Daily Papers

Large language models (LLMs) have been shown to be capable of impressive few-shot generalisation to new tasks. However, they still tend to perform poorly on multi-step logical reasoning problems. Here we carry out a comprehensive evaluation of LLMs on 50 tasks that probe different aspects of logical reasoning. We show that language models tend to perform fairly well at single step inference or entailment tasks, but struggle to chain together multiple reasoning steps to solve more complex problems. In light of this, we propose a Selection-Inference (SI) framework that exploits pre-trained LLMs as general processing modules, and alternates between selection and inference to generate a series of interpretable, casual reasoning steps leading to the final answer. We show that a 7B parameter LLM used within the SI framework in a 5-shot generalisation setting, with no fine-tuning, yields a performance improvement of over 100% compared to an equivalent vanilla baseline on a suite of 10 logical reasoning tasks. The same model in the same setting even outperforms a significantly larger 280B parameter baseline on the same suite of tasks. Moreover, answers produced by the SI framework are accompanied by a causal natural-language-based reasoning trace, which has important implications for the safety and trustworthiness of the system.

Exploiting large language models (LLMs) to tackle deductive reasoning has garnered growing attention. It still remains highly challenging to achieve satisfactory results in complex deductive problems, characterized by plenty of premises (i.e., facts or rules) entailing intricate relationships among entities and requiring multi-hop reasoning. One intuitive solution is to decompose the original task into smaller sub-tasks, and then chain the multiple casual reasoning steps together in a forward (e.g., Selection-Inference) or backward (e.g., LAMBADA) direction. However, these techniques inevitably necessitate a large number of overall stages, leading to computationally expensive operations and a higher possibility of making misleading steps. In addition to stage-by-stage decomposition, we draw inspiration from another aspect of human problem-solving. Humans tend to distill the most relevant information and organize their thoughts systematically (e.g., creating mind maps), which assists them in answering questions or drawing conclusions precisely and quickly. In light of this, we propose a novel reasoning approach named Concise and Organized Perception (COP). COP carefully analyzes the given statements to efficiently identify the most pertinent information while eliminating redundancy. It then prompts the LLMs in a more organized form that adapts to the model's inference process. By perceiving concise and organized proofs, the deductive reasoning abilities of LLMs can be better elicited, and the risk of acquiring errors caused by excessive reasoning stages is mitigated. Furthermore, our approach can be combined with the aforementioned ones to further boost their performance. Extensive experimental results on three popular deductive benchmarks (i.e., ProofWriter, PrOntoQA and PrOntoQA-OOD) show that COP significantly outperforms previous state-of-the-art methods.

Prompted models have demonstrated impressive few-shot learning abilities. Repeated interactions at test-time with a single model, or the composition of multiple models together, further expands capabilities. These compositions are probabilistic models, and may be expressed in the language of graphical models with random variables whose values are complex data types such as strings. Cases with control flow and dynamic structure require techniques from probabilistic programming, which allow implementing disparate model structures and inference strategies in a unified language. We formalize several existing techniques from this perspective, including scratchpads / chain of thought, verifiers, STaR, selection-inference, and tool use. We refer to the resulting programs as language model cascades.

We introduce a new family of particle evolution samplers suitable for constrained domains and non-Euclidean geometries. Stein Variational Mirror Descent and Mirrored Stein Variational Gradient Descent minimize the Kullback-Leibler (KL) divergence to constrained target distributions by evolving particles in a dual space defined by a mirror map. Stein Variational Natural Gradient exploits non-Euclidean geometry to more efficiently minimize the KL divergence to unconstrained targets. We derive these samplers from a new class of mirrored Stein operators and adaptive kernels developed in this work. We demonstrate that these new samplers yield accurate approximations to distributions on the simplex, deliver valid confidence intervals in post-selection inference, and converge more rapidly than prior methods in large-scale unconstrained posterior inference. Finally, we establish the convergence of our new procedures under verifiable conditions on the target distribution.

Remarkable progress has been made on automated reasoning with natural text, by using Language Models (LMs) and methods such as Chain-of-Thought and Selection-Inference. These techniques search for proofs in the forward direction from axioms to the conclusion, which suffers from a combinatorial explosion of the search space, and thus high failure rates for problems requiring longer chains of reasoning. The classical automated reasoning literature has shown that reasoning in the backward direction (i.e. from the intended conclusion to supporting axioms) is significantly more efficient at proof-finding. Importing this intuition into the LM setting, we develop a Backward Chaining algorithm, called LAMBADA, that decomposes reasoning into four sub-modules. These sub-modules are simply implemented by few-shot prompted LM inference. We show that LAMBADA achieves sizable accuracy boosts over state-of-the-art forward reasoning methods on challenging logical reasoning datasets, particularly when deep and accurate proof chains are required.

The inherent capabilities of a language model (LM) and the reasoning strategies it employs jointly determine its performance in reasoning tasks. While test-time scaling is regarded as an effective approach to tackling complex reasoning tasks, it incurs substantial computational costs and often leads to "overthinking", where models become trapped in "thought pitfalls". To address this challenge, we propose Route-To-Reason (RTR), a novel unified routing framework that dynamically allocates both LMs and reasoning strategies according to task difficulty under budget constraints. RTR learns compressed representations of both expert models and reasoning strategies, enabling their joint and adaptive selection at inference time. This method is low-cost, highly flexible, and can be seamlessly extended to arbitrary black-box or white-box models and strategies, achieving true plug-and-play functionality. Extensive experiments across seven open source models and four reasoning strategies demonstrate that RTR achieves an optimal trade-off between accuracy and computational efficiency among all baselines, achieving higher accuracy than the best single model while reducing token usage by over 60%.

Although contemporary large language models (LMs) demonstrate impressive question-answering capabilities, their answers are typically the product of a single call to the model. This entails an unwelcome degree of opacity and compromises performance, especially on problems that are inherently multi-step. To address these limitations, we show how LMs can be made to perform faithful multi-step reasoning via a process whose causal structure mirrors the underlying logical structure of the problem. Our approach works by chaining together reasoning steps, where each step results from calls to two fine-tuned LMs, one for selection and one for inference, to produce a valid reasoning trace. Our method carries out a beam search through the space of reasoning traces to improve reasoning quality. We demonstrate the effectiveness of our model on multi-step logical deduction and scientific question-answering, showing that it outperforms baselines on final answer accuracy, and generates humanly interpretable reasoning traces whose validity can be checked by the user.

As the size of deep learning models continues to grow, finding optimal models under memory and computation constraints becomes increasingly more important. Although usually the architecture and constituent building blocks of neural networks allow them to be used in a modular way, their training process is not aware of this modularity. Consequently, conventional neural network training lacks the flexibility to adapt the computational load of the model during inference. This paper proposes SortedNet, a generalized and scalable solution to harness the inherent modularity of deep neural networks across various dimensions for efficient dynamic inference. Our training considers a nested architecture for the sub-models with shared parameters and trains them together with the main model in a sorted and probabilistic manner. This sorted training of sub-networks enables us to scale the number of sub-networks to hundreds using a single round of training. We utilize a novel updating scheme during training that combines random sampling of sub-networks with gradient accumulation to improve training efficiency. Furthermore, the sorted nature of our training leads to a search-free sub-network selection at inference time; and the nested architecture of the resulting sub-networks leads to minimal storage requirement and efficient switching between sub-networks at inference. Our general dynamic training approach is demonstrated across various architectures and tasks, including large language models and pre-trained vision models. Experimental results show the efficacy of the proposed approach in achieving efficient sub-networks while outperforming state-of-the-art dynamic training approaches. Our findings demonstrate the feasibility of training up to 160 different sub-models simultaneously, showcasing the extensive scalability of our proposed method while maintaining 96% of the model performance.

Recent advances in large language models (LLMs) have stepped forward the development of multilingual speech and machine translation by its reduced representation errors and incorporated external knowledge. However, both translation tasks typically utilize beam search decoding and top-1 hypothesis selection for inference. These techniques struggle to fully exploit the rich information in the diverse N-best hypotheses, making them less optimal for translation tasks that require a single, high-quality output sequence. In this paper, we propose a new generative paradigm for translation tasks, namely "GenTranslate", which builds upon LLMs to generate better results from the diverse translation versions in N-best list. Leveraging the rich linguistic knowledge and strong reasoning abilities of LLMs, our new paradigm can integrate the rich information in N-best candidates to generate a higher-quality translation result. Furthermore, to support LLM finetuning, we build and release a HypoTranslate dataset that contains over 592K hypotheses-translation pairs in 11 languages. Experiments on various speech and machine translation benchmarks (e.g., FLEURS, CoVoST-2, WMT) demonstrate that our GenTranslate significantly outperforms the state-of-the-art model.

Model selection/optimization in conformal inference is challenging, since it may break the exchangeability between labeled and unlabeled data. We study this problem in the context of conformal selection, which uses conformal p-values to select ``interesting'' instances with large unobserved labels from a pool of unlabeled data, while controlling the FDR in finite sample. For validity, existing solutions require the model choice to be independent of the data used to construct the p-values and calibrate the selection set. However, when presented with many model choices and limited labeled data, it is desirable to (i) select the best model in a data-driven manner, and (ii) mitigate power loss due to sample splitting. This paper presents OptCS, a general framework that allows valid statistical testing (selection) after flexible data-driven model optimization. We introduce general conditions under which OptCS constructs valid conformal p-values despite substantial data reuse and handles complex p-value dependencies to maintain finite-sample FDR control via a novel multiple testing procedure. We instantiate this general recipe to propose three FDR-controlling procedures, each optimizing the models differently: (i) selecting the most powerful one among multiple pre-trained candidate models, (ii) using all data for model fitting without sample splitting, and (iii) combining full-sample model fitting and selection. We demonstrate the efficacy of our methods via simulation studies and real applications in drug discovery and alignment of large language models in radiology report generation.

There is growing demand for performing inference with hundreds of thousands of input tokens on trained transformer models. Inference at this extreme scale demands significant computational resources, hindering the application of transformers at long contexts on commodity (i.e not data center scale) hardware. To address the inference time costs associated with running self-attention based transformer language models on long contexts and enable their adoption on widely available hardware, we propose a tunable mechanism that reduces the cost of the forward pass by attending to only the most relevant tokens at every generation step using a top-k selection mechanism. We showcase the efficiency gains afforded by our method by performing inference on context windows up to 1M tokens using approximately 16GB of GPU RAM. Our experiments reveal that models are capable of handling the sparsity induced by the reduced number of keys and values. By attending to less than 2% of input tokens, we achieve over 95% of model performance on common benchmarks (RULER, AlpacaEval, and Open LLM Leaderboard).

We study the problem of model selection in causal inference, specifically for the case of conditional average treatment effect (CATE) estimation under binary treatments. Unlike model selection in machine learning, there is no perfect analogue of cross-validation as we do not observe the counterfactual potential outcome for any data point. Towards this, there have been a variety of proxy metrics proposed in the literature, that depend on auxiliary nuisance models estimated from the observed data (propensity score model, outcome regression model). However, the effectiveness of these metrics has only been studied on synthetic datasets as we can access the counterfactual data for them. We conduct an extensive empirical analysis to judge the performance of these metrics introduced in the literature, and novel ones introduced in this work, where we utilize the latest advances in generative modeling to incorporate multiple realistic datasets. Our analysis suggests novel model selection strategies based on careful hyperparameter tuning of CATE estimators and causal ensembling.

Text-to-image diffusion models have achieved remarkable success, yet generating coherent image sequences for visual storytelling remains challenging. A key challenge is effectively leveraging all previous text-image pairs, referred to as history text-image pairs, which provide contextual information for maintaining consistency across frames. Existing auto-regressive methods condition on all past image-text pairs but require extensive training, while training-free subject-specific approaches ensure consistency but lack adaptability to narrative prompts. To address these limitations, we propose a multi-modal history adapter for text-to-image diffusion models, ViSTA. It consists of (1) a multi-modal history fusion module to extract relevant history features and (2) a history adapter to condition the generation on the extracted relevant features. We also introduce a salient history selection strategy during inference, where the most salient history text-image pair is selected, improving the quality of the conditioning. Furthermore, we propose to employ a Visual Question Answering-based metric TIFA to assess text-image alignment in visual storytelling, providing a more targeted and interpretable assessment of generated images. Evaluated on the StorySalon and FlintStonesSV dataset, our proposed ViSTA model is not only consistent across different frames, but also well-aligned with the narrative text descriptions.

Recent advancements in video large multimodal models (LMMs) have significantly improved their video understanding and reasoning capabilities. However, their performance drops on out-of-distribution (OOD) tasks that are underrepresented in training data. Traditional methods like fine-tuning on OOD datasets are impractical due to high computational costs. While In-context learning (ICL) with demonstration examples has shown promising generalization performance in language tasks and image-language tasks without fine-tuning, applying ICL to video-language tasks faces challenges due to the limited context length in Video LMMs, as videos require longer token lengths. To address these issues, we propose VideoICL, a novel video in-context learning framework for OOD tasks that introduces a similarity-based relevant example selection strategy and a confidence-based iterative inference approach. This allows to select the most relevant examples and rank them based on similarity, to be used for inference. If the generated response has low confidence, our framework selects new examples and performs inference again, iteratively refining the results until a high-confidence response is obtained. This approach improves OOD video understanding performance by extending effective context length without incurring high costs. The experimental results on multiple benchmarks demonstrate significant performance gains, especially in domain-specific scenarios, laying the groundwork for broader video comprehension applications. Code will be released at https://github.com/KangsanKim07/VideoICL

The popularity of transformer-based text embeddings calls for better statistical tools for measuring distributions of such embeddings. One such tool would be a method for ranking texts within a corpus by centrality, i.e. assigning each text a number signifying how representative that text is of the corpus as a whole. However, an intrinsic center-outward ordering of high-dimensional text representations is not trivial. A statistical depth is a function for ranking k-dimensional objects by measuring centrality with respect to some observed k-dimensional distribution. We adopt a statistical depth to measure distributions of transformer-based text embeddings, transformer-based text embedding (TTE) depth, and introduce the practical use of this depth for both modeling and distributional inference in NLP pipelines. We first define TTE depth and an associated rank sum test for determining whether two corpora differ significantly in embedding space. We then use TTE depth for the task of in-context learning prompt selection, showing that this approach reliably improves performance over statistical baseline approaches across six text classification tasks. Finally, we use TTE depth and the associated rank sum test to characterize the distributions of synthesized and human-generated corpora, showing that five recent synthetic data augmentation processes cause a measurable distributional shift away from associated human-generated text.

We show that there is a general, informative and reliable procedure for discovering causal relations when, for all the investigator knows, both latent variables and selection bias may be at work. Given information about conditional independence and dependence relations between measured variables, even when latent variables and selection bias may be present, there are sufficient conditions for reliably concluding that there is a causal path from one variable to another, and sufficient conditions for reliably concluding when no such causal path exists.

Transformers have emerged as the underpinning architecture for Large Language Models (LLMs). In generative language models, the inference process involves two primary phases: prompt processing and token generation. Token generation, which constitutes the majority of the computational workload, primarily entails vector-matrix multiplications and interactions with the Key-Value (KV) Cache. This phase is constrained by memory bandwidth due to the overhead of transferring weights and KV cache values from the memory system to the computing units. This memory bottleneck becomes particularly pronounced in applications that require long-context and extensive text generation, both of which are increasingly crucial for LLMs. This paper introduces "Keyformer", an innovative inference-time approach, to mitigate the challenges associated with KV cache size and memory bandwidth utilization. Keyformer leverages the observation that approximately 90% of the attention weight in generative inference focuses on a specific subset of tokens, referred to as "key" tokens. Keyformer retains only the key tokens in the KV cache by identifying these crucial tokens using a novel score function. This approach effectively reduces both the KV cache size and memory bandwidth usage without compromising model accuracy. We evaluate Keyformer's performance across three foundational models: GPT-J, Cerebras-GPT, and MPT, which employ various positional embedding algorithms. Our assessment encompasses a variety of tasks, with a particular emphasis on summarization and conversation tasks involving extended contexts. Keyformer's reduction of KV cache reduces inference latency by 2.1x and improves token generation throughput by 2.4x, while preserving the model's accuracy.

With the advancements in long-context inference capabilities of large language models (LLMs), the KV cache has become one of the foundational components. However, its substantial GPU memory consumption makes KV cache compression a key technique for enabling efficient LLM inference in industrial scenarios. While recent studies have focused on optimizing the memory occupied by the KV cache, they overlook two critical factors: preserving semantic coherence and considering task-specific characteristic during compression. To address these limitations, we propose a novel task-adaptive KV cache window selection method, WindowKV. WindowKV dynamically selects local semantic windows consisting of consecutive tokens, according to task-specific characteristics, ensuring the retained KV cache captures continuous, essential context. Additionally, we introduce an intra-group layer KV cache indices sharing strategy to reduce computational overhead, achieving a balance between performance and efficiency. We rigorously evaluate WindowKV on the LongBench benchmark, and the results demonstrate that it maintains a performance comparable to full KV cache retention while using only 12% of the original KV cache, significantly reducing memory requirements. Furthermore, our method also achieves state-of-the-art results in the Needle-in-a-Haystack evaluation, highlighting its effectiveness and robustness.

With the development of large language models (LLMs), the ability to handle longer contexts has become a key capability for Web applications such as cross-document understanding and LLM-powered search systems. However, this progress faces two major challenges: performance degradation due to sequence lengths out-of-distribution, and excessively long inference times caused by the quadratic computational complexity of attention. These issues hinder the application of LLMs in long-context scenarios. In this paper, we propose Dynamic Token-Level KV Cache Selection (TokenSelect), a model-agnostic, training-free method for efficient and accurate long-context inference. TokenSelect builds upon the observation of non-contiguous attention sparsity, using Query-Key dot products to measure per-head KV Cache criticality at token-level. By per-head soft voting mechanism, TokenSelect selectively involves a small number of critical KV cache tokens in the attention calculation without sacrificing accuracy. To further accelerate TokenSelect, we designed the Selection Cache based on observations of consecutive Query similarity and implemented efficient dot product kernel, significantly reducing the overhead of token selection. A comprehensive evaluation of TokenSelect demonstrates up to 23.84x speedup in attention computation and up to 2.28x acceleration in end-to-end latency, while providing superior performance compared to state-of-the-art long-context inference methods.

Mixture-of-Experts (MoE) has demonstrated promising potential in scaling LLMs. However, it is hindered by two critical challenges: (1) substantial GPU memory consumption to load all experts; (2) low activated parameters cannot be equivalently translated into inference acceleration effects. In this work, we propose EAC-MoE, an Expert-Selection Aware Compressor for MoE-LLMs, which deeply aligns with the characteristics of MoE from the perspectives of quantization and pruning, and introduces two modules to address these two challenges respectively: (1) The expert selection bias caused by low-bit quantization is a major factor contributing to the performance degradation in MoE-LLMs. Based on this, we propose Quantization with Expert-Selection Calibration (QESC), which mitigates the expert selection bias by calibrating the routers within the MoE; (2) There are always certain experts that are not crucial for the corresponding tasks, yet causing inference latency. Therefore, we propose Pruning based on Expert-Selection Frequency (PESF), which significantly improves inference speed by pruning less frequently used experts for current task. Extensive experiments demonstrate that our approach significantly reduces memory usage and improves inference speed with minimal performance degradation.

A Membership Inference Attack (MIA) assesses how much a trained machine learning model reveals about its training data by determining whether specific query instances were included in the dataset. We classify existing MIAs into adaptive or non-adaptive, depending on whether the adversary is allowed to train shadow models on membership queries. In the adaptive setting, where the adversary can train shadow models after accessing query instances, we highlight the importance of exploiting membership dependencies between instances and propose an attack-agnostic framework called Cascading Membership Inference Attack (CMIA), which incorporates membership dependencies via conditional shadow training to boost membership inference performance. In the non-adaptive setting, where the adversary is restricted to training shadow models before obtaining membership queries, we introduce Proxy Membership Inference Attack (PMIA). PMIA employs a proxy selection strategy that identifies samples with similar behaviors to the query instance and uses their behaviors in shadow models to perform a membership posterior odds test for membership inference. We provide theoretical analyses for both attacks, and extensive experimental results demonstrate that CMIA and PMIA substantially outperform existing MIAs in both settings, particularly in the low false-positive regime, which is crucial for evaluating privacy risks.

Scaling laws are powerful tools to predict the performance of large language models. However, current scaling laws fall short of accounting for inference costs. In this work, we first show that model architecture affects inference latency, where models of the same size can have up to 3.5x difference in latency. To tackle this challenge, we modify the Chinchilla scaling laws to co-optimize the model parameter count, the number of training tokens, and the model architecture. Due to the reason that models of similar training loss exhibit gaps in downstream evaluation, we also propose a novel method to train inference-efficient models based on the revised scaling laws. We perform extensive empirical studies to fit and evaluate our inference-aware scaling laws. We vary model parameters from 80M to 1B, training tokens from 1.6B to 30B, and model shapes, training a total of 63 models. Guided by our inference-efficient scaling law and model selection method, we release the Morph-1B model, which improves inference latency by 1.8x while maintaining accuracy on downstream tasks compared to open-source models, pushing the Pareto frontier of accuracy-latency tradeoff.

Inference tasks such as answer sentence selection (AS2) or fact verification are typically solved by fine-tuning transformer-based models as individual sentence-pair classifiers. Recent studies show that these tasks benefit from modeling dependencies across multiple candidate sentences jointly. In this paper, we first show that popular pre-trained transformers perform poorly when used for fine-tuning on multi-candidate inference tasks. We then propose a new pre-training objective that models the paragraph-level semantics across multiple input sentences. Our evaluation on three AS2 and one fact verification datasets demonstrates the superiority of our pre-training technique over the traditional ones for transformers used as joint models for multi-candidate inference tasks, as well as when used as cross-encoders for sentence-pair formulations of these tasks. Our code and pre-trained models are released at https://github.com/amazon-research/wqa-multi-sentence-inference .

Natural language inference (NLI) is a fundamental NLP task, investigating the entailment relationship between two texts. Popular NLI datasets present the task at sentence-level. While adequate for testing semantic representations, they fall short for testing contextual reasoning over long texts, which is a natural part of the human inference process. We introduce ConTRoL, a new dataset for ConTextual Reasoning over Long texts. Consisting of 8,325 expert-designed "context-hypothesis" pairs with gold labels, ConTRoL is a passage-level NLI dataset with a focus on complex contextual reasoning types such as logical reasoning. It is derived from competitive selection and recruitment test (verbal reasoning test) for police recruitment, with expert level quality. Compared with previous NLI benchmarks, the materials in ConTRoL are much more challenging, involving a range of reasoning types. Empirical results show that state-of-the-art language models perform by far worse than educated humans. Our dataset can also serve as a testing-set for downstream tasks like Checking Factual Correctness of Summaries.

The choice of initial noise significantly affects the quality and prompt alignment of video diffusion models, where different noise seeds for the same prompt can lead to drastically different generations. While recent methods rely on externally designed priors such as frequency filters or inter-frame smoothing, they often overlook internal model signals that indicate which noise seeds are inherently preferable. To address this, we propose ANSE (Active Noise Selection for Generation), a model-aware framework that selects high-quality noise seeds by quantifying attention-based uncertainty. At its core is BANSA (Bayesian Active Noise Selection via Attention), an acquisition function that measures entropy disagreement across multiple stochastic attention samples to estimate model confidence and consistency. For efficient inference-time deployment, we introduce a Bernoulli-masked approximation of BANSA that enables score estimation using a single diffusion step and a subset of attention layers. Experiments on CogVideoX-2B and 5B demonstrate that ANSE improves video quality and temporal coherence with only an 8% and 13% increase in inference time, respectively, providing a principled and generalizable approach to noise selection in video diffusion. See our project page: https://anse-project.github.io/anse-project/

The emergence of Multimodal Large Language Models (MLLMs) has driven significant advances in Graphical User Interface (GUI) agent capabilities. Nevertheless, existing GUI agent training and inference techniques still suffer from a dilemma for reasoning designs, ineffective reward, and visual noise. To address these issues, we introduce UI-AGILE, a comprehensive framework enhancing GUI agents at both the training and inference stages. For training, we propose a suite of improvements to the Supervised Fine-Tuning (SFT) process: 1) a Continuous Reward function to incentivize high-precision grounding; 2) a "Simple Thinking" reward to balance planning with speed and grounding accuracy; and 3) a Cropping-based Resampling strategy to mitigate the sparse reward problem and improve learning on complex tasks. For inference, we present Decomposed Grounding with Selection, a novel method that dramatically improves grounding accuracy on high-resolution displays by breaking the image into smaller, manageable parts. Experiments show that UI-AGILE achieves the state-of-the-art performance on two benchmarks ScreenSpot-Pro and ScreenSpot-v2. For instance, using both our proposed training and inference enhancement methods brings 23% grounding accuracy improvement over the best baseline on ScreenSpot-Pro.

In-context learning (ICL) facilitates large language models (LLMs) exhibiting spectacular emergent capabilities in various scenarios. Unfortunately, introducing demonstrations easily makes the prompt length explode, bringing a significant burden to hardware. In addition, random demonstrations usually achieve limited improvements in ICL, necessitating demonstration selection among accessible candidates. Previous studies introduce extra modules to perform demonstration compression or selection independently. In this paper, we propose an ICL framework UniICL, which Unifies demonstration selection and compression, and final response generation via a single frozen LLM. Specifically, UniICL first projects actual demonstrations and inference text inputs into short virtual tokens, respectively. Then, virtual tokens are applied to select suitable demonstrations by measuring semantic similarity within latent space among candidate demonstrations and inference input. Finally, inference text inputs together with selected virtual demonstrations are fed into the same frozen LLM for response generation. Notably, UniICL is a parameter-efficient framework that only contains 17M trainable parameters originating from the projection layer. We conduct experiments and analysis over in- and out-domain datasets of both generative and understanding tasks, encompassing ICL scenarios with plentiful and limited demonstration candidates. Results show that UniICL effectively unifies 12 times compression, demonstration selection, and response generation, efficiently scaling up the baseline from 4-shot to 64-shot ICL in IMDb with 24 GB CUDA allocation

The growth of the Machine-Learning-As-A-Service (MLaaS) market has highlighted clients' data privacy and security issues. Private inference (PI) techniques using cryptographic primitives offer a solution but often have high computation and communication costs, particularly with non-linear operators like ReLU. Many attempts to reduce ReLU operations exist, but they may need heuristic threshold selection or cause substantial accuracy loss. This work introduces AutoReP, a gradient-based approach to lessen non-linear operators and alleviate these issues. It automates the selection of ReLU and polynomial functions to speed up PI applications and introduces distribution-aware polynomial approximation (DaPa) to maintain model expressivity while accurately approximating ReLUs. Our experimental results demonstrate significant accuracy improvements of 6.12% (94.31%, 12.9K ReLU budget, CIFAR-10), 8.39% (74.92%, 12.9K ReLU budget, CIFAR-100), and 9.45% (63.69%, 55K ReLU budget, Tiny-ImageNet) over current state-of-the-art methods, e.g., SNL. Morever, AutoReP is applied to EfficientNet-B2 on ImageNet dataset, and achieved 75.55% accuracy with 176.1 times ReLU budget reduction.

We propose TETRIS, a novel method that optimizes the total throughput of batch speculative decoding in multi-request settings. Unlike existing methods that optimize for a single request or a group of requests as a whole, TETRIS actively selects the most promising draft tokens (for every request in a batch) to be accepted when verified in parallel, resulting in fewer rejected tokens and hence less wasted computing resources. Such an effective resource utilization to achieve fast inference in large language models (LLMs) is especially important to service providers with limited inference capacity. Compared to baseline speculative decoding, TETRIS yields a consistently higher acceptance rate and more effective utilization of the limited inference capacity. We show theoretically and empirically that TETRIS outperforms baseline speculative decoding and existing methods that dynamically select draft tokens, leading to a more efficient batch inference in LLMs.

Large language models (LLMs) have demonstrated remarkable capabilities across a wide range of natural language processing tasks. Exploiting the heterogeneous capabilities of edge LLMs is crucial for diverse emerging applications, as it enables greater cost-effectiveness and reduced latency. In this work, we introduce Mixture-of-Edge-Experts (MoE^2), a novel collaborative inference framework for edge LLMs. We formulate the joint gating and expert selection problem to optimize inference performance under energy and latency constraints. Unlike conventional MoE problems, LLM expert selection is significantly more challenging due to the combinatorial nature and the heterogeneity of edge LLMs across various attributes. To this end, we propose a two-level expert selection mechanism through which we uncover an optimality-preserving property of gating parameters across expert selections. This property enables the decomposition of the training and selection processes, significantly reducing complexity. Furthermore, we leverage the objective's monotonicity and design a discrete monotonic optimization algorithm for optimal expert selection. We implement edge servers with NVIDIA Jetson AGX Orins and NVIDIA RTX 4090 GPUs, and perform extensive experiments. Our results validate that performance improvements of various LLM models and show that our MoE^2 method can achieve optimal trade-offs among different delay and energy budgets, and outperforms baselines under various system resource constraints.

The deployment of large-scale models, such as large language models (LLMs) and sophisticated image generation systems, incurs substantial costs due to their computational demands. To mitigate these costs and address challenges related to scalability and data security, there is a growing shift towards decentralized systems for deploying such models. In these decentralized environments, efficient inference acceleration becomes crucial to manage computational resources effectively and enhance system responsiveness. In this work, we address the challenge of selecting optimal acceleration methods in decentralized systems by introducing a meta-learning-based framework. This framework automates the selection process by learning from historical performance data of various acceleration techniques across different tasks. Unlike traditional methods that rely on random selection or expert intuition, our approach systematically identifies the best acceleration strategies based on the specific characteristics of each task. We demonstrate that our meta-learning framework not only streamlines the decision-making process but also consistently outperforms conventional methods in terms of efficiency and performance. Our results highlight the potential of meta-learning to revolutionize inference acceleration in decentralized AI systems, offering a path towards more democratic and economically feasible artificial intelligence solutions.

Bayesian neural networks (BNNs) offer uncertainty quantification but come with the downside of substantially increased training and inference costs. Sparse BNNs have been investigated for efficient inference, typically by either slowly introducing sparsity throughout the training or by post-training compression of dense BNNs. The dilemma of how to cut down massive training costs remains, particularly given the requirement to learn about the uncertainty. To solve this challenge, we introduce Sparse Subspace Variational Inference (SSVI), the first fully sparse BNN framework that maintains a consistently highly sparse Bayesian model throughout the training and inference phases. Starting from a randomly initialized low-dimensional sparse subspace, our approach alternately optimizes the sparse subspace basis selection and its associated parameters. While basis selection is characterized as a non-differentiable problem, we approximate the optimal solution with a removal-and-addition strategy, guided by novel criteria based on weight distribution statistics. Our extensive experiments show that SSVI sets new benchmarks in crafting sparse BNNs, achieving, for instance, a 10-20x compression in model size with under 3\% performance drop, and up to 20x FLOPs reduction during training compared with dense VI training. Remarkably, SSVI also demonstrates enhanced robustness to hyperparameters, reducing the need for intricate tuning in VI and occasionally even surpassing VI-trained dense BNNs on both accuracy and uncertainty metrics.

The capability to generate responses with diversity and faithfulness using factual knowledge is paramount for creating a human-like, trustworthy dialogue system. Common strategies either adopt a two-step paradigm, which optimizes knowledge selection and response generation separately, and may overlook the inherent correlation between these two tasks, or leverage conditional variational method to jointly optimize knowledge selection and response generation by employing an inference network. In this paper, we present an end-to-end learning framework, termed Sequential Posterior Inference (SPI), capable of selecting knowledge and generating dialogues by approximately sampling from the posterior distribution. Unlike other methods, SPI does not require the inference network or assume a simple geometry of the posterior distribution. This straightforward and intuitive inference procedure of SPI directly queries the response generation model, allowing for accurate knowledge selection and generation of faithful responses. In addition to modeling contributions, our experimental results on two common dialogue datasets (Wizard of Wikipedia and Holl-E) demonstrate that SPI outperforms previous strong baselines according to both automatic and human evaluation metrics.

In this paper we construct an inferential procedure for Granger causality in high-dimensional non-stationary vector autoregressive (VAR) models. Our method does not require knowledge of the order of integration of the time series under consideration. We augment the VAR with at least as many lags as the suspected maximum order of integration, an approach which has been proven to be robust against the presence of unit roots in low dimensions. We prove that we can restrict the augmentation to only the variables of interest for the testing, thereby making the approach suitable for high dimensions. We combine this lag augmentation with a post-double-selection procedure in which a set of initial penalized regressions is performed to select the relevant variables for both the Granger causing and caused variables. We then establish uniform asymptotic normality of a second-stage regression involving only the selected variables. Finite sample simulations show good performance, an application to investigate the (predictive) causes and effects of economic uncertainty illustrates the need to allow for unknown orders of integration.

A wide variety of model explanation approaches have been proposed in recent years, all guided by very different rationales and heuristics. In this paper, we take a new route and cast interpretability as a statistical inference problem. We propose a general deep probabilistic model designed to produce interpretable predictions. The model parameters can be learned via maximum likelihood, and the method can be adapted to any predictor network architecture and any type of prediction problem. Our method is a case of amortized interpretability models, where a neural network is used as a selector to allow for fast interpretation at inference time. Several popular interpretability methods are shown to be particular cases of regularised maximum likelihood for our general model. We propose new datasets with ground truth selection which allow for the evaluation of the features importance map. Using these datasets, we show experimentally that using multiple imputation provides more reasonable interpretations.

Vision-Language Models (VLMs) demonstrate impressive performance in understanding visual content with language instruction by converting visual input to vision tokens. However, redundancy in vision tokens results in the degenerated inference efficiency of VLMs. While many algorithms have been proposed to reduce the number of vision tokens, most of them apply only unimodal information (i.e., vision/text) for pruning and ignore the inherent multimodal property of vision-language tasks. Moreover, it lacks a generic criterion that can be applied to different modalities. To mitigate this limitation, in this work, we propose to leverage both vision and text tokens to select informative vision tokens by the criterion of coverage. We first formulate the subset selection problem as a maximum coverage problem. Afterward, a subset of vision tokens is optimized to cover the text tokens and the original set of vision tokens, simultaneously. Finally, a VLM agent can be adopted to further improve the quality of text tokens for guiding vision pruning. The proposed method MMTok is extensively evaluated on benchmark datasets with different VLMs. The comparison illustrates that vision and text information are complementary, and combining multimodal information can surpass the unimodal baseline with a clear margin. Moreover, under the maximum coverage criterion on the POPE dataset, our method achieves a 1.87x speedup while maintaining 98.7% of the original performance on LLaVA-NeXT-13B. Furthermore, with only four vision tokens, it still preserves 87.7% of the original performance on LLaVA-1.5-7B. These results highlight the effectiveness of coverage in token selection.

Recent advancements in large language models (LLMs) have shifted focus toward scaling inference-time compute, improving performance without retraining the model. A common approach is to sample multiple outputs in parallel, and select one of these as the final output. However, work to date has focused on English and a handful of domains such as math and code. In contrast, we are most interested in techniques that generalize across open-ended tasks, formally verifiable tasks, and across languages. In this work, we study how to robustly scale inference-time compute for open-ended generative tasks in a multilingual, multi-task setting. Our findings show that both sampling strategy based on temperature variation and selection strategy must be adapted to account for diverse domains and varied language settings. We evaluate existing selection methods, revealing that strategies effective in English often fail to generalize across languages. We propose novel sampling and selection strategies specifically adapted for multilingual and multi-task inference scenarios, and show they yield notable gains across languages and tasks. In particular, our combined sampling and selection methods lead to an average +6.8 jump in win-rates for our 8B models on m-ArenaHard-v2.0 prompts, against proprietary models such as Gemini. At larger scale, Command-A (111B model) equipped with our methods, shows +9.0 improvement in win-rates on the same benchmark with just five samples against single-sample decoding, a substantial increase at minimal cost. Our results underscore the need for language- and task-aware approaches to inference-time compute, aiming to democratize performance improvements in underrepresented languages.

The recent detection of nanohertz stochastic gravitational-wave backgrounds (SGWBs) by pulsar timing arrays (PTAs) promises unique insights into astrophysical and cosmological origins. However, traditional Markov Chain Monte Carlo (MCMC) approaches become prohibitively expensive for large datasets. We employ a normalizing flow (NF)-based machine learning framework to accelerate Bayesian inference in PTA analyses. For the first time, we perform Bayesian model comparison across SGWB source models in the framework of machine learning by training NF architectures on the PTA dataset (NANOGrav 15-year) and enabling direct evidence estimation via learned harmonic mean estimators. Our examples include 10 conventional SGWB source models such as supermassive black hole binaries, power-law spectrum, cosmic strings, domain walls, scalar-induced GWs, first-order phase transitions, and dual scenario/inflationary gravitational wave. Our approach jointly infers 20 red noise parameters and 2 SGWB parameters per model in sim 20\,hours (including training), compared to sim 10\,days with MCMC. Critically, the NF method preserves rigorous model selection accuracy, with small Hellinger distances (lesssim 0.3) relative to MCMC posteriors, and reproduces MCMC-based Bayes factors across all tested scenarios. This scalable technique for SGWB source comparison will be essential for future PTA expansions and next-generation arrays such as the SKA, offering orders-of-magnitude efficiency gains without sacrificing physical interpretability.

Private large language model (LLM) inference based on secure multi-party computation (MPC) offers cryptographically-secure protection for both user prompt and proprietary model weights. However, it suffers from large latency overhead especially for long input sequences. While key-value (KV) cache eviction algorithms have been proposed to reduce the computation and memory cost for plaintext inference, they are not designed for MPC and cannot benefit private inference easily. In this paper, we propose an accurate and MPC-friendly KV cache eviction framework, dubbed MPCache. MPCache is built on the observation that historical tokens in a long sequence may have different effects on the downstream decoding. Hence, MPCache combines a look-once static eviction algorithm to discard unimportant tokens and a query-aware dynamic selection algorithm to further select a small subset of tokens for attention computation. As existing dynamic selection algorithms incur too much latency, we propose a series of optimizations to drastically reduce the KV cache selection overhead, including MPC-friendly similarity approximation, hierarchical KV cache clustering, and cross-layer index sharing strategy. With extensive experiments, we demonstrate that MPCache consistently outperforms prior-art KV cache eviction baselines across different LLM generation tasks and achieves 1.8~2.01x and 3.39~8.37x decoding latency and communication reduction on different sequence lengths, respectively.

Large transformer-based language models have been shown to be very effective in many classification tasks. However, their computational complexity prevents their use in applications requiring the classification of a large set of candidates. While previous works have investigated approaches to reduce model size, relatively little attention has been paid to techniques to improve batch throughput during inference. In this paper, we introduce the Cascade Transformer, a simple yet effective technique to adapt transformer-based models into a cascade of rankers. Each ranker is used to prune a subset of candidates in a batch, thus dramatically increasing throughput at inference time. Partial encodings from the transformer model are shared among rerankers, providing further speed-up. When compared to a state-of-the-art transformer model, our approach reduces computation by 37% with almost no impact on accuracy, as measured on two English Question Answering datasets.

The Evidence Lower Bound (ELBO) is a quantity that plays a key role in variational inference. It can also be used as a criterion in model selection. However, though extremely popular in practice in the variational Bayes community, there has never been a general theoretic justification for selecting based on the ELBO. In this paper, we show that the ELBO maximization strategy has strong theoretical guarantees, and is robust to model misspecification while most works rely on the assumption that one model is correctly specified. We illustrate our theoretical results by an application to the selection of the number of principal components in probabilistic PCA.

Generative models have made significant impacts across various domains, largely due to their ability to scale during training by increasing data, computational resources, and model size, a phenomenon characterized by the scaling laws. Recent research has begun to explore inference-time scaling behavior in Large Language Models (LLMs), revealing how performance can further improve with additional computation during inference. Unlike LLMs, diffusion models inherently possess the flexibility to adjust inference-time computation via the number of denoising steps, although the performance gains typically flatten after a few dozen. In this work, we explore the inference-time scaling behavior of diffusion models beyond increasing denoising steps and investigate how the generation performance can further improve with increased computation. Specifically, we consider a search problem aimed at identifying better noises for the diffusion sampling process. We structure the design space along two axes: the verifiers used to provide feedback, and the algorithms used to find better noise candidates. Through extensive experiments on class-conditioned and text-conditioned image generation benchmarks, our findings reveal that increasing inference-time compute leads to substantial improvements in the quality of samples generated by diffusion models, and with the complicated nature of images, combinations of the components in the framework can be specifically chosen to conform with different application scenario.

Large language models (LLMs) can store a significant amount of factual knowledge in their parameters. However, their parametric knowledge may conflict with the information provided in the context -- this phenomenon, known as context-memory knowledge conflicts, can lead to undesirable model behaviour, such as reliance on outdated or incorrect information. Analysing the internal activations of LLMs, we find that they can internally register the signals of knowledge conflict at mid-layers. Such signals allow us to detect whether a knowledge conflict occurs and use inference-time intervention strategies to resolve it. In this work, we propose SpARE, a training-free representation engineering method that uses pre-trained sparse auto-encoders (SAEs) to control the knowledge selection behaviour of LLMs. SpARE identifies the functional features that control the knowledge selection behaviours and applies them to edit the internal activations of LLMs at inference time. Our experimental results show that SpARE can effectively control the usage of either knowledge source to resolve knowledge conflict in open-domain question-answering tasks, surpassing existing representation engineering methods (+10%) as well as contrastive decoding methods (+15%).

A broad range of NLP tasks involve selecting relevant text spans from given source texts. Despite this shared objective, such content selection tasks have traditionally been studied in isolation, each with its own modeling approaches, datasets, and evaluation metrics. In this work, we propose instruction-guided content selection (IGCS) as a beneficial unified framework for such settings, where the task definition and any instance-specific request are encapsulated as instructions to a language model. To promote this framework, we introduce , the first unified benchmark covering diverse content selection tasks. Further, we create a large generic synthetic dataset that can be leveraged for diverse content selection tasks, and show that transfer learning with these datasets often boosts performance, whether dedicated training for the targeted task is available or not. Finally, we address generic inference time issues that arise in LLM-based modeling of content selection, assess a generic evaluation metric, and overall propose the utility of our resources and methods for future content selection models. Models and datasets available at https://github.com/shmuelamar/igcs.

As the demand for long-context large language models (LLMs) increases, models with context windows of up to 128K or 1M tokens are becoming increasingly prevalent. However, long-context LLM inference is challenging since the inference speed decreases significantly as the sequence length grows. This slowdown is primarily caused by loading a large KV cache during self-attention. Previous works have shown that a small portion of critical tokens will dominate the attention outcomes. However, we observe the criticality of a token highly depends on the query. To this end, we propose Quest, a query-aware KV cache selection algorithm. Quest keeps track of the minimal and maximal Key values in KV cache pages and estimates the criticality of a given page using Query vectors. By only loading the Top-K critical KV cache pages for attention, Quest significantly speeds up self-attention without sacrificing accuracy. We show that Quest can achieve up to 2.23x self-attention speedup, which reduces inference latency by 7.03x while performing well on tasks with long dependencies with negligible accuracy loss. Code is available at http://github.com/mit-han-lab/Quest .

Sparse Autoencoders (SAEs) can extract interpretable features from large language models (LLMs) without supervision. However, their effectiveness in downstream steering tasks is limited by the requirement for contrastive datasets or large activation storage. To address these limitations, we propose CorrSteer, which selects features by correlating sample correctness with SAE activations from generated tokens at inference time. This approach uses only inference-time activations to extract more relevant features, thereby avoiding spurious correlations. It also obtains steering coefficients from average activations, automating the entire pipeline. Our method shows improved task performance on QA, bias mitigation, jailbreaking prevention, and reasoning benchmarks on Gemma 2 2B and LLaMA 3.1 8B, notably achieving a +4.1% improvement in MMLU performance and a +22.9% improvement in HarmBench with only 4000 samples. Selected features demonstrate semantically meaningful patterns aligned with each task's requirements, revealing the underlying capabilities that drive performance. Our work establishes correlationbased selection as an effective and scalable approach for automated SAE steering across language model applications.

Large language models (LLMs) encounter computational challenges during long-sequence inference, especially in the attention pre-filling phase, where the complexity grows quadratically with the prompt length. Previous efforts to mitigate these challenges have relied on fixed sparse attention patterns or identifying sparse attention patterns based on limited cases. However, these methods lacked the flexibility to efficiently adapt to varying input demands. In this paper, we introduce FlexPrefill, a Flexible sparse Pre-filling mechanism that dynamically adjusts sparse attention patterns and computational budget in real-time to meet the specific requirements of each input and attention head. The flexibility of our method is demonstrated through two key innovations: 1) Query-Aware Sparse Pattern Determination: By measuring Jensen-Shannon divergence, this component adaptively switches between query-specific diverse attention patterns and predefined attention patterns. 2) Cumulative-Attention Based Index Selection: This component dynamically selects query-key indexes to be computed based on different attention patterns, ensuring the sum of attention scores meets a predefined threshold. FlexPrefill adaptively optimizes the sparse pattern and sparse ratio of each attention head based on the prompt, enhancing efficiency in long-sequence inference tasks. Experimental results show significant improvements in both speed and accuracy over prior methods, providing a more flexible and efficient solution for LLM inference.

Diacritization plays a pivotal role in improving readability and disambiguating the meaning of Arabic texts. Efforts have so far focused on marking every eligible character (Full Diacritization). Comparatively overlooked, Partial Diacritzation (PD) is the selection of a subset of characters to be marked to aid comprehension where needed. Research has indicated that excessive diacritic marks can hinder skilled readers--reducing reading speed and accuracy. We conduct a behavioral experiment and show that partially marked text is often easier to read than fully marked text, and sometimes easier than plain text. In this light, we introduce Context-Contrastive Partial Diacritization (CCPD)--a novel approach to PD which integrates seamlessly with existing Arabic diacritization systems. CCPD processes each word twice, once with context and once without, and diacritizes only the characters with disparities between the two inferences. Further, we introduce novel indicators for measuring partial diacritization quality (SR, PDER, HDER, ERE), essential for establishing this as a machine learning task. Lastly, we introduce TD2, a Transformer-variant of an established model which offers a markedly different per formance profile on our proposed indicators compared to all other known systems.

As large language models (LLMs) tackle increasingly complex tasks and longer documents, their computational and memory costs during inference become a major bottleneck. To address this, we propose PromptDistill, a novel, training-free method that improves inference efficiency while preserving generation quality. PromptDistill identifies and retains the most informative tokens by leveraging attention interactions in early layers, preserving their hidden states while reducing the computational burden in later layers. This allows the model to focus on essential contextual information without fully processing all tokens. Unlike previous methods such as H2O and SnapKV, which perform compression only after processing the entire input, or GemFilter, which selects a fixed portion of the initial prompt without considering contextual dependencies, PromptDistill dynamically allocates computational resources to the most relevant tokens while maintaining a global awareness of the input. Experiments using our method and baseline approaches with base models such as LLaMA 3.1 8B Instruct, Phi 3.5 Mini Instruct, and Qwen2 7B Instruct on benchmarks including LongBench, InfBench, and Needle in a Haystack demonstrate that PromptDistill significantly improves efficiency while having minimal impact on output quality compared to the original models. With a single-stage selection strategy, PromptDistill effectively balances performance and efficiency, outperforming prior methods like GemFilter, H2O, and SnapKV due to its superior ability to retain essential information. Specifically, compared to GemFilter, PromptDistill achieves an overall 1% to 5% performance improvement while also offering better time efficiency. Additionally, we explore multi-stage selection, which further improves efficiency while maintaining strong generation performance.

Recently, with the rise of web videos, managing and understanding large-scale video datasets has become increasingly important. Video Large Language Models (VideoLLMs) have emerged in recent years due to their strong video understanding capabilities. However, training and inference processes for VideoLLMs demand vast amounts of data, presenting significant challenges to data management, particularly regarding efficiency, robustness, and effectiveness. In this work, we present KeyVideoLLM, a text-video frame similarity-based keyframe selection method designed to manage VideoLLM data efficiently, robustly, and effectively. Specifically, KeyVideoLLM achieves a remarkable data compression rate of up to 60.9 times, substantially lowering disk space requirements, which proves its high efficiency. Additionally, it maintains a 100% selection success rate across all video formats and scales, enhances processing speed by up to 200 times compared to existing keyframe selection methods, and does not require hyperparameter tuning. Beyond its outstanding efficiency and robustness, KeyVideoLLM further improves model performance in video question-answering tasks during both training and inference stages. Notably, it consistently achieved the state-of-the-art (SoTA) experimental results on diverse datasets.

In natural language processing (NLP) tasks, slow inference speed and huge footprints in GPU usage remain the bottleneck of applying pre-trained deep models in production. As a popular method for model compression, knowledge distillation transfers knowledge from one or multiple large (teacher) models to a small (student) model. When multiple teacher models are available in distillation, the state-of-the-art methods assign a fixed weight to a teacher model in the whole distillation. Furthermore, most of the existing methods allocate an equal weight to every teacher model. In this paper, we observe that, due to the complexity of training examples and the differences in student model capability, learning differentially from teacher models can lead to better performance of student models distilled. We systematically develop a reinforced method to dynamically assign weights to teacher models for different training instances and optimize the performance of student model. Our extensive experimental results on several NLP tasks clearly verify the feasibility and effectiveness of our approach.

Variational inference is becoming more and more popular for approximating intractable posterior distributions in Bayesian statistics and machine learning. Meanwhile, a few recent works have provided theoretical justification and new insights on deep neural networks for estimating smooth functions in usual settings such as nonparametric regression. In this paper, we show that variational inference for sparse deep learning retains the same generalization properties than exact Bayesian inference. In particular, we highlight the connection between estimation and approximation theories via the classical bias-variance trade-off and show that it leads to near-minimax rates of convergence for H\"older smooth functions. Additionally, we show that the model selection framework over the neural network architecture via ELBO maximization does not overfit and adaptively achieves the optimal rate of convergence.

Large Language Models (LLMs) can perform various natural language processing tasks with suitable instruction prompts. However, designing effective prompts manually is challenging and time-consuming. Existing methods for automatic prompt optimization either lack flexibility or efficiency. In this paper, we propose an effective approach to automatically select the optimal prompt for a given input from a finite set of synthetic candidate prompts. Our approach consists of three steps: (1) clustering the training data and generating candidate prompts for each cluster using an LLM-based prompt generator; (2) synthesizing a dataset of input-prompt-output tuples for training a prompt evaluator to rank the prompts based on their relevance to the input; (3) using the prompt evaluator to select the best prompt for a new input at test time. Our approach balances prompt generality-specificity and eliminates the need for resource-intensive training and inference. It demonstrates competitive performance on zero-shot question-answering datasets: GSM8K, MultiArith, and AQuA.

The growing context lengths of large language models (LLMs) pose significant challenges for efficient inference, primarily due to GPU memory and bandwidth constraints. We present RetroInfer, a novel system that reconceptualizes the key-value (KV) cache as a vector storage system which exploits the inherent attention sparsity to accelerate long-context LLM inference. At its core is the wave index, an Attention-aWare VEctor index that enables efficient and accurate retrieval of critical tokens through techniques such as tripartite attention approximation, accuracy-bounded attention estimation, and segmented clustering. Complementing this is the wave buffer, which coordinates KV cache placement and overlaps computation and data transfer across GPU and CPU to sustain high throughput. Unlike prior sparsity-based methods that struggle with token selection and hardware coordination, RetroInfer delivers robust performance without compromising model accuracy. Experiments on long-context benchmarks show up to 4.5X speedup over full attention within GPU memory limits and up to 10.5X over sparse attention baselines when KV cache is extended to CPU memory, all while preserving full-attention-level accuracy.

The predominant approach to advancing text-to-image generation has been training-time scaling, where larger models are trained on more data using greater computational resources. While effective, this approach is computationally expensive, leading to growing interest in inference-time scaling to improve performance. Currently, inference-time scaling for text-to-image diffusion models is largely limited to best-of-N sampling, where multiple images are generated per prompt and a selection model chooses the best output. Inspired by the recent success of reasoning models like DeepSeek-R1 in the language domain, we introduce an alternative to naive best-of-N sampling by equipping text-to-image Diffusion Transformers with in-context reflection capabilities. We propose Reflect-DiT, a method that enables Diffusion Transformers to refine their generations using in-context examples of previously generated images alongside textual feedback describing necessary improvements. Instead of passively relying on random sampling and hoping for a better result in a future generation, Reflect-DiT explicitly tailors its generations to address specific aspects requiring enhancement. Experimental results demonstrate that Reflect-DiT improves performance on the GenEval benchmark (+0.19) using SANA-1.0-1.6B as a base model. Additionally, it achieves a new state-of-the-art score of 0.81 on GenEval while generating only 20 samples per prompt, surpassing the previous best score of 0.80, which was obtained using a significantly larger model (SANA-1.5-4.8B) with 2048 samples under the best-of-N approach.

Multimodal Large Language Models (MLLMs) have shown impressive capabilities in reasoning, yet come with substantial computational cost, limiting their deployment in resource-constrained settings. Despite recent efforts on improving the efficiency of MLLMs, prior solutions fall short in responding to varying runtime conditions, in particular changing resource availability (e.g., contention due to the execution of other programs on the device). To bridge this gap, we introduce AdaLLaVA, an adaptive inference framework that learns to dynamically reconfigure operations in an MLLM during inference, accounting for the input data and a latency budget. We conduct extensive experiments across benchmarks involving question-answering, reasoning, and hallucination. Our results show that AdaLLaVA effectively adheres to input latency budget, achieving varying accuracy and latency tradeoffs at runtime. Further, we demonstrate that AdaLLaVA adapts to both input latency and content, can be integrated with token selection for enhanced efficiency, and generalizes across MLLMs. Our project webpage with code release is at https://zhuoyan-xu.github.io/ada-llava/.

In recent years, the long-range attention mechanism of vision transformers has driven significant performance breakthroughs across various computer vision tasks. However, the traditional self-attention mechanism, which processes both informative and non-informative tokens, suffers from inefficiency and inaccuracies. While sparse attention mechanisms have been introduced to mitigate these issues by pruning tokens involved in attention, they often lack context-awareness and intelligence. These mechanisms frequently apply a uniform token selection strategy across different inputs for batch training or optimize efficiency only for the inference stage. To overcome these challenges, we propose a novel algorithm: Select and Pack Attention (SPA). SPA dynamically selects informative tokens using a low-cost gating layer supervised by selection labels and packs these tokens into new batches, enabling a variable number of tokens to be used in parallelized GPU batch training and inference. Extensive experiments across diverse datasets and computer vision tasks demonstrate that SPA delivers superior performance and efficiency, including a 0.6 mAP improvement in object detection and a 16.4% reduction in computational costs.

We have tried to reproduce the results of the paper "Natural Language Inference over Interaction Space" submitted to ICLR 2018 conference as part of the ICLR 2018 Reproducibility Challenge. Initially, we were not aware that the code was available, so we started to implement the network from scratch. We have evaluated our version of the model on Stanford NLI dataset and reached 86.38% accuracy on the test set, while the paper claims 88.0% accuracy. The main difference, as we understand it, comes from the optimizers and the way model selection is performed.

Vision-Language-Action (VLA) models have emerged as a powerful paradigm for general-purpose robot control through natural language instructions. However, their high inference cost-stemming from large-scale token computation and autoregressive decoding-poses significant challenges for real-time deployment and edge applications. While prior work has primarily focused on architectural optimization, we take a different perspective by identifying a dual form of redundancy in VLA models: (i) high similarity across consecutive action steps, and (ii) substantial redundancy in visual tokens. Motivated by these observations, we propose FlashVLA, the first training-free and plug-and-play acceleration framework that enables action reuse in VLA models. FlashVLA improves inference efficiency through a token-aware action reuse mechanism that avoids redundant decoding across stable action steps, and an information-guided visual token selection strategy that prunes low-contribution tokens. Extensive experiments on the LIBERO benchmark show that FlashVLA reduces FLOPs by 55.7% and latency by 36.0%, with only a 0.7% drop in task success rate. These results demonstrate the effectiveness of FlashVLA in enabling lightweight, low-latency VLA inference without retraining.

While AI agents have shown remarkable performance at various tasks, they still struggle with complex multi-modal applications, structured generation and strategic planning. Improvements via standard fine-tuning is often impractical, as solving agentic tasks usually relies on black box API access without control over model parameters. Inference-time methods such as Best-of-N (BON) sampling offer a simple yet effective alternative to improve performance. However, BON lacks iterative feedback integration mechanism. Hence, we propose Iterative Agent Decoding (IAD) which combines iterative refinement with dynamic candidate evaluation and selection guided by a verifier. IAD differs in how feedback is designed and integrated, specifically optimized to extract maximal signal from reward scores. We conduct a detailed comparison of baselines across key metrics on Sketch2Code, Text2SQL, and Webshop where IAD consistently outperforms baselines, achieving 3--6% absolute gains on Sketch2Code and Text2SQL (with and without LLM judges) and 8--10% gains on Webshop across multiple metrics. To better understand the source of IAD's gains, we perform controlled experiments to disentangle the effect of adaptive feedback from stochastic sampling, and find that IAD's improvements are primarily driven by verifier-guided refinement, not merely sampling diversity. We also show that both IAD and BON exhibit inference-time scaling with increased compute when guided by an optimal verifier. Our analysis highlights the critical role of verifier quality in effective inference-time optimization and examines the impact of noisy and sparse rewards on scaling behavior. Together, these findings offer key insights into the trade-offs and principles of effective inference-time optimization.

Large Language Models (LLMs) increasingly rely on prolonged reasoning chains to solve complex tasks. However, this trial-and-error approach often leads to high computational overhead and error propagation, where early mistakes can derail subsequent steps. To address these issues, we introduce Meta-Reasoner, a framework that dynamically optimizes inference-time reasoning by enabling LLMs to "think about how to think." Drawing inspiration from human meta-cognition and dual-process theory, Meta-Reasoner operates as a strategic advisor, decoupling high-level guidance from step-by-step generation. It employs "contextual multi-armed bandits" to iteratively evaluate reasoning progress, and select optimal strategies (e.g., backtrack, clarify ambiguity, restart from scratch, or propose alternative approaches), and reallocates computational resources toward the most promising paths. Our evaluations on mathematical reasoning and puzzles highlight the potential of dynamic reasoning chains to overcome inherent challenges in the LLM reasoning process and also show promise in broader applications, offering a scalable and adaptable solution for reasoning-intensive tasks.

Modern large language models (LLMs) employ various forms of logical inference, both implicitly and explicitly, when addressing reasoning tasks. Understanding how to optimally leverage these inference paradigms is critical for advancing LLMs' reasoning capabilities. This paper adopts an exploratory approach by introducing a controlled evaluation environment for analogical reasoning -- a fundamental cognitive task -- that is systematically parameterized across three dimensions: modality (textual, visual, symbolic), difficulty (easy, medium, hard), and task format (multiple-choice or free-text generation). We analyze the comparative dynamics of inductive, abductive, and deductive inference pipelines across these dimensions, and demonstrate that our findings generalize to broader in-context learning tasks. Additionally, we investigate advanced paradigms such as hypothesis selection, verification, and refinement, revealing their potential to scale up logical inference in LLM reasoning. This exploratory study provides a foundation for future research in enhancing LLM reasoning through systematic logical inference strategies.

Low-rank adaptation (LoRA) and its variants have recently gained much interest due to their ability to avoid excessive inference costs. However, LoRA still encounters the following challenges: (1) Limitation of low-rank assumption; and (2) Its initialization method may be suboptimal. To this end, we propose PMSS(Pre-trained Matrices Skeleton Selection), which enables high-rank updates with low costs while leveraging semantic and linguistic information inherent in pre-trained weight. It achieves this by selecting skeletons from the pre-trained weight matrix and only learning a small matrix instead. Experiments demonstrate that PMSS outperforms LoRA and other fine-tuning methods across tasks with much less trainable parameters. We demonstrate its effectiveness, especially in handling complex tasks such as DROP benchmark(+3.4%/+5.9% on LLaMA2-7B/13B) and math reasoning(+12.89%/+5.61%/+3.11% on LLaMA2-7B, Mistral-7B and Gemma-7B of GSM8K). The code and model will be released soon.

Diffusion models, as a type of generative models, have achieved impressive results in generating images and videos conditioned on textual conditions. However, the generation process of diffusion models involves denoising for dozens of steps to produce photorealistic images/videos, which is computationally expensive. Unlike previous methods that design ``one-size-fits-all'' approaches for speed up, we argue denoising steps should be sample-specific conditioned on the richness of input texts. To this end, we introduce AdaDiff, a lightweight framework designed to learn instance-specific step usage policies, which are then used by the diffusion model for generation. AdaDiff is optimized using a policy gradient method to maximize a carefully designed reward function, balancing inference time and generation quality. We conduct experiments on three image generation and two video generation benchmarks and demonstrate that our approach achieves similar results in terms of visual quality compared to the baseline using a fixed 50 denoising steps while reducing inference time by at least 33%, going as high as 40%. Furthermore, our qualitative analysis shows that our method allocates more steps to more informative text conditions and fewer steps to simpler text conditions.

Large language model (LLM) inference is computation and memory intensive, so we adapt lexical shortlisting to it hoping to improve both. While lexical shortlisting is well-explored in tasks like machine translation, it requires modifications before being suitable for LLMs as the intended applications vary significantly. Our work studies two heuristics to shortlist sub-vocabulary at LLM inference time: Unicode-based script filtering and corpus-based selection. We explore different LLM families and sizes, and we find that lexical shortlisting can reduce the memory usage of some models by nearly 50\% and has an upper bound of 25\% improvement in generation speed. In this pilot study, we also identify the drawbacks of such vocabulary selection methods and propose avenues for future research.

Multi-choice questions (MCQs) serve as a common yet important task format in the research of large language models (LLMs). Our work shows that LLMs exhibit an inherent "selection bias" in MCQs, which refers to LLMs' preferences to select options located at specific positions (like "Option C"). This bias is prevalent across various LLMs, making their performance vulnerable to option position changes in MCQs. We identify that one primary cause resulting in selection bias is option numbering, i.e., the ID symbols A/B/C/D associated with the options. To mitigate selection bias, we propose a new method called PriDe. PriDe first decomposes the observed model prediction distribution into an intrinsic prediction over option contents and a prior distribution over option IDs. It then estimates the prior by permutating option contents on a small number of test samples, which is used to debias the subsequent test samples. We demonstrate that, as a label-free, inference-time method, PriDe achieves a more effective and computation-efficient debiasing than strong baselines. We further show that the priors estimated by PriDe generalize well across different domains, highlighting its practical potential in broader scenarios.

Traditionally, data selection has been studied in settings where all samples from prospective sources are fully revealed to a machine learning developer. However, in practical data exchange scenarios, data providers often reveal only a limited subset of samples before an acquisition decision is made. Recently, there have been efforts to fit scaling laws that predict model performance at any size and data source composition using the limited available samples. However, these scaling functions are black-box, computationally expensive to fit, highly susceptible to overfitting, or/and difficult to optimize for data selection. This paper proposes a framework called <projektor>, which predicts model performance and supports data selection decisions based on partial samples of prospective data sources. Our approach distinguishes itself from existing work by introducing a novel *two-stage* performance inference process. In the first stage, we leverage the Optimal Transport distance to predict the model's performance for any data mixture ratio within the range of disclosed data sizes. In the second stage, we extrapolate the performance to larger undisclosed data sizes based on a novel parameter-free mapping technique inspired by neural scaling laws. We further derive an efficient gradient-based method to select data sources based on the projected model performance. Evaluation over a diverse range of applications demonstrates that <projektor> significantly improves existing performance scaling approaches in terms of both the accuracy of performance inference and the computation costs associated with constructing the performance predictor. Also, <projektor> outperforms by a wide margin in data selection effectiveness compared to a range of other off-the-shelf solutions.

For a very long time, unsupervised learning for anomaly detection has been at the heart of image processing research and a stepping stone for high performance industrial automation process. With the emergence of CNN, several methods have been proposed such as Autoencoders, GAN, deep feature extraction, etc. In this paper, we propose a new method based on the promising concept of knowledge distillation which consists of training a network (the student) on normal samples while considering the output of a larger pretrained network (the teacher). The main contributions of this paper are twofold: First, a reduced student architecture with optimal layer selection is proposed, then a new Student-Teacher architecture with network bias reduction combining two teachers is proposed in order to jointly enhance the performance of anomaly detection and its localization accuracy. The proposed texture anomaly detector has an outstanding capability to detect defects in any texture and a fast inference time compared to the SOTA methods.

Prior work on Private Inference (PI) -- inferences performed directly on encrypted input -- has focused on minimizing a network's ReLUs, which have been assumed to dominate PI latency rather than FLOPs. Recent work has shown that FLOPs for PI can no longer be ignored and incur high latency penalties. In this paper, we develop DeepReShape, a technique that optimizes neural network architectures under PI's constraints, optimizing for both ReLUs and FLOPs for the first time. The key insight is strategically allocating channels to position the network's ReLUs in order of their criticality to network accuracy, simultaneously optimizes ReLU and FLOPs efficiency. DeepReShape automates network development with an efficient process, and we call generated networks HybReNets. We evaluate DeepReShape using standard PI benchmarks and demonstrate a 2.1% accuracy gain with a 5.2times runtime improvement at iso-ReLU on CIFAR-100 and an 8.7times runtime improvement at iso-accuracy on TinyImageNet. Furthermore, we investigate the significance of network selection in prior ReLU optimizations and shed light on the key network attributes for superior PI performance.

In recent years, active learning has been successfully applied to an array of NLP tasks. However, prior work often assumes that training and test data are drawn from the same distribution. This is problematic, as in real-life settings data may stem from several sources of varying relevance and quality. We show that four popular active learning schemes fail to outperform random selection when applied to unlabelled pools comprised of multiple data sources on the task of natural language inference. We reveal that uncertainty-based strategies perform poorly due to the acquisition of collective outliers, i.e., hard-to-learn instances that hamper learning and generalization. When outliers are removed, strategies are found to recover and outperform random baselines. In further analysis, we find that collective outliers vary in form between sources, and show that hard-to-learn data is not always categorically harmful. Lastly, we leverage dataset cartography to introduce difficulty-stratified testing and find that different strategies are affected differently by example learnability and difficulty.

We propose a new localized inference algorithm for answering marginalization queries in large graphical models with the correlation decay property. Given a query variable and a large graphical model, we define a much smaller model in a local region around the query variable in the target model so that the marginal distribution of the query variable can be accurately approximated. We introduce two approximation error bounds based on the Dobrushin's comparison theorem and apply our bounds to derive a greedy expansion algorithm that efficiently guides the selection of neighbor nodes for localized inference. We verify our theoretical bounds on various datasets and demonstrate that our localized inference algorithm can provide fast and accurate approximation for large graphical models.

Retrieval-augmented generation (RAG) and long-context language models (LCLMs) both address context limitations of LLMs in open-domain question answering (QA). However, optimal external context to retrieve remains an open problem: fixing the retrieval size risks either wasting tokens or omitting key evidence. Existing adaptive methods like Self-RAG and Self-Route rely on iterative LLM prompting and perform well on factoid QA, but struggle with aggregation QA, where the optimal context size is both unknown and variable. We present Adaptive-k retrieval, a simple and effective single-pass method that adaptively selects the number of passages based on the distribution of the similarity scores between the query and the candidate passages. It does not require model fine-tuning, extra LLM inferences or changes to existing retriever-reader pipelines. On both factoid and aggregation QA benchmarks, Adaptive-k matches or outperforms fixed-k baselines while using up to 10x fewer tokens than full-context input, yet still retrieves 70% of relevant passages. It improves accuracy across five LCLMs and two embedding models, highlighting that dynamically adjusting context size leads to more efficient and accurate QA.

Test Time Adaptation (TTA) addresses the problem of distribution shift by adapting a pretrained model to a new domain during inference. When faced with challenging shifts, most methods collapse and perform worse than the original pretrained model. In this paper, we find that not all layers are equally receptive to the adaptation, and the layers with the most misaligned gradients often cause performance degradation. To address this, we propose GALA, a novel layer selection criterion to identify the most beneficial updates to perform during test time adaptation. This criterion can also filter out unreliable samples with noisy gradients. Its simplicity allows seamless integration with existing TTA loss functions, thereby preventing degradation and focusing adaptation on the most trainable layers. This approach also helps to regularize adaptation to preserve the pretrained features, which are crucial for handling unseen domains. Through extensive experiments, we demonstrate that the proposed layer selection framework improves the performance of existing TTA approaches across multiple datasets, domain shifts, model architectures, and TTA losses.

Recent advances in large language models (LLMs) have demonstrated that inference-time computation techniques, such as decoding-time scaling and self-refinement, can significantly enhance reasoning capabilities without relying on external knowledge. A key driver of this success is the emergence of self-correction and self-verification behaviors, often elicited through reinforcement learning (RL). In this paper, we investigate whether these inference-time techniques extend effectively to vision-language models (VLMs), particularly those trained with RL. We find that while decoding strategies such as majority voting and best-of-N selection with self-verification all improve VLM reasoning performance, generation-reliant methods such as the former achieve significantly higher gains versus verification-reliant methods such as the latter. Additionally, the self-correction behavior often associated with RL-tuned models, such as aha moment, does not lead to measurable gains. We show via extensive experimentation within the inference-time scaling framework to identify a key root cause: RL-trained VLMs still lack robust self-verification capabilities across both visual and textual modalities.

In this work, we demonstrate that distinctive keys during LLM inference tend to have high attention scores. We explore this phenomenon and propose KeyDiff, a training-free KV cache eviction method based on key similarity. This method facilitates the deployment of LLM-based application requiring long input prompts in resource-constrained environments with limited memory and compute budgets. Unlike other KV cache eviction methods, KeyDiff can process arbitrarily long prompts within strict resource constraints and efficiently generate responses. We demonstrate that KeyDiff computes the optimal solution to a KV cache selection problem that maximizes key diversity, providing a theoretical understanding of KeyDiff. Notably,KeyDiff does not rely on attention scores, allowing the use of optimized attention mechanisms like FlashAttention. We demonstrate the effectiveness of KeyDiff across diverse tasks and models, illustrating a performance gap of less than 0.04\% with 8K cache budget (sim 23\% KV cache reduction) from the non-evicting baseline on the LongBench benchmark for Llama 3.1-8B and Llama 3.2-3B.

Compared to the wide array of advanced Monte Carlo methods supported by modern probabilistic programming languages (PPLs), PPL support for variational inference (VI) is less developed: users are typically limited to a predefined selection of variational objectives and gradient estimators, which are implemented monolithically (and without formal correctness arguments) in PPL backends. In this paper, we propose a more modular approach to supporting variational inference in PPLs, based on compositional program transformation. In our approach, variational objectives are expressed as programs, that may employ first-class constructs for computing densities of and expected values under user-defined models and variational families. We then transform these programs systematically into unbiased gradient estimators for optimizing the objectives they define. Our design enables modular reasoning about many interacting concerns, including automatic differentiation, density accumulation, tracing, and the application of unbiased gradient estimation strategies. Additionally, relative to existing support for VI in PPLs, our design increases expressiveness along three axes: (1) it supports an open-ended set of user-defined variational objectives, rather than a fixed menu of options; (2) it supports a combinatorial space of gradient estimation strategies, many not automated by today's PPLs; and (3) it supports a broader class of models and variational families, because it supports constructs for approximate marginalization and normalization (previously introduced only for Monte Carlo inference). We implement our approach in an extension to the Gen probabilistic programming system (genjax.vi, implemented in JAX), and evaluate on several deep generative modeling tasks, showing minimal performance overhead vs. hand-coded implementations and performance competitive with well-established open-source PPLs.

A practical approach to activate long chain-of-thoughts reasoning ability in pre-trained large language models is to perform supervised fine-tuning on instruction datasets synthesized by strong Large Reasoning Models such as DeepSeek-R1, offering a cost-effective alternative to reinforcement learning. However, large-scale instruction sets with more than 100k samples incur significant training overhead, while effective strategies for automatic long-CoT instruction selection still remain unexplored. In this work, we propose Select2Reason, a novel and efficient instruction-tuning data selection framework for long-CoT reasoning. From the perspective of emergence of rethinking behaviors like self-correction and backtracking, we investigate common metrics that may determine the quality of long-CoT reasoning instructions. Select2Reason leverages a quantifier to estimate difficulty of question and jointly incorporates a reasoning trace length-based heuristic through a weighted scheme for ranking to prioritize high-utility examples. Empirical results on OpenR1-Math-220k demonstrate that fine-tuning LLM on only 10% of the data selected by Select2Reason achieves performance competitive with or superior to full-data tuning and open-source baseline OpenR1-Qwen-7B across three competition-level and six comprehensive mathematical benchmarks. Further experiments highlight the scalability in varying data size, efficiency during inference, and its adaptability to other instruction pools with minimal cost.

With the growing size of pre-trained models, full fine-tuning and storing all the parameters for various downstream tasks is costly and infeasible. In this paper, we propose a new parameter-efficient fine-tuning method, Gradient-based Parameter Selection (GPS), demonstrating that only tuning a few selected parameters from the pre-trained model while keeping the remainder of the model frozen can generate similar or better performance compared with the full model fine-tuning method. Different from the existing popular and state-of-the-art parameter-efficient fine-tuning approaches, our method does not introduce any additional parameters and computational costs during both the training and inference stages. Another advantage is the model-agnostic and non-destructive property, which eliminates the need for any other design specific to a particular model. Compared with the full fine-tuning, GPS achieves 3.33% (91.78% vs. 88.45%, FGVC) and 9.61% (73.1% vs. 65.57%, VTAB) improvement of the accuracy with tuning only 0.36% parameters of the pre-trained model on average over 24 image classification tasks; it also demonstrates a significant improvement of 17% and 16.8% in mDice and mIoU, respectively, on medical image segmentation task. Moreover, GPS achieves state-of-the-art performance compared with existing PEFT methods.

Visual instruction tuning refines pre-trained Multimodal Large Language Models (MLLMs) to enhance their real-world task performance. However, the rapid expansion of visual instruction datasets introduces significant data redundancy, leading to excessive computational costs. Existing data selection methods predominantly rely on proxy models or loss-based metrics, both of which impose substantial computational overheads due to the necessity of model inference and backpropagation. To address this challenge, we propose PRISM, a novel training-free approach for efficient multimodal data selection. Unlike existing methods, PRISM eliminates the reliance on proxy models, warm-up pretraining, and gradient-based optimization. Instead, it leverages Pearson correlation analysis to quantify the intrinsic visual encoding properties of MLLMs, computing a task-specific correlation score to identify high-value instances. This not only enbles data-efficient selection,but maintains the original performance. Empirical evaluations across multiple MLLMs demonstrate that PRISM reduces the overall time required for visual instruction tuning and data selection to just 30% of conventional methods, while surpassing fully fine-tuned models across eight multimodal and three language understanding benchmarks, achieving a 101.7% relative improvement in final performance.

Recent studies have demonstrated that large language models (LLMs) excel in diverse tasks through in-context learning (ICL) facilitated by task-specific prompts and examples. However, the existing literature shows that ICL encounters performance deterioration when exposed to adversarial inputs. Enhanced performance has been observed when ICL is augmented with natural language explanations (NLEs) (we refer to it as X-ICL). Thus, this work investigates whether X-ICL can improve the robustness of LLMs on a suite of seven adversarial and challenging natural language inference datasets. Moreover, we introduce a new approach to X-ICL by prompting an LLM (ChatGPT in our case) with few human-generated NLEs to produce further NLEs (we call it ChatGPT few-shot), which we show superior to both ChatGPT zero-shot and human-generated NLEs alone. We evaluate five popular LLMs (GPT3.5-turbo, LLaMa2, Vicuna, Zephyr, Mistral) and show that X-ICL with ChatGPT few-shot yields over 6% improvement over ICL. Furthermore, while prompt selection strategies were previously shown to significantly improve ICL on in-distribution test sets, we show that these strategies do not match the efficacy of the X-ICL paradigm in robustness-oriented evaluations.

Unsupervised video object segmentation (VOS) is a task that aims to detect the most salient object in a video without external guidance about the object. To leverage the property that salient objects usually have distinctive movements compared to the background, recent methods collaboratively use motion cues extracted from optical flow maps with appearance cues extracted from RGB images. However, as optical flow maps are usually very relevant to segmentation masks, the network is easy to be learned overly dependent on the motion cues during network training. As a result, such two-stream approaches are vulnerable to confusing motion cues, making their prediction unstable. To relieve this issue, we design a novel motion-as-option network by treating motion cues as optional. During network training, RGB images are randomly provided to the motion encoder instead of optical flow maps, to implicitly reduce motion dependency of the network. As the learned motion encoder can deal with both RGB images and optical flow maps, two different predictions can be generated depending on which source information is used as motion input. In order to fully exploit this property, we also propose an adaptive output selection algorithm to adopt optimal prediction result at test time. Our proposed approach affords state-of-the-art performance on all public benchmark datasets, even maintaining real-time inference speed.

Markerless Mobile Augmented Reality (AR) aims to anchor digital content in the physical world without using specific 2D or 3D objects. Absolute Pose Regressors (APR) are end-to-end machine learning solutions that infer the device's pose from a single monocular image. Thanks to their low computation cost, they can be directly executed on the constrained hardware of mobile AR devices. However, APR methods tend to yield significant inaccuracies for input images that are too distant from the training set. This paper introduces KS-APR, a pipeline that assesses the reliability of an estimated pose with minimal overhead by combining the inference results of the APR and the prior images in the training set. Mobile AR systems tend to rely upon visual-inertial odometry to track the relative pose of the device during the experience. As such, KS-APR favours reliability over frequency, discarding unreliable poses. This pipeline can integrate most existing APR methods to improve accuracy by filtering unreliable images with their pose estimates. We implement the pipeline on three types of APR models on indoor and outdoor datasets. The median error on position and orientation is reduced for all models, and the proportion of large errors is minimized across datasets. Our method enables state-of-the-art APRs such as DFNetdm to outperform single-image and sequential APR methods. These results demonstrate the scalability and effectiveness of KS-APR for visual localization tasks that do not require one-shot decisions.

The selection of maskers and playback gain levels in a soundscape augmentation system is crucial to its effectiveness in improving the overall acoustic comfort of a given environment. Traditionally, the selection of appropriate maskers and gain levels has been informed by expert opinion, which may not representative of the target population, or by listening tests, which can be time-consuming and labour-intensive. Furthermore, the resulting static choices of masker and gain are often inflexible to the dynamic nature of real-world soundscapes. In this work, we utilized a deep learning model to perform joint selection of the optimal masker and its gain level for a given soundscape. The proposed model was designed with highly modular building blocks, allowing for an optimized inference process that can quickly search through a large number of masker and gain combinations. In addition, we introduced the use of feature-domain soundscape augmentation conditioned on the digital gain level, eliminating the computationally expensive waveform-domain mixing process during inference time, as well as the tedious pre-calibration process required for new maskers. The proposed system was validated on a large-scale dataset of subjective responses to augmented soundscapes with more than 440 participants, ensuring the ability of the model to predict combined effect of the masker and its gain level on the perceptual pleasantness level.

Sample-and-rank is a key decoding strategy for modern generation-based dialogue systems. It helps achieve diverse and high-quality responses by selecting an answer from a small pool of generated candidates. The current state-of-the-art ranking methods mainly use an encoding paradigm called Cross-Encoder, which separately encodes each context-candidate pair and ranks the candidates according to their fitness scores. However, Cross-Encoder repeatedly encodes the same lengthy context for each candidate, resulting in high computational costs. Poly-Encoder addresses the above problems by reducing the interaction between context and candidates, but with a price of performance drop. In this work, we develop a new paradigm called Uni-Encoder, that keeps the full attention over each pair as in Cross-Encoder while only encoding the context once, as in Poly-Encoder. Uni-Encoder encodes all the candidates with the context in one forward pass. We use the same positional embedding for all candidates to ensure they are treated equally and design a new attention mechanism to avoid confusion. Our Uni-Encoder can simulate other ranking paradigms using different attention and response concatenation methods. Extensive experiments show that our proposed paradigm achieves new state-of-the-art results on four benchmark datasets with high computational efficiency. For instance, it improves R10@1 by 2.9% with an approximately 4X faster inference speed on the Ubuntu V2 dataset.

Visual Question-Answering (VQA) has become a key use-case in several applications to aid user experience, particularly after Vision-Language Models (VLMs) achieving good results in zero-shot inference. But evaluating different VLMs for an application requirement using a standardized framework in practical settings is still challenging. This paper introduces a comprehensive framework for evaluating VLMs tailored to VQA tasks in practical settings. We present a novel dataset derived from established VQA benchmarks, annotated with task types, application domains, and knowledge types, three key practical aspects on which tasks can vary. We also introduce GoEval, a multimodal evaluation metric developed using GPT-4o, achieving a correlation factor of 56.71% with human judgments. Our experiments with ten state-of-the-art VLMs reveals that no single model excelling universally, making appropriate selection a key design decision. Proprietary models such as Gemini-1.5-Pro and GPT-4o-mini generally outperform others, though open-source models like InternVL-2-8B and CogVLM-2-Llama-3-19B demonstrate competitive strengths in specific contexts, while providing additional advantages. This study guides the selection of VLMs based on specific task requirements and resource constraints, and can also be extended to other vision-language tasks.

The remarkable capability of large language models (LLMs) for in-context learning (ICL) needs to be activated by demonstration examples. Prior work has extensively explored the selection of examples for ICL, predominantly following the "select then organize" paradigm, such approaches often neglect the internal relationships between examples and exist an inconsistency between the training and inference. In this paper, we formulate the problem as a sequential selection problem and introduce Se^2, a sequential-aware method that leverages the LLM's feedback on varying context, aiding in capturing inter-relationships and sequential information among examples, significantly enriching the contextuality and relevance of ICL prompts. Meanwhile, we utilize beam search to seek and construct example sequences, enhancing both quality and diversity. Extensive experiments across 23 NLP tasks from 8 distinct categories illustrate that Se^2 markedly surpasses competitive baselines and achieves 42% relative improvement over random selection. Further in-depth analysis show the effectiveness of proposed strategies, highlighting Se^2's exceptional stability and adaptability across various scenarios. Our code will be released to facilitate future research.

As a branch of advanced artificial intelligence, dialogue systems are prospering. Multi-turn response selection is a general research problem in dialogue systems. With the assistance of background information and pre-trained language models, the performance of state-of-the-art methods on this problem gains impressive improvement. However, existing studies neglect the importance of external commonsense knowledge. Hence, we design a Siamese network where a pre-trained Language model merges with a Graph neural network (SinLG). SinLG takes advantage of Pre-trained Language Models (PLMs) to catch the word correlations in the context and response candidates and utilizes a Graph Neural Network (GNN) to reason helpful common sense from an external knowledge graph. The GNN aims to assist the PLM in fine-tuning, and arousing its related memories to attain better performance. Specifically, we first extract related concepts as nodes from an external knowledge graph to construct a subgraph with the context response pair as a super node for each sample. Next, we learn two representations for the context response pair via both the PLM and GNN. A similarity loss between the two representations is utilized to transfer the commonsense knowledge from the GNN to the PLM. Then only the PLM is used to infer online so that efficiency can be guaranteed. Finally, we conduct extensive experiments on two variants of the PERSONA-CHAT dataset, which proves that our solution can not only improve the performance of the PLM but also achieve an efficient inference.

With the widespread deployment of long-context large language models (LLMs), there has been a growing demand for efficient support of high-throughput inference. However, as the key-value (KV) cache expands with the sequence length, the increasing memory footprint and the need to access it for each token generation both result in low throughput when serving long-context LLMs. While various dynamic sparse attention methods have been proposed to speed up inference while maintaining generation quality, they either fail to sufficiently reduce GPU memory consumption or introduce significant decoding latency by offloading the KV cache to the CPU. We present ShadowKV, a high-throughput long-context LLM inference system that stores the low-rank key cache and offloads the value cache to reduce the memory footprint for larger batch sizes and longer sequences. To minimize decoding latency, ShadowKV employs an accurate KV selection strategy that reconstructs minimal sparse KV pairs on-the-fly. By evaluating ShadowKV on a broad range of benchmarks, including RULER, LongBench, and Needle In A Haystack, and models like Llama-3.1-8B, Llama-3-8B-1M, GLM-4-9B-1M, Yi-9B-200K, Phi-3-Mini-128K, and Qwen2-7B-128K, we demonstrate that it can support up to 6times larger batch sizes and boost throughput by up to 3.04times on an A100 GPU without sacrificing accuracy, even surpassing the performance achievable with infinite batch size under the assumption of infinite GPU memory. The code is available at https://github.com/bytedance/ShadowKV.

Recent advancements have demonstrated that the performance of large language models (LLMs) can be significantly enhanced by scaling computational resources at test time. A common strategy involves generating multiple Chain-of-Thought (CoT) trajectories and aggregating their outputs through various selection mechanisms. This raises a fundamental question: can models with lower complexity leverage their superior generation throughput to outperform similarly sized Transformers for a fixed computational budget? To address this question and overcome the lack of strong subquadratic reasoners, we distill pure and hybrid Mamba models from pretrained Transformers. Trained on only 8 billion tokens, our distilled models show strong performance and scaling on mathematical reasoning datasets while being much faster at inference for large batches and long sequences. Despite the zero-shot performance hit due to distillation, both pure and hybrid Mamba models can scale their coverage and accuracy performance past their Transformer teacher models under fixed time budgets, opening a new direction for scaling inference compute.

In this paper, we introduce a new channel pruning method to accelerate very deep convolutional neural networks. Given a trained CNN model, we propose an iterative two-step algorithm to effectively prune each layer, by a LASSO regression based channel selection and least square reconstruction. We further generalize this algorithm to multi-layer and multi-branch cases. Our method reduces the accumulated error and enhances the compatibility with various architectures. Our pruned VGG-16 achieves the state-of-the-art results by 5x speed-up along with only 0.3% increase of error. More importantly, our method is able to accelerate modern networks like ResNet, Xception and suffers only 1.4%, 1.0% accuracy loss under 2x speed-up respectively, which is significant. Our code has been made publicly available.

Conventional Vision-Language Models(VLMs) typically utilize a fixed number of vision tokens, regardless of task complexity. This one-size-fits-all strategy introduces notable inefficiencies: using excessive tokens leads to unnecessary computational overhead in simpler tasks, whereas insufficient tokens compromise fine-grained visual comprehension in more complex contexts. To overcome these limitations, we present TokenFLEX, an innovative and adaptable vision-language framework that encodes images into a variable number of tokens for efficient integration with a Large Language Model (LLM). Our approach is underpinned by two pivotal innovations. Firstly, we present a novel training paradigm that enhances performance across varying numbers of vision tokens by stochastically modulating token counts during training. Secondly, we design a lightweight vision token projector incorporating an adaptive pooling layer and SwiGLU, allowing for flexible downsampling of vision tokens and adaptive selection of features tailored to specific token counts. Comprehensive experiments reveal that TokenFLEX consistently outperforms its fixed-token counterparts, achieving notable performance gains across various token counts enhancements of 1.6%, 1.0%, and 0.4% with 64, 144, and 256 tokens, respectively averaged over eight vision-language benchmarks. These results underscore TokenFLEX's remarkable flexibility while maintaining high-performance vision-language understanding.

Despite great progress, text-driven long video editing is still notoriously challenging mainly due to excessive memory overhead. Although recent efforts have simplified this task into a two-step process of keyframe translation and interpolation generation, the token-wise keyframe translation still plagues the upper limit of video length. In this paper, we propose a novel and training-free approach towards efficient and effective long video editing, termed AdaFlow. We first reveal that not all tokens of video frames hold equal importance for keyframe translation, based on which we propose an Adaptive Attention Slimming scheme for AdaFlow to squeeze the KV sequence, thus increasing the number of keyframes for translations by an order of magnitude. In addition, an Adaptive Keyframe Selection scheme is also equipped to select the representative frames for joint editing, further improving generation quality. With these innovative designs, AdaFlow achieves high-quality long video editing of minutes in one inference, i.e., more than 1k frames on one A800 GPU, which is about ten times longer than the compared methods, e.g., TokenFlow. To validate AdaFlow, we also build a new benchmark for long video editing with high-quality annotations, termed LongV-EVAL. Our code is released at: https://github.com/jidantang55/AdaFlow.

The measurements of the temperature and polarisation anisotropies of the Cosmic Microwave Background (CMB) by the ESA Planck mission have strongly supported the current concordance model of cosmology. However, the latest cosmological data release from ESA Planck mission still has a powerful potential to test new data science algorithms and inference techniques. In this paper, we use advanced Machine Learning (ML) algorithms, such as Neural Networks (NNs), to discern among different underlying cosmological models at the angular power spectra level, using both temperature and polarisation Planck 18 data. We test two different models beyond LambdaCDM: a modified gravity model: the Hu-Sawicki model, and an alternative inflationary model: a feature-template in the primordial power spectrum. Furthermore, we also implemented an interpretability method based on SHAP values to evaluate the learning process and identify the most relevant elements that drive our architecture to certain outcomes. We find that our NN is able to distinguish between different angular power spectra successfully for both alternative models and LambdaCDM. We conclude by explaining how archival scientific data has still a strong potential to test novel data science algorithms that are interesting for the next generation of cosmological experiments.

Large language models (LLMs) propel the prosperity of interactive AI applications showcased by ChatGPT that demand timely response of inference services. However, LLM inference is computation intensive and memory intensive, and improper parameter configuration at LLM platforms may exacerbate the inference time. In this paper, we analyze the impact of LLM output token distribution on the inference queueing delay, where the max-token clipping and the batched inference are considered. By formulating an M/G/1 model, we observe that enforcing a maximum output token limit on a very small fraction of inference requests can significantly reduce the queueing delay, and our model facilitates the selection of the optimal limit. For the batch inference, we model the service process as a bulk queue in which the batch processing time is affected by the batch size and the maximum token size inside this batch jointly. The queueing delays of the batching of all buffered requests (dynamic batching), the batching of constant number of requests (fixed batching), and the batching without intra-batch waiting (elastic batching) are derived. Experimental results show that our mathematical models coincide with the event-driven simulations well.

Large deep learning models have achieved impressive performance across a range of applications. However, their large memory requirements, including parameter memory and activation memory, have become a significant challenge for their practical serving. While existing methods mainly address parameter memory, the importance of activation memory has been overlooked. Especially for long input sequences, activation memory is expected to experience a significant exponential growth as the length of sequences increases. In this approach, we propose AutoChunk, an automatic and adaptive compiler system that efficiently reduces activation memory for long sequence inference by chunk strategies. The proposed system generates chunk plans by optimizing through multiple stages. In each stage, the chunk search pass explores all possible chunk candidates and the chunk selection pass identifies the optimal one. At runtime, AutoChunk employs code generation to automatically apply chunk strategies. The experiments demonstrate that AutoChunk can reduce over 80\% of activation memory while maintaining speed loss within 10%, extend max sequence length by 3.2x to 11.7x, and outperform state-of-the-art methods by a large margin.

This paper describes the results of SemEval 2023 task 7 -- Multi-Evidence Natural Language Inference for Clinical Trial Data (NLI4CT) -- consisting of 2 tasks, a Natural Language Inference (NLI) task, and an evidence selection task on clinical trial data. The proposed challenges require multi-hop biomedical and numerical reasoning, which are of significant importance to the development of systems capable of large-scale interpretation and retrieval of medical evidence, to provide personalized evidence-based care. Task 1, the entailment task, received 643 submissions from 40 participants, and Task 2, the evidence selection task, received 364 submissions from 23 participants. The tasks are challenging, with the majority of submitted systems failing to significantly outperform the majority class baseline on the entailment task, and we observe significantly better performance on the evidence selection task than on the entailment task. Increasing the number of model parameters leads to a direct increase in performance, far more significant than the effect of biomedical pre-training. Future works could explore the limitations of large models for generalization and numerical inference, and investigate methods to augment clinical datasets to allow for more rigorous testing and to facilitate fine-tuning. We envisage that the dataset, models, and results of this task will be useful to the biomedical NLI and evidence retrieval communities. The dataset, competition leaderboard, and website are publicly available.

This paper addresses the problem of dialogue reasoning with contextualized commonsense inference. We curate CICERO, a dataset of dyadic conversations with five types of utterance-level reasoning-based inferences: cause, subsequent event, prerequisite, motivation, and emotional reaction. The dataset contains 53,105 of such inferences from 5,672 dialogues. We use this dataset to solve relevant generative and discriminative tasks: generation of cause and subsequent event; generation of prerequisite, motivation, and listener's emotional reaction; and selection of plausible alternatives. Our results ascertain the value of such dialogue-centric commonsense knowledge datasets. It is our hope that CICERO will open new research avenues into commonsense-based dialogue reasoning.

We propose TANDA, an effective technique for fine-tuning pre-trained Transformer models for natural language tasks. Specifically, we first transfer a pre-trained model into a model for a general task by fine-tuning it with a large and high-quality dataset. We then perform a second fine-tuning step to adapt the transferred model to the target domain. We demonstrate the benefits of our approach for answer sentence selection, which is a well-known inference task in Question Answering. We built a large scale dataset to enable the transfer step, exploiting the Natural Questions dataset. Our approach establishes the state of the art on two well-known benchmarks, WikiQA and TREC-QA, achieving MAP scores of 92% and 94.3%, respectively, which largely outperform the previous highest scores of 83.4% and 87.5%, obtained in very recent work. We empirically show that TANDA generates more stable and robust models reducing the effort required for selecting optimal hyper-parameters. Additionally, we show that the transfer step of TANDA makes the adaptation step more robust to noise. This enables a more effective use of noisy datasets for fine-tuning. Finally, we also confirm the positive impact of TANDA in an industrial setting, using domain specific datasets subject to different types of noise.

Sparse models, including sparse Mixture-of-Experts (MoE) models, have emerged as an effective approach for scaling Transformer models. However, they often suffer from computational inefficiency since a significant number of parameters are unnecessarily involved in computations via multiplying values by zero or low activation values. To address this issue, we present \tool, a novel MoE designed to enhance both the efficacy and efficiency of sparse MoE models. \tool leverages small experts and a threshold-based router to enable tokens to selectively engage only essential parameters. Our extensive experiments on language modeling and machine translation tasks demonstrate that \tool can enhance model performance while decreasing the computation load at MoE layers by over 50\% without sacrificing performance. Furthermore, we present the versatility of \tool by applying it to dense models, enabling sparse computation during inference. We provide a comprehensive analysis and make our code available at https://anonymous.4open.science/r/XMoE.

As mental health care systems worldwide struggle to meet demand, there is increasing focus on using language models to infer neuropsychiatric conditions or psychopathological traits from language production. Yet, so far, this research has only delivered solutions with limited clinical applicability, due to insufficient consideration of ethical questions crucial to ensuring the synergy between possible applications and model design. To accelerate progress towards clinically applicable models, our paper charts the ethical landscape of research on language-based inference of psychopathology and provides a practical tool for researchers to navigate it. We identify seven core ethical principles that should guide model development and deployment in this domain, translate them into ELLIPS, an ethical toolkit operationalizing these principles into questions that can guide researchers' choices with respect to data selection, architectures, evaluation, and model deployment, and provide a case study exemplifying its use. With this, we aim to facilitate the emergence of model technology with concrete potential for real-world applicability.

The environmental impact of Artificial Intelligence (AI) is emerging as a significant global concern, particularly regarding model training. In this paper, we introduce GREEN (Guided Recommendations of Energy-Efficient Networks), a novel, inference-time approach for recommending Pareto-optimal AI model configurations that optimize validation performance and energy consumption across diverse AI domains and tasks. Our approach directly addresses the limitations of current eco-efficient neural architecture search methods, which are often restricted to specific architectures or tasks. Central to this work is EcoTaskSet, a dataset comprising training dynamics from over 1767 experiments across computer vision, natural language processing, and recommendation systems using both widely used and cutting-edge architectures. Leveraging this dataset and a prediction model, our approach demonstrates effectiveness in selecting the best model configuration based on user preferences. Experimental results show that our method successfully identifies energy-efficient configurations while ensuring competitive performance.

Efficient long-context inference is critical as large language models (LLMs) adopt context windows of ranging from 128K to 1M tokens. However, the growing key-value (KV) cache and the high computational complexity of attention create significant bottlenecks in memory usage and latency. In this paper, we find that attention in diverse long-context tasks exhibits sparsity, and LLMs implicitly "know" which tokens can be dropped or evicted at the head level after the pre-filling stage. Based on this insight, we propose Self-Attention Guided Eviction~(SAGE-KV), a simple and effective KV eviction cache method for long-context inference. After prefilling, our method performs a one-time top-k selection at both the token and head levels to compress the KV cache, enabling efficient inference with the reduced cache. Evaluations on LongBench and three long-context LLMs (Llama3.1-8B-Instruct-128k, Llama3-8B-Prolong-512k-Instruct, and Qwen2.5-7B-Instruct-128k) show that SAGE-KV maintains accuracy comparable to full attention while significantly improving efficiency. Specifically, SAGE-KV achieves 4x higher memory efficiency with improved accuracy over the static KV cache selection method StreamLLM, and 2x higher memory efficiency with better accuracy than the dynamic KV cache selection method Quest.

Consistency distillation methods have demonstrated significant success in accelerating generative tasks of diffusion models. However, since previous consistency distillation methods use simple and straightforward strategies in selecting target timesteps, they usually struggle with blurs and detail losses in generated images. To address these limitations, we introduce Target-Driven Distillation (TDD), which (1) adopts a delicate selection strategy of target timesteps, increasing the training efficiency; (2) utilizes decoupled guidances during training, making TDD open to post-tuning on guidance scale during inference periods; (3) can be optionally equipped with non-equidistant sampling and x0 clipping, enabling a more flexible and accurate way for image sampling. Experiments verify that TDD achieves state-of-the-art performance in few-step generation, offering a better choice among consistency distillation models.

Deep neural networks that achieve remarkable performance in image classification have previously been shown to be easily fooled by tiny transformations such as a one pixel translation of the input image. In order to address this problem, two approaches have been proposed in recent years. The first approach suggests using huge datasets together with data augmentation in the hope that a highly varied training set will teach the network to learn to be invariant. The second approach suggests using architectural modifications based on sampling theory to deal explicitly with image translations. In this paper, we show that these approaches still fall short in robustly handling 'natural' image translations that simulate a subtle change in camera orientation. Our findings reveal that a mere one-pixel translation can result in a significant change in the predicted image representation for approximately 40% of the test images in state-of-the-art models (e.g. open-CLIP trained on LAION-2B or DINO-v2) , while models that are explicitly constructed to be robust to cyclic translations can still be fooled with 1 pixel realistic (non-cyclic) translations 11% of the time. We present Robust Inference by Crop Selection: a simple method that can be proven to achieve any desired level of consistency, although with a modest tradeoff with the model's accuracy. Importantly, we demonstrate how employing this method reduces the ability to fool state-of-the-art models with a 1 pixel translation to less than 5% while suffering from only a 1% drop in classification accuracy. Additionally, we show that our method can be easy adjusted to deal with circular shifts as well. In such case we achieve 100% robustness to integer shifts with state-of-the-art accuracy, and with no need for any further training.

Recent advances in large vision-language models (LVLMs) have shown promise for embodied task planning, yet they struggle with fundamental challenges like dependency constraints and efficiency. Existing approaches either solely optimize action selection or leverage world models during inference, overlooking the benefits of learning to model the world as a way to enhance planning capabilities. We propose Dual Preference Optimization (D^2PO), a new learning framework that jointly optimizes state prediction and action selection through preference learning, enabling LVLMs to understand environment dynamics for better planning. To automatically collect trajectories and stepwise preference data without human annotation, we introduce a tree search mechanism for extensive exploration via trial-and-error. Extensive experiments on VoTa-Bench demonstrate that our D^2PO-based method significantly outperforms existing methods and GPT-4o when applied to Qwen2-VL (7B), LLaVA-1.6 (7B), and LLaMA-3.2 (11B), achieving superior task success rates with more efficient execution paths.

Human beings naturally utilize multiple reasoning modalities to learn and solve logical problems, i.e., different representational formats such as natural language, code, and symbolic logic. In contrast, most existing LLM-based approaches operate with a single reasoning modality during training, typically natural language. Although some methods explored modality selection or augmentation at inference time, the training process remains modality-blind, limiting synergy among modalities. To fill in this gap, we propose Mixture-of-Thought (MoT), a framework that enables LLMs to reason across three complementary modalities: natural language, code, and a newly introduced symbolic modality, truth-table, which systematically enumerates logical cases and partially mitigates key failure modes in natural language reasoning. MoT adopts a two-phase design: (1) self-evolving MoT training, which jointly learns from filtered, self-generated rationales across modalities; and (2) MoT inference, which fully leverages the synergy of three modalities to produce better predictions. Experiments on logical reasoning benchmarks including FOLIO and ProofWriter demonstrate that our MoT framework consistently and significantly outperforms strong LLM baselines with single-modality chain-of-thought approaches, achieving up to +11.7pp average accuracy gain. Further analyses show that our MoT framework benefits both training and inference stages; that it is particularly effective on harder logical reasoning problems; and that different modalities contribute complementary strengths, with truth-table reasoning helping to overcome key bottlenecks in natural language inference.

The training and fine-tuning of large language models (LLMs) often involve diverse textual data from multiple sources, which poses challenges due to conflicting gradient directions, hindering optimization and specialization. These challenges can undermine model generalization across tasks, resulting in reduced downstream performance. Recent research suggests that fine-tuning LLMs on carefully selected, task-specific subsets of data can match or even surpass the performance of using the entire dataset. Building on these insights, we propose the Ensembles of Low-Rank Expert Adapters (ELREA) framework to improve the model's capability to handle diverse tasks. ELREA clusters the training instructions based on their gradient directions, representing different areas of expertise and thereby reducing conflicts during optimization. Expert adapters are then trained on these clusters, utilizing the low-rank adaptation (LoRA) technique to ensure training efficiency and model scalability. During inference, ELREA combines predictions from the most relevant expert adapters based on the input data's gradient similarity to the training clusters, ensuring optimal adapter selection for each task. Experiments show that our method outperforms baseline LoRA adapters trained on the full dataset and other ensemble approaches with similar training and inference complexity across a range of domain-specific tasks.

State-of-the-art rehearsal-free continual learning methods exploit the peculiarities of Vision Transformers to learn task-specific prompts, drastically reducing catastrophic forgetting. However, there is a tradeoff between the number of learned parameters and the performance, making such models computationally expensive. In this work, we aim to reduce this cost while maintaining competitive performance. We achieve this by revisiting and extending a simple transfer learning idea: learning task-specific normalization layers. Specifically, we tune the scale and bias parameters of LayerNorm for each continual learning task, selecting them at inference time based on the similarity between task-specific keys and the output of the pre-trained model. To make the classifier robust to incorrect selection of parameters during inference, we introduce a two-stage training procedure, where we first optimize the task-specific parameters and then train the classifier with the same selection procedure of the inference time. Experiments on ImageNet-R and CIFAR-100 show that our method achieves results that are either superior or on par with {the state of the art} while being computationally cheaper.

Recent advances have witnessed the effectiveness of reinforcement learning (RL) finetuning in enhancing the reasoning capabilities of large language models (LLMs). The optimization process often requires numerous iterations to achieve satisfactory performance, resulting in high computational costs due to the need for frequent prompt evaluations under intensive LLM interactions and repeated policy updates. Appropriate online prompt selection methods reduce iteration steps by prioritizing informative prompts during training, while the pipeline's reliance on exhaustive prompt evaluation and subset selection for optimization still incurs substantial computational overhead due to frequent LLM inference calls. Distinguished from these direct evaluate-then-select schemes, this work investigates iterative approximate evaluation for arbitrary prompts and introduces Model Predictive Prompt Selection (MoPPS), a Bayesian risk-predictive framework that online estimates prompt difficulty without requiring costly LLM interactions. Technically, MoPPS models each prompt's success rate as a latent variable, performs streaming Bayesian inference, and employs posterior sampling in a constructed multi-armed bandit machine, enabling sample efficient and adaptive prompt selection. Extensive experiments across mathematics, planning, and vision-based geometry tasks show that MoPPS reliably predicts prompt difficulty and accelerates training with significantly reduced LLM rollouts.

The segmentation of forest LiDAR 3D point clouds, including both individual tree and semantic segmentation, is fundamental for advancing forest management and ecological research. However, current approaches often struggle with the complexity and variability of natural forest environments. We present ForestFormer3D, a new unified and end-to-end framework designed for precise individual tree and semantic segmentation. ForestFormer3D incorporates ISA-guided query point selection, a score-based block merging strategy during inference, and a one-to-many association mechanism for effective training. By combining these new components, our model achieves state-of-the-art performance for individual tree segmentation on the newly introduced FOR-instanceV2 dataset, which spans diverse forest types and regions. Additionally, ForestFormer3D generalizes well to unseen test sets (Wytham woods and LAUTx), showcasing its robustness across different forest conditions and sensor modalities. The FOR-instanceV2 dataset and the ForestFormer3D code are publicly available at https://bxiang233.github.io/FF3D/.

Video try-on stands as a promising area for its tremendous real-world potential. Prior works are limited to transferring product clothing images onto person videos with simple poses and backgrounds, while underperforming on casually captured videos. Recently, Sora revealed the scalability of Diffusion Transformer (DiT) in generating lifelike videos featuring real-world scenarios. Inspired by this, we explore and propose the first DiT-based video try-on framework for practical in-the-wild applications, named VITON-DiT. Specifically, VITON-DiT consists of a garment extractor, a Spatial-Temporal denoising DiT, and an identity preservation ControlNet. To faithfully recover the clothing details, the extracted garment features are fused with the self-attention outputs of the denoising DiT and the ControlNet. We also introduce novel random selection strategies during training and an Interpolated Auto-Regressive (IAR) technique at inference to facilitate long video generation. Unlike existing attempts that require the laborious and restrictive construction of a paired training dataset, severely limiting their scalability, VITON-DiT alleviates this by relying solely on unpaired human dance videos and a carefully designed multi-stage training strategy. Furthermore, we curate a challenging benchmark dataset to evaluate the performance of casual video try-on. Extensive experiments demonstrate the superiority of VITON-DiT in generating spatio-temporal consistent try-on results for in-the-wild videos with complicated human poses.

The integration of machine learning (ML) in numerous critical applications introduces a range of privacy concerns for individuals who provide their datasets for model training. One such privacy risk is Membership Inference (MI), in which an attacker seeks to determine whether a particular data sample was included in the training dataset of a model. Current state-of-the-art MI attacks capitalize on access to the model's predicted confidence scores to successfully perform membership inference, and employ data poisoning to further enhance their effectiveness. In this work, we focus on the less explored and more realistic label-only setting, where the model provides only the predicted label on a queried sample. We show that existing label-only MI attacks are ineffective at inferring membership in the low False Positive Rate (FPR) regime. To address this challenge, we propose a new attack Chameleon that leverages a novel adaptive data poisoning strategy and an efficient query selection method to achieve significantly more accurate membership inference than existing label-only attacks, especially at low FPRs.

Recent works on neural network pruning advocate that reducing the depth of the network is more effective in reducing run-time memory usage and accelerating inference latency than reducing the width of the network through channel pruning. In this regard, some recent works propose depth compression algorithms that merge convolution layers. However, the existing algorithms have a constricted search space and rely on human-engineered heuristics. In this paper, we propose a novel depth compression algorithm which targets general convolution operations. We propose a subset selection problem that replaces inefficient activation layers with identity functions and optimally merges consecutive convolution operations into shallow equivalent convolution operations for efficient end-to-end inference latency. Since the proposed subset selection problem is NP-hard, we formulate a surrogate optimization problem that can be solved exactly via two-stage dynamic programming within a few seconds. We evaluate our methods and baselines by TensorRT for a fair inference latency comparison. Our method outperforms the baseline method with higher accuracy and faster inference speed in MobileNetV2 on the ImageNet dataset. Specifically, we achieve 1.41times speed-up with 0.11\%p accuracy gain in MobileNetV2-1.0 on the ImageNet.

Recent agent frameworks and inference-time algorithms often struggle with complex planning problems due to limitations in verifying generated plans or reasoning and varying complexity of instances within a single task. Many existing methods for these tasks either perform task-level verification without considering constraints or apply inference-time algorithms without adapting to instance-level complexity. To address these limitations, we propose PlanGEN, a model-agnostic and easily scalable agent framework with three key components: constraint, verification, and selection agents. Specifically, our approach proposes constraint-guided iterative verification to enhance performance of inference-time algorithms--Best of N, Tree-of-Thought, and REBASE. In PlanGEN framework, the selection agent optimizes algorithm choice based on instance complexity, ensuring better adaptability to complex planning problems. Experimental results demonstrate significant improvements over the strongest baseline across multiple benchmarks, achieving state-of-the-art results on NATURAL PLAN (sim8%uparrow), OlympiadBench (sim4%uparrow), DocFinQA (sim7%uparrow), and GPQA (sim1%uparrow). Our key finding highlights that constraint-guided iterative verification improves inference-time algorithms, and adaptive selection further boosts performance on complex planning and reasoning problems.

Ensembling neural machine translation (NMT) models to produce higher-quality translations than the L individual models has been extensively studied. Recent methods typically employ a candidate selection block (CSB) and an encoder-decoder fusion block (FB), requiring inference across all candidate models, leading to significant computational overhead, generally Omega(L). This paper introduces SmartGen, a reinforcement learning (RL)-based strategy that improves the CSB by selecting a small, fixed number of candidates and identifying optimal groups to pass to the fusion block for each input sentence. Furthermore, previously, the CSB and FB were trained independently, leading to suboptimal NMT performance. Our DQN-based SmartGen addresses this by using feedback from the FB block as a reward during training. We also resolve a key issue in earlier methods, where candidates were passed to the FB without modification, by introducing a Competitive Correction Block (CCB). Finally, we validate our approach with extensive experiments on English-Hindi translation tasks in both directions.

The pretrain+fine-tune paradigm is foundational in deploying large language models (LLMs) across a diverse range of downstream applications. Among these, Low-Rank Adaptation (LoRA) stands out for its parameter-efficient fine-tuning (PEFT), producing numerous off-the-shelf task-specific LoRA adapters. However, this approach requires explicit task intention selection, posing challenges for automatic task sensing and switching during inference with multiple existing LoRA adapters embedded in a single LLM. In this work, we introduce MeteoRA (Multiple-Tasks embedded LoRA), a scalable multi-knowledge LoRA fusion framework designed for LLMs. MeteoRA integrates various LoRA adapters in a Mixture-of-Experts (MoE) style into the base LLM, enabling the model to automatically select the most pertinent adapter based on the task input. This advancement significantly enhances the LLM's capability to handle composite tasks that require different adapters to solve various components of the problem. Our evaluations, featuring the LlaMA2-13B and LlaMA3-8B base models equipped with off-the-shelf 28 LoRA adapters through MeteoRA, demonstrate equivalent performance with the individual adapters. Furthermore, both base models equipped with MeteoRA achieve superior performance in sequentially solving composite tasks with ten problems in only a single inference process, highlighting the ability of timely intention switching in MeteoRA embedded LLMs.

Nowadays, with the rising number of sensors in sectors such as healthcare and industry, the problem of multivariate time series classification (MTSC) is getting increasingly relevant and is a prime target for machine and deep learning approaches. Their expanding adoption in real-world environments is causing a shift in focus from the pursuit of ever-higher prediction accuracy with complex models towards practical, deployable solutions that balance accuracy and parameters such as prediction speed. An MTSC model that has attracted attention recently is ROCKET, based on random convolutional kernels, both because of its very fast training process and its state-of-the-art accuracy. However, the large number of features it utilizes may be detrimental to inference time. Examining its theoretical background and limitations enables us to address potential drawbacks and present LightWaveS: a framework for accurate MTSC, which is fast both during training and inference. Specifically, utilizing wavelet scattering transformation and distributed feature selection, we manage to create a solution that employs just 2.5% of the ROCKET features, while achieving accuracy comparable to recent MTSC models. LightWaveS also scales well across multiple compute nodes and with the number of input channels during training. In addition, it can significantly reduce the input size and provide insight to an MTSC problem by keeping only the most useful channels. We present three versions of our algorithm and their results on distributed training time and scalability, accuracy, and inference speedup. We show that we achieve speedup ranging from 9x to 53x compared to ROCKET during inference on an edge device, on datasets with comparable accuracy.

Auto-regressive Large Language Models (LLMs) demonstrate remarkable performance across different domains such as vision and language processing. However, due to sequential processing through a stack of transformer layers, autoregressive decoding faces significant computation/latency challenges, particularly in resource-constrained environments like mobile and edge devices. Existing approaches in literature that aim to improve latency via skipping layers have two distinct flavors - 1) Early exit, and 2) Input-agnostic heuristics where tokens exit at pre-determined layers irrespective of input sequence. Both the above strategies have limitations - the former cannot be applied to handle KV Caching necessary for speed-ups in modern framework and the latter does not capture the variation in layer importance across tasks or more generally, across input sequences. To address both limitations, we propose FiRST, an algorithm that reduces inference latency by using layer-specific routers to select a subset of transformer layers adaptively for each input sequence - the prompt (during the prefill stage) decides which layers will be skipped during decoding. FiRST preserves compatibility with KV caching enabling faster inference while being quality-aware. FiRST is model-agnostic and can be easily enabled on any pre-trained LLM. Our approach reveals that input adaptivity is critical - indeed, different task-specific middle layers play a crucial role in evolving hidden representations depending on tasks. Extensive experiments show that FiRST significantly reduces latency while outperforming other layer selection strategies in quality metics. It retains competitive performance to base model (without layer skipping) and in some cases, even improves upon it. FiRST is thus a promising and efficient solution for LLM deployment in low-resource environments.

Large language model (LLM) agents have been shown effective on a wide range of tasks, and by ensembling multiple LLM agents, their performances could be further improved. Existing approaches employ a fixed set of agents to interact with each other in a static architecture, which limits their generalizability to various tasks and requires strong human prior in designing these agents. In this work, we propose to construct a strategic team of agents communicating in a dynamic interaction architecture based on the task query. Specifically, we build a framework named Dynamic LLM-Agent Network (DyLAN) for LLM-agent collaboration on complicated tasks like reasoning and code generation. DyLAN enables agents to interact for multiple rounds in a dynamic architecture with inference-time agent selection and an early-stopping mechanism to improve performance and efficiency. We further design an automatic agent team optimization algorithm based on an unsupervised metric termed Agent Importance Score, enabling the selection of best agents based on the contribution each agent makes. Empirically, we demonstrate that DyLAN performs well in both reasoning and code generation tasks with reasonable computational cost. DyLAN achieves 13.0% and 13.3% improvement on MATH and HumanEval, respectively, compared to a single execution on GPT-35-turbo. On specific subjects of MMLU, agent team optimization in DyLAN increases accuracy by up to 25.0%.

Offline reinforcement learning (RL) methodologies enforce constraints on the policy to adhere closely to the behavior policy, thereby stabilizing value learning and mitigating the selection of out-of-distribution (OOD) actions during test time. Conventional approaches apply identical constraints for both value learning and test time inference. However, our findings indicate that the constraints suitable for value estimation may in fact be excessively restrictive for action selection during test time. To address this issue, we propose a Mildly Constrained Evaluation Policy (MCEP) for test time inference with a more constrained target policy for value estimation. Since the target policy has been adopted in various prior approaches, MCEP can be seamlessly integrated with them as a plug-in. We instantiate MCEP based on TD3-BC [Fujimoto and Gu, 2021] and AWAC [Nair et al., 2020] algorithms. The empirical results on MuJoCo locomotion tasks show that the MCEP significantly outperforms the target policy and achieves competitive results to state-of-the-art offline RL methods. The codes are open-sourced at https://github.com/egg-west/MCEP.git.

Autoregressive models (ARMs) have long dominated the landscape of biomedical vision-language models (VLMs). Recently, masked diffusion models such as LLaDA have emerged as promising alternatives, yet their application in the biomedical domain remains largely underexplored. To bridge this gap, we introduce LLaDA-MedV, the first large language diffusion model tailored for biomedical image understanding through vision instruction tuning. LLaDA-MedV achieves relative performance gains of 7.855\% over LLaVA-Med and 1.867\% over LLaDA-V in the open-ended biomedical visual conversation task, and sets new state-of-the-art accuracy on the closed-form subset of three VQA benchmarks: 84.93\% on VQA-RAD, 92.31\% on SLAKE, and 95.15\% on PathVQA. Furthermore, a detailed comparison with LLaVA-Med suggests that LLaDA-MedV is capable of generating reasonably longer responses by explicitly controlling response length, which can lead to more informative outputs. We also conduct an in-depth analysis of both the training and inference stages, highlighting the critical roles of initialization weight selection, fine-tuning strategies, and the interplay between sampling steps and response repetition. The code and model weight is released at https://github.com/LLM-VLM-GSL/LLaDA-MedV.

Abstract reasoning is a key ability for an intelligent system. Large language models achieve above-chance performance on abstract reasoning tasks, but exhibit many imperfections. However, human abstract reasoning is also imperfect, and depends on our knowledge and beliefs about the content of the reasoning problem. For example, humans reason much more reliably about logical rules that are grounded in everyday situations than arbitrary rules about abstract attributes. The training experiences of language models similarly endow them with prior expectations that reflect human knowledge and beliefs. We therefore hypothesized that language models would show human-like content effects on abstract reasoning problems. We explored this hypothesis across three logical reasoning tasks: natural language inference, judging the logical validity of syllogisms, and the Wason selection task (Wason, 1968). We find that state of the art large language models (with 7 or 70 billion parameters; Hoffman et al., 2022) reflect many of the same patterns observed in humans across these tasks -- like humans, models reason more effectively about believable situations than unrealistic or abstract ones. Our findings have implications for understanding both these cognitive effects, and the factors that contribute to language model performance.

While in-context Learning (ICL) has proven to be an effective technique to improve the performance of Large Language Models (LLMs) in a variety of complex tasks, notably in translating natural language questions into Structured Query Language (NL2SQL), the question of how to select the most beneficial demonstration examples remains an open research problem. While prior works often adapted off-the-shelf encoders to retrieve examples dynamically, an inherent discrepancy exists in the representational capacities between the external retrievers and the LLMs. Further, optimizing the selection of examples is a non-trivial task, since there are no straightforward methods to assess the relative benefits of examples without performing pairwise inference. To address these shortcomings, we propose DeTriever, a novel demonstration retrieval framework that learns a weighted combination of LLM hidden states, where rich semantic information is encoded. To train the model, we propose a proxy score that estimates the relative benefits of examples based on the similarities between output queries. Experiments on two popular NL2SQL benchmarks demonstrate that our method significantly outperforms the state-of-the-art baselines on one-shot NL2SQL tasks.

Retrieval-augmented generation (RAG) has emerged as a foundational paradigm for knowledge-grounded text generation. However, existing RAG pipelines often fail to ensure that the reasoning trajectories align with the evidential constraints imposed by retrieved content. In this paper, we reframe RAG as a problem of retrieval-aware reasoning and identify a core challenge: reasoning misalignment-the mismatch between a model's reasoning trajectory and the retrieved evidence. To address this challenge, we propose AlignRAG, a novel test-time framework that mitigates reasoning misalignment through iterative Critique-Driven Alignment (CDA) steps. In contrast to prior approaches that rely on static training or post-hoc selection, AlignRAG actively refines reasoning trajectories during inference by enforcing fine-grained alignment with evidence. Our framework introduces a new paradigm for retrieval-aware reasoning by: (1) constructing context-rich training corpora; (2) generating contrastive critiques from preference-aware reasoning trajectories; (3) training a dedicated Critic Language Model (CLM) to identify reasoning misalignments; and (4) applying CDA steps to optimize reasoning trajectories iteratively. Empirical results demonstrate that AlignRAG consistently outperforms all baselines and could integrate as a plug-and-play module into existing RAG pipelines without further changes. By reconceptualizing RAG as a structured reasoning trajectory and establishing the test-time framework for correcting reasoning misalignments in RAG, AlignRAG provides practical advancements for retrieval-aware generation.

Large video-language models (VLMs) have demonstrated promising progress in various video understanding tasks. However, their effectiveness in long-form video analysis is constrained by limited context windows. Traditional approaches, such as uniform frame sampling, often inevitably allocate resources to irrelevant content, diminishing their effectiveness in real-world scenarios. In this paper, we introduce BOLT, a method to BOost Large VLMs without additional Training through a comprehensive study of frame selection strategies. First, to enable a more realistic evaluation of VLMs in long-form video understanding, we propose a multi-source retrieval evaluation setting. Our findings reveal that uniform sampling performs poorly in noisy contexts, underscoring the importance of selecting the right frames. Second, we explore several frame selection strategies based on query-frame similarity and analyze their effectiveness at inference time. Our results show that inverse transform sampling yields the most significant performance improvement, increasing accuracy on the Video-MME benchmark from 53.8% to 56.1% and MLVU benchmark from 58.9% to 63.4%. Our code is available at https://github.com/sming256/BOLT.

For general users, training a neural network from scratch is usually challenging and labor-intensive. Fortunately, neural network zoos enable them to find a well-performing model for directly use or fine-tuning it in their local environments. Although current model retrieval solutions attempt to convert neural network models into vectors to avoid complex multiple inference processes required for model selection, it is still difficult to choose a suitable model due to inaccurate vectorization and biased correlation alignment between the query dataset and models. From the perspective of knowledge consistency, i.e., whether the knowledge possessed by the model can meet the needs of query tasks, we propose a model retrieval scheme, named Know2Vec, that acts as a black-box retrieval proxy for model zoo. Know2Vec first accesses to models via a black-box interface in advance, capturing vital decision knowledge from models while ensuring their privacy. Next, it employs an effective encoding technique to transform the knowledge into precise model vectors. Secondly, it maps the user's query task to a knowledge vector by probing the semantic relationships within query samples. Furthermore, the proxy ensures the knowledge-consistency between query vector and model vectors within their alignment space, which is optimized through the supervised learning with diverse loss functions, and finally it can identify the most suitable model for a given task during the inference stage. Extensive experiments show that our Know2Vec achieves superior retrieval accuracy against the state-of-the-art methods in diverse neural network retrieval tasks.

A privacy policy is a document that states how a company intends to handle and manage their customers' personal data. One of the problems that arises with these privacy policies is that their content might violate data privacy regulations. Because of the enormous number of privacy policies that exist, the only realistic way to check for legal inconsistencies in all of them is through an automated method. In this work, we use Natural Language Inference (NLI) techniques to compare privacy regulations against sections of privacy policies from a selection of large companies. Our NLI model uses pre-trained embeddings, along with BiLSTM in its attention mechanism. We tried two versions of our model: one that was trained on the Stanford Natural Language Inference (SNLI) and the second on the Multi-Genre Natural Language Inference (MNLI) dataset. We found that our test accuracy was higher on our model trained on the SNLI, but when actually doing NLI tasks on real world privacy policies, the model trained on MNLI generalized and performed much better.

Existing Referring Image Segmentation (RIS) methods typically require expensive pixel-level or box-level annotations for supervision. In this paper, we observe that the referring texts used in RIS already provide sufficient information to localize the target object. Hence, we propose a novel weakly-supervised RIS framework to formulate the target localization problem as a classification process to differentiate between positive and negative text expressions. While the referring text expressions for an image are used as positive expressions, the referring text expressions from other images can be used as negative expressions for this image. Our framework has three main novelties. First, we propose a bilateral prompt method to facilitate the classification process, by harmonizing the domain discrepancy between visual and linguistic features. Second, we propose a calibration method to reduce noisy background information and improve the correctness of the response maps for target object localization. Third, we propose a positive response map selection strategy to generate high-quality pseudo-labels from the enhanced response maps, for training a segmentation network for RIS inference. For evaluation, we propose a new metric to measure localization accuracy. Experiments on four benchmarks show that our framework achieves promising performances to existing fully-supervised RIS methods while outperforming state-of-the-art weakly-supervised methods adapted from related areas. Code is available at https://github.com/fawnliu/TRIS.

Understanding real-world videos with complex semantics and long temporal dependencies remains a fundamental challenge in computer vision. Recent progress in multimodal large language models (MLLMs) has demonstrated strong capabilities in vision-language tasks, while reinforcement learning tuning (RLT) has further improved their reasoning abilities. In this work, we explore RLT as a post-training strategy to enhance the video-specific reasoning capabilities of MLLMs. Built upon the Group Relative Policy Optimization (GRPO) framework, we propose a dual-reward formulation that supervises both semantic and temporal reasoning through discrete and continuous reward signals. To facilitate effective preference-based optimization, we introduce a variance-aware data selection strategy based on repeated inference to identify samples that provide informative learning signals. We evaluate our approach across eight representative video understanding tasks, including VideoQA, Temporal Video Grounding, and Grounded VideoQA. Our method consistently outperforms supervised fine-tuning and existing RLT baselines, achieving superior performance with significantly less training data. These results underscore the importance of reward design and data selection in advancing reasoning-centric video understanding with MLLMs. Notably, The initial code release (two months ago) has now been expanded with updates, including optimized reward mechanisms and additional datasets. The latest version is available at https://github.com/appletea233/Temporal-R1 .

Transformer-based models have achieved great success on sentence pair modeling tasks, such as answer selection and natural language inference (NLI). These models generally perform cross-attention over input pairs, leading to prohibitive computational costs. Recent studies propose dual-encoder and late interaction architectures for faster computation. However, the balance between the expressive of cross-attention and computation speedup still needs better coordinated. To this end, this paper introduces a novel paradigm MixEncoder for efficient sentence pair modeling. MixEncoder involves a light-weight cross-attention mechanism. It conducts query encoding only once while modeling the query-candidate interaction in parallel. Extensive experiments conducted on four tasks demonstrate that our MixEncoder can speed up sentence pairing by over 113x while achieving comparable performance as the more expensive cross-attention models.

Causal analysis plays a foundational role in scientific discovery and reliable decision-making, yet it remains largely inaccessible to domain experts due to its conceptual and algorithmic complexity. This disconnect between causal methodology and practical usability presents a dual challenge: domain experts are unable to leverage recent advances in causal learning, while causal researchers lack broad, real-world deployment to test and refine their methods. To address this, we introduce Causal-Copilot, an autonomous agent that operationalizes expert-level causal analysis within a large language model framework. Causal-Copilot automates the full pipeline of causal analysis for both tabular and time-series data -- including causal discovery, causal inference, algorithm selection, hyperparameter optimization, result interpretation, and generation of actionable insights. It supports interactive refinement through natural language, lowering the barrier for non-specialists while preserving methodological rigor. By integrating over 20 state-of-the-art causal analysis techniques, our system fosters a virtuous cycle -- expanding access to advanced causal methods for domain experts while generating rich, real-world applications that inform and advance causal theory. Empirical evaluations demonstrate that Causal-Copilot achieves superior performance compared to existing baselines, offering a reliable, scalable, and extensible solution that bridges the gap between theoretical sophistication and real-world applicability in causal analysis. A live interactive demo of Causal-Copilot is available at https://causalcopilot.com/.

The rapid development of Large Language Models (LLMs) for healthcare applications has spurred calls for holistic evaluation beyond frequently-cited benchmarks like USMLE, to better reflect real-world performance. While real-world assessments are valuable indicators of utility, they often lag behind the pace of LLM evolution, likely rendering findings obsolete upon deployment. This temporal disconnect necessitates a comprehensive upfront evaluation that can guide model selection for specific clinical applications. We introduce MEDIC, a framework assessing LLMs across five critical dimensions of clinical competence: medical reasoning, ethics and bias, data and language understanding, in-context learning, and clinical safety. MEDIC features a novel cross-examination framework quantifying LLM performance across areas like coverage and hallucination detection, without requiring reference outputs. We apply MEDIC to evaluate LLMs on medical question-answering, safety, summarization, note generation, and other tasks. Our results show performance disparities across model sizes, baseline vs medically finetuned models, and have implications on model selection for applications requiring specific model strengths, such as low hallucination or lower cost of inference. MEDIC's multifaceted evaluation reveals these performance trade-offs, bridging the gap between theoretical capabilities and practical implementation in healthcare settings, ensuring that the most promising models are identified and adapted for diverse healthcare applications.

In this paper, we propose to leverage the unique characteristics of dialogues sharing commonsense knowledge across participants, to resolve the difficulties in summarizing them. We present SICK, a framework that uses commonsense inferences as additional context. Compared to previous work that solely relies on the input dialogue, SICK uses an external knowledge model to generate a rich set of commonsense inferences and selects the most probable one with a similarity-based selection method. Built upon SICK, SICK++ utilizes commonsense as supervision, where the task of generating commonsense inferences is added upon summarizing the dialogue in a multi-task learning setting. Experimental results show that with injected commonsense knowledge, our framework generates more informative and consistent summaries than existing methods.

Video understanding is fundamental to tasks such as action recognition, video reasoning, and robotic control. Early video understanding methods based on large vision-language models (LVLMs) typically adopt a single-pass reasoning paradigm without dynamic feedback, limiting the model's capacity to self-correct and adapt in complex scenarios. Recent efforts have attempted to address this limitation by incorporating reward models and reinforcement learning to enhance reasoning, or by employing tool-agent frameworks. However, these approaches face several challenges, including high annotation costs, reward signals that fail to capture real-time reasoning states, and low inference efficiency. To overcome these issues, we propose ReAgent-V, a novel agentic video understanding framework that integrates efficient frame selection with real-time reward generation during inference. These reward signals not only guide iterative answer refinement through a multi-perspective reflection mechanism-adjusting predictions from conservative, neutral, and aggressive viewpoints-but also enable automatic filtering of high-quality data for supervised fine-tuning (SFT), direct preference optimization (DPO), and group relative policy optimization (GRPO). ReAgent-V is lightweight, modular, and extensible, supporting flexible tool integration tailored to diverse tasks. Extensive experiments on 12 datasets across three core applications-video understanding, video reasoning enhancement, and vision-language-action model alignment-demonstrate significant gains in generalization and reasoning, with improvements of up to 6.9%, 2.1%, and 9.8%, respectively, highlighting the effectiveness and versatility of the proposed framework.

Reasoning is central to a wide range of intellectual activities, and while the capabilities of large language models (LLMs) continue to advance, their performance in reasoning tasks remains limited. The processes and mechanisms underlying reasoning are not yet fully understood, but key elements include path exploration, selection of relevant knowledge, and multi-step inference. Problems are solved through the synthesis of these components. In this paper, we propose a benchmark that focuses on a specific aspect of reasoning ability: the direct evaluation of multi-step inference. To this end, we design a special reasoning task where multi-step inference is specifically focused by largely eliminating path exploration and implicit knowledge utilization. Our dataset comprises pairs of explicit instructions and corresponding questions, where the procedures necessary for solving the questions are entirely detailed within the instructions. This setup allows models to solve problems solely by following the provided directives. By constructing problems that require varying numbers of steps to solve and evaluating responses at each step, we enable a thorough assessment of state-of-the-art LLMs' ability to follow instructions. To ensure the robustness of our evaluation, we include multiple distinct tasks. Furthermore, by comparing accuracy across tasks, utilizing step-aware metrics, and applying separately defined measures of complexity, we conduct experiments that offer insights into the capabilities and limitations of LLMs in reasoning tasks. Our findings have significant implications for the development of LLMs and highlight areas for future research in advancing their reasoning abilities. Our dataset is available at https://huggingface.co/datasets/ifujisawa/procbench and code at https://github.com/ifujisawa/proc-bench.

Agent self-improvement, where the backbone Large Language Model (LLM) of the agent are trained on trajectories sampled autonomously based on their own policies, has emerged as a promising approach for enhancing performance. Recent advancements, particularly in web environments, face a critical limitation: their performance will reach a stagnation point during autonomous learning cycles, hindering further improvement. We argue that this stems from limited exploration of the web environment and insufficient exploitation of pre-trained web knowledge in LLMs. To improve the performance of self-improvement, we propose a novel framework that introduces a co-evolving World Model LLM. This world model predicts the next observation based on the current observation and action within the web environment. Leveraging LLMs' pretrained knowledge of abundant web content, the World Model serves dual roles: (1) as a virtual web server generating self-instructed training data to continuously refine the agent's policy, and (2) as an imagination engine during inference, enabling look-ahead simulation to guide action selection for the agent LLM. Experiments in real-world web environments (Mind2Web-Live, WebVoyager, and GAIA-web) show a 10% performance gain over existing self-evolving agents, demonstrating the efficacy and generalizability of our approach, without using any distillation from more powerful close-sourced models. Our work establishes the necessity of integrating world models into autonomous agent frameworks to unlock sustained adaptability.

Single image depth estimation is a foundational task in computer vision and generative modeling. However, prevailing depth estimation models grapple with accommodating the increasing resolutions commonplace in today's consumer cameras and devices. Existing high-resolution strategies show promise, but they often face limitations, ranging from error propagation to the loss of high-frequency details. We present PatchFusion, a novel tile-based framework with three key components to improve the current state of the art: (1) A patch-wise fusion network that fuses a globally-consistent coarse prediction with finer, inconsistent tiled predictions via high-level feature guidance, (2) A Global-to-Local (G2L) module that adds vital context to the fusion network, discarding the need for patch selection heuristics, and (3) A Consistency-Aware Training (CAT) and Inference (CAI) approach, emphasizing patch overlap consistency and thereby eradicating the necessity for post-processing. Experiments on UnrealStereo4K, MVS-Synth, and Middleburry 2014 demonstrate that our framework can generate high-resolution depth maps with intricate details. PatchFusion is independent of the base model for depth estimation. Notably, our framework built on top of SOTA ZoeDepth brings improvements for a total of 17.3% and 29.4% in terms of the root mean squared error (RMSE) on UnrealStereo4K and MVS-Synth, respectively.

Parameter inference, i.e. inferring the posterior distribution of the parameters of a statistical model given some data, is a central problem to many scientific disciplines. Generative models can be used as an alternative to Markov Chain Monte Carlo methods for conducting posterior inference, both in likelihood-based and simulation-based problems. However, assessing the accuracy of posteriors encoded in generative models is not straightforward. In this paper, we introduce `Tests of Accuracy with Random Points' (TARP) coverage testing as a method to estimate coverage probabilities of generative posterior estimators. Our method differs from previously-existing coverage-based methods, which require posterior evaluations. We prove that our approach is necessary and sufficient to show that a posterior estimator is accurate. We demonstrate the method on a variety of synthetic examples, and show that TARP can be used to test the results of posterior inference analyses in high-dimensional spaces. We also show that our method can detect inaccurate inferences in cases where existing methods fail.

Generative reward models with parallel sampling have enabled effective test-time scaling for reasoning tasks. Current approaches employ pointwise scoring of individual solutions or pairwise comparisons. However, pointwise methods underutilize LLMs' comparative abilities, while pairwise methods scale inefficiently with larger sampling budgets. We introduce GenSelect, where the LLM uses long reasoning to select the best solution among N candidates. This leverages LLMs' comparative strengths while scaling efficiently across parallel sampling budgets. For math reasoning, we demonstrate that reasoning models, such as QwQ and DeepSeek-R1-0528, excel at GenSelect, outperforming existing scoring approaches with simple prompting.

Multiple types of inference are available for probabilistic graphical models, e.g., marginal, maximum-a-posteriori, and even marginal maximum-a-posteriori. Which one do researchers mean when they talk about ``planning as inference''? There is no consistency in the literature, different types are used, and their ability to do planning is further entangled with specific approximations or additional constraints. In this work we use the variational framework to show that, just like all commonly used types of inference correspond to different weightings of the entropy terms in the variational problem, planning corresponds exactly to a different set of weights. This means that all the tricks of variational inference are readily applicable to planning. We develop an analogue of loopy belief propagation that allows us to perform approximate planning in factored-state Markov decisions processes without incurring intractability due to the exponentially large state space. The variational perspective shows that the previous types of inference for planning are only adequate in environments with low stochasticity, and allows us to characterize each type by its own merits, disentangling the type of inference from the additional approximations that its practical use requires. We validate these results empirically on synthetic MDPs and tasks posed in the International Planning Competition.

Variational inference using the reparameterization trick has enabled large-scale approximate Bayesian inference in complex probabilistic models, leveraging stochastic optimization to sidestep intractable expectations. The reparameterization trick is applicable when we can simulate a random variable by applying a differentiable deterministic function on an auxiliary random variable whose distribution is fixed. For many distributions of interest (such as the gamma or Dirichlet), simulation of random variables relies on acceptance-rejection sampling. The discontinuity introduced by the accept-reject step means that standard reparameterization tricks are not applicable. We propose a new method that lets us leverage reparameterization gradients even when variables are outputs of a acceptance-rejection sampling algorithm. Our approach enables reparameterization on a larger class of variational distributions. In several studies of real and synthetic data, we show that the variance of the estimator of the gradient is significantly lower than other state-of-the-art methods. This leads to faster convergence of stochastic gradient variational inference.

Should prediction models always deliver a prediction? In the pursuit of maximum predictive performance, critical considerations of reliability and fairness are often overshadowed, particularly when it comes to the role of uncertainty. Selective regression, also known as the "reject option," allows models to abstain from predictions in cases of considerable uncertainty. Initially proposed seven decades ago, approaches to selective regression have mostly focused on distribution-based proxies for measuring uncertainty, particularly conditional variance. However, this focus neglects the significant influence of model-specific biases on a model's performance. In this paper, we propose a novel approach to selective regression by leveraging conformal prediction, which provides grounded confidence measures for individual predictions based on model-specific biases. In addition, we propose a standardized evaluation framework to allow proper comparison of selective regression approaches. Via an extensive experimental approach, we demonstrate how our proposed approach, conformalized selective regression, demonstrates an advantage over multiple state-of-the-art baselines.

We present a modular semantic account of Bayesian inference algorithms for probabilistic programming languages, as used in data science and machine learning. Sophisticated inference algorithms are often explained in terms of composition of smaller parts. However, neither their theoretical justification nor their implementation reflects this modularity. We show how to conceptualise and analyse such inference algorithms as manipulating intermediate representations of probabilistic programs using higher-order functions and inductive types, and their denotational semantics. Semantic accounts of continuous distributions use measurable spaces. However, our use of higher-order functions presents a substantial technical difficulty: it is impossible to define a measurable space structure over the collection of measurable functions between arbitrary measurable spaces that is compatible with standard operations on those functions, such as function application. We overcome this difficulty using quasi-Borel spaces, a recently proposed mathematical structure that supports both function spaces and continuous distributions. We define a class of semantic structures for representing probabilistic programs, and semantic validity criteria for transformations of these representations in terms of distribution preservation. We develop a collection of building blocks for composing representations. We use these building blocks to validate common inference algorithms such as Sequential Monte Carlo and Markov Chain Monte Carlo. To emphasize the connection between the semantic manipulation and its traditional measure theoretic origins, we use Kock's synthetic measure theory. We demonstrate its usefulness by proving a quasi-Borel counterpart to the Metropolis-Hastings-Green theorem.

Selecting the best code solution from multiple generated ones is an essential task in code generation, which can be achieved by using some reliable validators (e.g., developer-written test cases) for assistance. Since reliable test cases are not always available and can be expensive to build in practice, researchers propose to automatically generate test cases to assess code solutions. However, when both code solutions and test cases are plausible and not reliable, selecting the best solution becomes challenging. Although some heuristic strategies have been proposed to tackle this problem, they lack a strong theoretical guarantee and it is still an open question whether an optimal selection strategy exists. Our work contributes in two ways. First, we show that within a Bayesian framework, the optimal selection strategy can be defined based on the posterior probability of the observed passing states between solutions and tests. The problem of identifying the best solution is then framed as an integer programming problem. Second, we propose an efficient approach for approximating this optimal (yet uncomputable) strategy, where the approximation error is bounded by the correctness of prior knowledge. We then incorporate effective prior knowledge to tailor code generation tasks. Both theoretical and empirical studies confirm that existing heuristics are limited in selecting the best solutions with plausible test cases. Our proposed approximated optimal strategy B4 significantly surpasses existing heuristics in selecting code solutions generated by large language models (LLMs) with LLM-generated tests, achieving a relative performance improvement by up to 50% over the strongest heuristic and 246% over the random selection in the most challenging scenarios. Our code is publicly available at https://github.com/ZJU-CTAG/B4.

Personalized treatment effect estimates are often of interest in high-stakes applications -- thus, before deploying a model estimating such effects in practice, one needs to be sure that the best candidate from the ever-growing machine learning toolbox for this task was chosen. Unfortunately, due to the absence of counterfactual information in practice, it is usually not possible to rely on standard validation metrics for doing so, leading to a well-known model selection dilemma in the treatment effect estimation literature. While some solutions have recently been investigated, systematic understanding of the strengths and weaknesses of different model selection criteria is still lacking. In this paper, instead of attempting to declare a global `winner', we therefore empirically investigate success- and failure modes of different selection criteria. We highlight that there is a complex interplay between selection strategies, candidate estimators and the data used for comparing them, and provide interesting insights into the relative (dis)advantages of different criteria alongside desiderata for the design of further illuminating empirical studies in this context.

A great deal of effort has been devoted to reducing the risk of spurious scientific discoveries, from the use of sophisticated validation techniques, to deep statistical methods for controlling the false discovery rate in multiple hypothesis testing. However, there is a fundamental disconnect between the theoretical results and the practice of data analysis: the theory of statistical inference assumes a fixed collection of hypotheses to be tested, or learning algorithms to be applied, selected non-adaptively before the data are gathered, whereas in practice data is shared and reused with hypotheses and new analyses being generated on the basis of data exploration and the outcomes of previous analyses. In this work we initiate a principled study of how to guarantee the validity of statistical inference in adaptive data analysis. As an instance of this problem, we propose and investigate the question of estimating the expectations of m adaptively chosen functions on an unknown distribution given n random samples. We show that, surprisingly, there is a way to estimate an exponential in n number of expectations accurately even if the functions are chosen adaptively. This gives an exponential improvement over standard empirical estimators that are limited to a linear number of estimates. Our result follows from a general technique that counter-intuitively involves actively perturbing and coordinating the estimates, using techniques developed for privacy preservation. We give additional applications of this technique to our question.

This paper presents our winning submission to the AI Mathematical Olympiad - Progress Prize 2 (AIMO-2) competition. Our recipe for building state-of-the-art mathematical reasoning models relies on three key pillars. First, we create a large-scale dataset comprising 540K unique high-quality math problems, including olympiad-level problems, and their 3.2M long-reasoning solutions. Second, we develop a novel method to integrate code execution with long reasoning models through iterative training, generation, and quality filtering, resulting in 1.7M high-quality Tool-Integrated Reasoning solutions. Third, we create a pipeline to train models to select the most promising solution from many candidates. We show that such generative solution selection (GenSelect) can significantly improve upon majority voting baseline. Combining these ideas, we train a series of models that achieve state-of-the-art results on mathematical reasoning benchmarks. To facilitate further research, we release our code, models, and the complete OpenMathReasoning dataset under a commercially permissive license.

We consider multi-draft speculative sampling, where the proposal sequences are sampled independently from different draft models. At each step, a token-level draft selection scheme takes a list of valid tokens as input and produces an output token whose distribution matches that of the target model. Previous works have demonstrated that the optimal scheme (which maximizes the probability of accepting one of the input tokens) can be cast as a solution to a linear program. In this work we show that the optimal scheme can be decomposed into a two-step solution: in the first step an importance sampling (IS) type scheme is used to select one intermediate token; in the second step (single-draft) speculative sampling is applied to generate the output token. For the case of two identical draft models we further 1) establish a necessary and sufficient condition on the distributions of the target and draft models for the acceptance probability to equal one and 2) provide an explicit expression for the optimal acceptance probability. Our theoretical analysis also motives a new class of token-level selection scheme based on weighted importance sampling. Our experimental results demonstrate consistent improvements in the achievable block efficiency and token rates over baseline schemes in a number of scenarios.

Most positive and unlabeled data is subject to selection biases. The labeled examples can, for example, be selected from the positive set because they are easier to obtain or more obviously positive. This paper investigates how learning can be ena BHbled in this setting. We propose and theoretically analyze an empirical-risk-based method for incorporating the labeling mechanism. Additionally, we investigate under which assumptions learning is possible when the labeling mechanism is not fully understood and propose a practical method to enable this. Our empirical analysis supports the theoretical results and shows that taking into account the possibility of a selection bias, even when the labeling mechanism is unknown, improves the trained classifiers.

One of the most widely used methods to evaluate LLMs are Multiple Choice Question (MCQ) tests. MCQ benchmarks enable the testing of LLM knowledge on almost any topic at scale as the results can be processed automatically. To help the LLM answer, a few examples called few shots can be included in the prompt. Moreover, the LLM can be asked to answer the question directly with the selected option or to first provide the reasoning and then the selected answer, which is known as chain of thought. In addition to checking whether the selected answer is correct, the evaluation can look at the LLM-estimated probability of its response as an indication of the confidence of the LLM in the response. In this paper, we study how the LLM confidence in its answer depends on whether the model has been asked to answer directly or to provide the reasoning before answering. The results of the evaluation of questions on a wide range of topics in seven different models show that LLMs are more confident in their answers when they provide reasoning before the answer. This occurs regardless of whether the selected answer is correct. Our hypothesis is that this behavior is due to the reasoning that modifies the probability of the selected answer, as the LLM predicts the answer based on the input question and the reasoning that supports the selection made. Therefore, LLM estimated probabilities seem to have intrinsic limitations that should be understood in order to use them in evaluation procedures. Interestingly, the same behavior has been observed in humans, for whom explaining an answer increases confidence in its correctness.

The optimal training configurations of large language models (LLMs) with respect to model sizes and compute budgets have been extensively studied. But how to optimally configure LLMs during inference has not been explored in sufficient depth. We study compute-optimal inference: designing models and inference strategies that optimally trade off additional inference-time compute for improved performance. As a first step towards understanding and designing compute-optimal inference methods, we assessed the effectiveness and computational efficiency of multiple inference strategies such as Greedy Search, Majority Voting, Best-of-N, Weighted Voting, and their variants on two different Tree Search algorithms, involving different model sizes and computational budgets. We found that a smaller language model with a novel tree search algorithm typically achieves a Pareto-optimal trade-off. These results highlight the potential benefits of deploying smaller models equipped with more sophisticated decoding algorithms in budget-constrained scenarios, e.g., on end-devices, to enhance problem-solving accuracy. For instance, we show that the Llemma-7B model can achieve competitive accuracy to a Llemma-34B model on MATH500 while using 2times less FLOPs. Our findings could potentially apply to any generation task with a well-defined measure of success.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

How can we perform efficient inference and learning in directed probabilistic models, in the presence of continuous latent variables with intractable posterior distributions, and large datasets? We introduce a stochastic variational inference and learning algorithm that scales to large datasets and, under some mild differentiability conditions, even works in the intractable case. Our contributions are two-fold. First, we show that a reparameterization of the variational lower bound yields a lower bound estimator that can be straightforwardly optimized using standard stochastic gradient methods. Second, we show that for i.i.d. datasets with continuous latent variables per datapoint, posterior inference can be made especially efficient by fitting an approximate inference model (also called a recognition model) to the intractable posterior using the proposed lower bound estimator. Theoretical advantages are reflected in experimental results.

Given a sample of size N, it is often useful to select a subsample of smaller size n<N to be used for statistical estimation or learning. Such a data selection step is useful to reduce the requirements of data labeling and the computational complexity of learning. We assume to be given N unlabeled samples {{boldsymbol x}_i}_{ile N}, and to be given access to a `surrogate model' that can predict labels y_i better than random guessing. Our goal is to select a subset of the samples, to be denoted by {{boldsymbol x}_i}_{iin G}, of size |G|=n<N. We then acquire labels for this set and we use them to train a model via regularized empirical risk minimization. By using a mixture of numerical experiments on real and synthetic data, and mathematical derivations under low- and high- dimensional asymptotics, we show that: (i)~Data selection can be very effective, in particular beating training on the full sample in some cases; (ii)~Certain popular choices in data selection methods (e.g. unbiased reweighted subsampling, or influence function-based subsampling) can be substantially suboptimal.

While Bayesian inference provides a principled framework for reasoning under uncertainty, its widespread adoption is limited by the intractability of exact posterior computation, necessitating the use of approximate inference. However, existing methods are often computationally expensive, or demand costly retraining when priors change, limiting their utility, particularly in sequential inference problems such as real-time sensor fusion. To address these challenges, we introduce the Distribution Transformer -- a novel architecture that can learn arbitrary distribution-to-distribution mappings. Our method can be trained to map a prior to the corresponding posterior, conditioned on some dataset -- thus performing approximate Bayesian inference. Our novel architecture represents a prior distribution as a (universally-approximating) Gaussian Mixture Model (GMM), and transforms it into a GMM representation of the posterior. The components of the GMM attend to each other via self-attention, and to the datapoints via cross-attention. We demonstrate that Distribution Transformers both maintain flexibility to vary the prior, and significantly reduces computation times-from minutes to milliseconds-while achieving log-likelihood performance on par with or superior to existing approximate inference methods across tasks such as sequential inference, quantum system parameter inference, and Gaussian Process predictive posterior inference with hyperpriors.

Constructing prediction sets with coverage guarantees for unobserved outcomes is a core problem in modern statistics. Methods for predictive inference have been developed for a wide range of settings, but usually only consider test data points one at a time. Here we study the problem of distribution-free predictive inference for a batch of multiple test points, aiming to construct prediction sets for functions -- such as the mean or median -- of any number of unobserved test datapoints. This setting includes constructing simultaneous prediction sets with a high probability of coverage, and selecting datapoints satisfying a specified condition while controlling the number of false claims. For the general task of predictive inference on a function of a batch of test points, we introduce a methodology called batch predictive inference (batch PI), and provide a distribution-free coverage guarantee under exchangeability of the calibration and test data. Batch PI requires the quantiles of a rank ordering function defined on certain subsets of ranks. While computing these quantiles is NP-hard in general, we show that it can be done efficiently in many cases of interest, most notably for batch score functions with a compositional structure -- which includes examples of interest such as the mean -- via a dynamic programming algorithm that we develop. Batch PI has advantages over naive approaches (such as partitioning the calibration data or directly extending conformal prediction) in many settings, as it can deliver informative prediction sets even using small calibration sample sizes. We illustrate that our procedures provide informative inference across the use cases mentioned above, through experiments on both simulated data and a drug-target interaction dataset.

Moment restrictions and their conditional counterparts emerge in many areas of machine learning and statistics ranging from causal inference to reinforcement learning. Estimators for these tasks, generally called methods of moments, include the prominent generalized method of moments (GMM) which has recently gained attention in causal inference. GMM is a special case of the broader family of empirical likelihood estimators which are based on approximating a population distribution by means of minimizing a varphi-divergence to an empirical distribution. However, the use of varphi-divergences effectively limits the candidate distributions to reweightings of the data samples. We lift this long-standing limitation and provide a method of moments that goes beyond data reweighting. This is achieved by defining an empirical likelihood estimator based on maximum mean discrepancy which we term the kernel method of moments (KMM). We provide a variant of our estimator for conditional moment restrictions and show that it is asymptotically first-order optimal for such problems. Finally, we show that our method achieves competitive performance on several conditional moment restriction tasks.

Recent research has generated hope that inference scaling could allow weaker language models to match or exceed the accuracy of stronger models, such as by repeatedly sampling solutions to a coding problem until it passes unit tests. The central thesis of this paper is that there is no free lunch for inference scaling: indefinite accuracy improvement through resampling can only be realized if the "verifier" (in this case, a set of unit tests) is perfect. When the verifier is imperfect, as it almost always is in domains such as reasoning or coding (for example, unit tests have imperfect coverage), there is a nonzero probability of false positives: incorrect solutions that pass the verifier. Resampling cannot decrease this probability, so it imposes an upper bound to the accuracy of resampling-based inference scaling even with an infinite compute budget. We find that there is a very strong correlation between the model's single-sample accuracy (i.e. accuracy without unit tests) and its false positive rate on coding benchmarks HumanEval and MBPP, whose unit tests have limited coverage. Therefore, no amount of inference scaling of weaker models can enable them to match the single-sample accuracy of a sufficiently strong model (Fig. 1a). When we consider that false positives have a negative utility compared to abstaining from producing a solution, it bends the inference scaling curve further downward. Empirically, we find that the optimal number of samples can be less than 10 under realistic assumptions (Fig. 1b). Finally, we show that beyond accuracy, false positives may have other undesirable qualities, such as poor adherence to coding style conventions.

Neural Posterior Estimation methods for simulation-based inference can be ill-suited for dealing with posterior distributions obtained by conditioning on multiple observations, as they tend to require a large number of simulator calls to learn accurate approximations. In contrast, Neural Likelihood Estimation methods can handle multiple observations at inference time after learning from individual observations, but they rely on standard inference methods, such as MCMC or variational inference, which come with certain performance drawbacks. We introduce a new method based on conditional score modeling that enjoys the benefits of both approaches. We model the scores of the (diffused) posterior distributions induced by individual observations, and introduce a way of combining the learned scores to approximately sample from the target posterior distribution. Our approach is sample-efficient, can naturally aggregate multiple observations at inference time, and avoids the drawbacks of standard inference methods.

Recent work has shown that models trained to the same objective, and which achieve similar measures of accuracy on consistent test data, may nonetheless behave very differently on individual predictions. This inconsistency is undesirable in high-stakes contexts, such as medical diagnosis and finance. We show that this inconsistent behavior extends beyond predictions to feature attributions, which may likewise have negative implications for the intelligibility of a model, and one's ability to find recourse for subjects. We then introduce selective ensembles to mitigate such inconsistencies by applying hypothesis testing to the predictions of a set of models trained using randomly-selected starting conditions; importantly, selective ensembles can abstain in cases where a consistent outcome cannot be achieved up to a specified confidence level. We prove that that prediction disagreement between selective ensembles is bounded, and empirically demonstrate that selective ensembles achieve consistent predictions and feature attributions while maintaining low abstention rates. On several benchmark datasets, selective ensembles reach zero inconsistently predicted points, with abstention rates as low 1.5%.

We present a novel approach for generating minority samples that live on low-density regions of a data manifold. Our framework is built upon diffusion models, leveraging the principle of guided sampling that incorporates an arbitrary energy-based guidance during inference time. The key defining feature of our sampler lies in its self-contained nature, \ie, implementable solely with a pretrained model. This distinguishes our sampler from existing techniques that require expensive additional components (like external classifiers) for minority generation. Specifically, we first estimate the likelihood of features within an intermediate latent sample by evaluating a reconstruction loss w.r.t. its posterior mean. The generation then proceeds with the minimization of the estimated likelihood, thereby encouraging the emergence of minority features in the latent samples of subsequent timesteps. To further improve the performance of our sampler, we provide several time-scheduling techniques that properly manage the influence of guidance over inference steps. Experiments on benchmark real datasets demonstrate that our approach can greatly improve the capability of creating realistic low-likelihood minority instances over the existing techniques without the reliance on costly additional elements. Code is available at https://github.com/soobin-um/sg-minority.

Best-of-N selection is a key technique for improving the reasoning performance of Large Language Models (LLMs) through increased test-time computation. Current state-of-the-art methods often employ computationally intensive reward models for response evaluation and selection. Reward-free alternatives, like self-consistency and universal self-consistency, are limited in their ability to handle open-ended generation tasks or scale effectively. To address these limitations, we propose self-certainty, a novel and efficient metric that leverages the inherent probability distribution of LLM outputs to estimate response quality without requiring external reward models. We hypothesize that higher distributional self-certainty, aggregated across multiple samples, correlates with improved response accuracy, as it reflects greater confidence in the generated output. Through extensive experiments on various reasoning tasks, we demonstrate that self-certainty (1) scales effectively with increasing sample size N, akin to reward models but without the computational overhead; (2) complements chain-of-thought, improving reasoning performance beyond greedy decoding; and (3) generalizes to open-ended tasks where traditional self-consistency methods fall short. Our findings establish self-certainty as a practical and efficient way for improving LLM reasoning capabilities. The code is available at https://github.com/backprop07/Self-Certainty

Inference-time optimization scales computation to derive deliberate reasoning steps for effective performance. While previous search-based strategies address the short-sightedness of auto-regressive generation, the vast search space leads to excessive exploration and insufficient exploitation. To strike an efficient balance to derive the optimal step, we frame the decoding strategy as foresight sampling, leveraging simulated future steps to obtain globally optimal step estimation. Built on it, we propose a novel decoding strategy, named phi-Decoding. To provide a precise and expressive estimation of step value, phi-Decoding approximates two distributions via foresight and clustering. Sampling from the joint distribution, the optimal steps can be selected for exploitation. To support adaptive computation allocation, we propose in-width and in-depth pruning strategies, featuring a light-weight solution to achieve inference efficiency. Extensive experiments across seven benchmarks show phi-Decoding outperforms strong baselines in both performance and efficiency. Additional analysis demonstrates its generalization across various LLMs and scalability across a wide range of computing budgets. The code will be released at https://github.com/xufangzhi/phi-Decoding, and the open-source PyPI package is coming soon.

With the advancement of large language models (LLMs), solving complex reasoning tasks has gained increasing attention. Inference-time computation methods (e.g., Best-of-N, beam search, et al.) are particularly valuable as they can enhance reasoning performance without modifying model parameters or requiring additional training. However, these techniques come with implementation challenges, and most existing methods remain at the proof-of-concept stage with limited practical adoption due to their computational complexity and varying effectiveness across different tasks. In this paper, we investigate and benchmark diverse inference-time computation strategies across reasoning tasks of varying complexity. Since most current methods rely on a proposer-verifier pipeline that first generates candidate solutions (e.g., reasoning solutions) and then selects the best one based on reward signals (e.g., RLHF rewards, process rewards), our research focuses on optimizing both candidate solution generation (e.g., instructing prompts, hyperparameters such as temperature and top-p) and reward mechanisms (e.g., self-evaluation, reward types). Through extensive experiments (more than 20,000 A100-80G GPU hours with over 1,000 experiments) across a variety of models (e.g., Llama, Qwen, and Mistral families) of various sizes, our ablation studies reveal that previously overlooked strategies can significantly enhance performance (e.g., tuning temperature can improve reasoning task performance by up to 5%). Furthermore, we establish a standardized benchmark for inference-time computation by systematically evaluating six representative methods across eight reasoning tasks. These findings provide a stronger foundation for future research. The code is available at https://github.com/usail-hkust/benchmark_inference_time_computation_LLM

We endow Large Language Models (LLMs) with fine-grained self-evaluation to refine multi-step reasoning inference. We propose an effective prompting approach that integrates self-evaluation guidance through stochastic beam search. Our approach explores the reasoning search space using a well-calibrated automatic criterion. This enables an efficient search to produce higher-quality final predictions. With the self-evaluation guided stochastic beam search, we also balance the quality-diversity trade-off in the generation of reasoning chains. This allows our approach to adapt well with majority voting and surpass the corresponding Codex-backboned baselines by 6.34%, 9.56%, and 5.46% on the GSM8K, AQuA, and StrategyQA benchmarks, respectively, in few-shot accuracy. Analysis of our decompositional reasoning finds it pinpoints logic failures and leads to higher consistency and robustness. Our code is publicly available at https://github.com/YuxiXie/SelfEval-Guided-Decoding.

Stepwise inference protocols, such as scratchpads and chain-of-thought, help language models solve complex problems by decomposing them into a sequence of simpler subproblems. Despite the significant gain in performance achieved via these protocols, the underlying mechanisms of stepwise inference have remained elusive. To address this, we propose to study autoregressive Transformer models on a synthetic task that embodies the multi-step nature of problems where stepwise inference is generally most useful. Specifically, we define a graph navigation problem wherein a model is tasked with traversing a path from a start to a goal node on the graph. Despite is simplicity, we find we can empirically reproduce and analyze several phenomena observed at scale: (i) the stepwise inference reasoning gap, the cause of which we find in the structure of the training data; (ii) a diversity-accuracy tradeoff in model generations as sampling temperature varies; (iii) a simplicity bias in the model's output; and (iv) compositional generalization and a primacy bias with in-context exemplars. Overall, our work introduces a grounded, synthetic framework for studying stepwise inference and offers mechanistic hypotheses that can lay the foundation for a deeper understanding of this phenomenon.

The surprisingly likely criterion in the seminal work of Prelec (the Bayesian Truth Serum) guarantees truthfulness in a game-theoretic multi-agent setting, by rewarding rational agents to maximise the expected information gain with their answers w.r.t. their probabilistic beliefs. We investigate the relevance of a similar criterion for responses of LLMs. We hypothesize that if the surprisingly likely criterion works in LLMs, under certain conditions, the responses that maximize the reward under this criterion should be more accurate than the responses that only maximize the posterior probability. Using benchmarks including the TruthfulQA benchmark and using openly available LLMs: GPT-2 and LLaMA-2, we show that the method indeed improves the accuracy significantly (for example, upto 24 percentage points aggregate improvement on TruthfulQA and upto 70 percentage points improvement on individual categories of questions).

We consider the problem of performing Bayesian inference in probabilistic models where observations are accompanied by uncertainty, referred to as "uncertain evidence." We explore how to interpret uncertain evidence, and by extension the importance of proper interpretation as it pertains to inference about latent variables. We consider a recently-proposed method "distributional evidence" as well as revisit two older methods: Jeffrey's rule and virtual evidence. We devise guidelines on how to account for uncertain evidence and we provide new insights, particularly regarding consistency. To showcase the impact of different interpretations of the same uncertain evidence, we carry out experiments in which one interpretation is defined as "correct." We then compare inference results from each different interpretation illustrating the importance of careful consideration of uncertain evidence.

In this paper, we present a novel approach to accelerate the Bayesian inference process, focusing specifically on the nested sampling algorithms. Bayesian inference plays a crucial role in cosmological parameter estimation, providing a robust framework for extracting theoretical insights from observational data. However, its computational demands can be substantial, primarily due to the need for numerous likelihood function evaluations. Our proposed method utilizes the power of deep learning, employing feedforward neural networks to approximate the likelihood function dynamically during the Bayesian inference process. Unlike traditional approaches, our method trains neural networks on-the-fly using the current set of live points as training data, without the need for pre-training. This flexibility enables adaptation to various theoretical models and datasets. We perform simple hyperparameter optimization using genetic algorithms to suggest initial neural network architectures for learning each likelihood function. Once sufficient accuracy is achieved, the neural network replaces the original likelihood function. The implementation integrates with nested sampling algorithms and has been thoroughly evaluated using both simple cosmological dark energy models and diverse observational datasets. Additionally, we explore the potential of genetic algorithms for generating initial live points within nested sampling inference, opening up new avenues for enhancing the efficiency and effectiveness of Bayesian inference methods.

We study the task of prompting large-scale language models to perform multi-step reasoning. Existing work shows that when prompted with a chain of thoughts (CoT), sequences of short sentences describing intermediate reasoning steps towards a final answer, large language models can generate new reasoning chains and predict answers for new inputs. A central question is which reasoning examples make the most effective prompts. In this work, we propose complexity-based prompting, a simple and effective example selection scheme for multi-step reasoning. We show that prompts with higher reasoning complexity, i.e., chains with more reasoning steps, achieve substantially better performance on multi-step reasoning tasks over strong baselines. We further extend our complexity-based criteria from prompting (selecting inputs) to decoding (selecting outputs), where we sample multiple reasoning chains from the model, then choose the majority of generated answers from complex reasoning chains (over simple chains). When used to prompt GPT-3 and Codex, our approach substantially improves multi-step reasoning accuracy and achieves new state-of-the-art (SOTA) performance on three math benchmarks (GSM8K, MultiArith, and MathQA) and two BigBenchHard tasks (Date Understanding and Penguins), with an average +5.3 and up to +18 accuracy improvements. Compared with existing example selection schemes like manual tuning or retrieval-based selection, selection based on reasoning complexity is intuitive, easy to implement, and annotation-efficient. Further results demonstrate the robustness of performance gains from complex prompts under format perturbation and distribution shift.

Recent studies have indicated that effectively utilizing inference-time compute is crucial for attaining better performance from large language models (LLMs). In this work, we propose a novel inference-aware fine-tuning paradigm, in which the model is fine-tuned in a manner that directly optimizes the performance of the inference-time strategy. We study this paradigm using the simple yet effective Best-of-N (BoN) inference strategy, in which a verifier selects the best out of a set of LLM-generated responses. We devise the first imitation learning and reinforcement learning~(RL) methods for BoN-aware fine-tuning, overcoming the challenging, non-differentiable argmax operator within BoN. We empirically demonstrate that our BoN-aware models implicitly learn a meta-strategy that interleaves best responses with more diverse responses that might be better suited to a test-time input -- a process reminiscent of the exploration-exploitation trade-off in RL. Our experiments demonstrate the effectiveness of BoN-aware fine-tuning in terms of improved performance and inference-time compute. In particular, we show that our methods improve the Bo32 performance of Gemma 2B on Hendrycks MATH from 26.8% to 30.8%, and pass@32 from 60.0% to 67.0%, as well as the pass@16 on HumanEval from 61.6% to 67.1%.

For observational studies, we study the sensitivity of causal inference when treatment assignments may depend on unobserved confounders. We develop a loss minimization approach for estimating bounds on the conditional average treatment effect (CATE) when unobserved confounders have a bounded effect on the odds ratio of treatment selection. Our approach is scalable and allows flexible use of model classes in estimation, including nonparametric and black-box machine learning methods. Based on these bounds for the CATE, we propose a sensitivity analysis for the average treatment effect (ATE). Our semi-parametric estimator extends/bounds the augmented inverse propensity weighted (AIPW) estimator for the ATE under bounded unobserved confounding. By constructing a Neyman orthogonal score, our estimator of the bound for the ATE is a regular root-n estimator so long as the nuisance parameters are estimated at the o_p(n^{-1/4}) rate. We complement our methodology with optimality results showing that our proposed bounds are tight in certain cases. We demonstrate our method on simulated and real data examples, and show accurate coverage of our confidence intervals in practical finite sample regimes with rich covariate information.

In domains with high stakes such as law, recruitment, and healthcare, learning models frequently rely on sensitive user data for inference, necessitating the complete set of features. This not only poses significant privacy risks for individuals but also demands substantial human effort from organizations to verify information accuracy. This paper asks whether it is necessary to use all input features for accurate predictions at inference time. The paper demonstrates that, in a personalized setting, individuals may only need to disclose a small subset of their features without compromising decision-making accuracy. The paper also provides an efficient sequential algorithm to determine the appropriate attributes for each individual to provide. Evaluations across various learning tasks show that individuals can potentially report as little as 10\% of their information while maintaining the same accuracy level as a model that employs the full set of user information.

Recent advances demonstrate that increasing inference-time computation can significantly boost the reasoning capabilities of large language models (LLMs). Although repeated sampling (i.e., generating multiple candidate outputs) is a highly effective strategy, it does not leverage external feedback signals for refinement, which are often available in tasks like coding. In this work, we propose Adaptive Branching Monte Carlo Tree Search (AB-MCTS), a novel inference-time framework that generalizes repeated sampling with principled multi-turn exploration and exploitation. At each node in the search tree, AB-MCTS dynamically decides whether to "go wider" by expanding new candidate responses or "go deeper" by revisiting existing ones based on external feedback signals. We evaluate our method on complex coding and engineering tasks using frontier models. Empirical results show that AB-MCTS consistently outperforms both repeated sampling and standard MCTS, underscoring the importance of combining the response diversity of LLMs with multi-turn solution refinement for effective inference-time scaling.

Cascades are a classical strategy to enable inference cost to vary adaptively across samples, wherein a sequence of classifiers are invoked in turn. A deferral rule determines whether to invoke the next classifier in the sequence, or to terminate prediction. One simple deferral rule employs the confidence of the current classifier, e.g., based on the maximum predicted softmax probability. Despite being oblivious to the structure of the cascade -- e.g., not modelling the errors of downstream models -- such confidence-based deferral often works remarkably well in practice. In this paper, we seek to better understand the conditions under which confidence-based deferral may fail, and when alternate deferral strategies can perform better. We first present a theoretical characterisation of the optimal deferral rule, which precisely characterises settings under which confidence-based deferral may suffer. We then study post-hoc deferral mechanisms, and demonstrate they can significantly improve upon confidence-based deferral in settings where (i) downstream models are specialists that only work well on a subset of inputs, (ii) samples are subject to label noise, and (iii) there is distribution shift between the train and test set.

Approximate inference in Gaussian process (GP) models with non-conjugate likelihoods gets entangled with the learning of the model hyperparameters. We improve hyperparameter learning in GP models and focus on the interplay between variational inference (VI) and the learning target. While VI's lower bound to the marginal likelihood is a suitable objective for inferring the approximate posterior, we show that a direct approximation of the marginal likelihood as in Expectation Propagation (EP) is a better learning objective for hyperparameter optimization. We design a hybrid training procedure to bring the best of both worlds: it leverages conjugate-computation VI for inference and uses an EP-like marginal likelihood approximation for hyperparameter learning. We compare VI, EP, Laplace approximation, and our proposed training procedure and empirically demonstrate the effectiveness of our proposal across a wide range of data sets.

We introduce a novel framework for analyzing sorting algorithms in pairwise ranking prompting (PRP), re-centering the cost model around LLM inferences rather than traditional pairwise comparisons. While classical metrics based on comparison counts have traditionally been used to gauge efficiency, our analysis reveals that expensive LLM inferences overturn these predictions; accordingly, our framework encourages strategies such as batching and caching to mitigate inference costs. We show that algorithms optimal in the classical setting can lose efficiency when LLM inferences dominate the cost under certain optimizations.

The goal of lifelong learning is to continuously learn from non-stationary distributions, where the non-stationarity is typically imposed by a sequence of distinct tasks. Prior works have mostly considered idealistic settings, where the identity of tasks is known at least at training. In this paper we focus on a fundamentally harder, so-called task-agnostic setting where the task identities are not known and the learning machine needs to infer them from the observations. Our algorithm, which we call TAME (Task-Agnostic continual learning using Multiple Experts), automatically detects the shift in data distributions and switches between task expert networks in an online manner. At training, the strategy for switching between tasks hinges on an extremely simple observation that for each new coming task there occurs a statistically-significant deviation in the value of the loss function that marks the onset of this new task. At inference, the switching between experts is governed by the selector network that forwards the test sample to its relevant expert network. The selector network is trained on a small subset of data drawn uniformly at random. We control the growth of the task expert networks as well as selector network by employing online pruning. Our experimental results show the efficacy of our approach on benchmark continual learning data sets, outperforming the previous task-agnostic methods and even the techniques that admit task identities at both training and testing, while at the same time using a comparable model size.

We revisit Zadeh's notion of "evidence of the second kind" and show that it provides the foundation for a general theory of epistemic random fuzzy sets, which generalizes both the Dempster-Shafer theory of belief functions and possibility theory. In this perspective, Dempster-Shafer theory deals with belief functions generated by random sets, while possibility theory deals with belief functions induced by fuzzy sets. The more general theory allows us to represent and combine evidence that is both uncertain and fuzzy. We demonstrate the application of this formalism to statistical inference, and show that it makes it possible to reconcile the possibilistic interpretation of likelihood with Bayesian inference.

Artificial intelligence commonly refers to the science and engineering of artificial systems that can carry out tasks generally associated with requiring aspects of human intelligence, such as playing games, translating languages, and driving cars. In recent years, there have been exciting advances in learning-based, data-driven approaches towards AI, and machine learning and deep learning have enabled computer systems to perceive the world in unprecedented ways. Reinforcement learning has enabled breakthroughs in complex games such as Go and challenging robotics tasks such as quadrupedal locomotion. A key aspect of intelligence is to not only make predictions, but reason about the uncertainty in these predictions, and to consider this uncertainty when making decisions. This is what this manuscript on "Probabilistic Artificial Intelligence" is about. The first part covers probabilistic approaches to machine learning. We discuss the differentiation between "epistemic" uncertainty due to lack of data and "aleatoric" uncertainty, which is irreducible and stems, e.g., from noisy observations and outcomes. We discuss concrete approaches towards probabilistic inference and modern approaches to efficient approximate inference. The second part of the manuscript is about taking uncertainty into account in sequential decision tasks. We consider active learning and Bayesian optimization -- approaches that collect data by proposing experiments that are informative for reducing the epistemic uncertainty. We then consider reinforcement learning and modern deep RL approaches that use neural network function approximation. We close by discussing modern approaches in model-based RL, which harness epistemic and aleatoric uncertainty to guide exploration, while also reasoning about safety.

Best-of-N (BoN) is a popular and effective algorithm for aligning language models to human preferences. The algorithm works as follows: at inference time, N samples are drawn from the language model, and the sample with the highest reward, as judged by a reward model, is returned as the output. Despite its effectiveness, BoN is computationally expensive; it reduces sampling throughput by a factor of N. To make BoN more efficient at inference time, one strategy is to fine-tune the language model to mimic what BoN does during inference. To achieve this, we derive the distribution induced by the BoN algorithm. We then propose to fine-tune the language model to minimize backward KL divergence to the BoN distribution. Our approach is analogous to mean-field variational inference and, thus, we term it variational BoN (vBoN). To the extent this fine-tuning is successful and we end up with a good approximation, we have reduced the inference cost by a factor of N. Our experiments on a controlled generation task suggest that while variational BoN is not as effective as BoN in aligning language models, it is close to BoN performance as vBoN appears more often on the Pareto frontier of reward and KL divergence compared to models trained with KL-constrained RL objective.

The ever-growing ecosystem of LLMs has posed a challenge in selecting the most appropriate pre-trained model to fine-tune amidst a sea of options. Given constrained resources, fine-tuning all models and making selections afterward is unrealistic. In this work, we formulate this resource-constrained selection task into predicting fine-tuning performance and illustrate its natural connection with scaling laws. Unlike pre-training, We find that the fine-tuning scaling curve includes not just the well-known "power phase" but also the previously unobserved "pre-power phase". We also explain why existing scaling laws fail to capture this phase transition phenomenon both theoretically and empirically. To address this, we introduce the concept of "pre-learned data size" into our rectified scaling law, which overcomes theoretical limitations and fits experimental results much better. By leveraging our law, we propose a novel LLM selection algorithm that selects the near-optimal model with hundreds of times less resource consumption, while other methods may provide negatively correlated selection.

We study the problem of modeling a population of agents pursuing unknown goals subject to unknown computational constraints. In standard models of bounded rationality, sub-optimal decision-making is simulated by adding homoscedastic noise to optimal decisions rather than explicitly simulating constrained inference. In this work, we introduce a latent inference budget model (L-IBM) that models agents' computational constraints explicitly, via a latent variable (inferred jointly with a model of agents' goals) that controls the runtime of an iterative inference algorithm. L-IBMs make it possible to learn agent models using data from diverse populations of suboptimal actors. In three modeling tasks -- inferring navigation goals from routes, inferring communicative intents from human utterances, and predicting next moves in human chess games -- we show that L-IBMs match or outperform Boltzmann models of decision-making under uncertainty. Inferred inference budgets are themselves meaningful, efficient to compute, and correlated with measures of player skill, partner skill and task difficulty.

Humans have a powerful and mysterious capacity to reason. By working through a series of purely mental steps, we can make inferences we would not be capable of making directly -- despite the fact that we get no additional data from the world. Similarly, when large language models generate a series of intermediate steps (a chain of thought) before answering a question, they often produce better answers than they otherwise would. We investigate why and how chain-of-thought reasoning is useful in language models, testing the hypothesis that reasoning is effective when training data consists of local clusters of variables that influence each other strongly. These training conditions enable the chaining of accurate local inferences in order to estimate relationships between variables that were not seen together in training. We prove that there will exist a "reasoning gap", where reasoning through intermediate variables improves inference, for the simple case of an autoregressive density estimator trained on local samples from a chain-structured probabilistic model. We then test our hypothesis empirically in more complex models, training an autoregressive language model on samples from Bayes nets but only including a subset of variables in each sample. We test language models' ability to match conditional probabilities with and without intermediate reasoning steps, finding that intermediate steps are only helpful when the training data is locally structured with respect to dependencies between variables and that the combination of locally-structured observations and reasoning is much more data-efficient than training on all variables. Our results illustrate how the effectiveness of reasoning step by step is rooted in the local statistical structure of the training data.

Bayesian models of cognition have gained considerable traction in computational neuroscience and psychiatry. Their scopes are now expected to expand rapidly to artificial intelligence, providing general inference frameworks to support embodied, adaptable, and energy-efficient autonomous agents. A central theory in this domain is predictive coding, which posits that learning and behaviour are driven by hierarchical probabilistic inferences about the causes of sensory inputs. Biological realism constrains these networks to rely on simple local computations in the form of precision-weighted predictions and prediction errors. This can make this framework highly efficient, but its implementation comes with unique challenges on the software development side. Embedding such models in standard neural network libraries often becomes limiting, as these libraries' compilation and differentiation backends can force a conceptual separation between optimization algorithms and the systems being optimized. This critically departs from other biological principles such as self-monitoring, self-organisation, cellular growth and functional plasticity. In this paper, we introduce pyhgf: a Python package backed by JAX and Rust for creating, manipulating and sampling dynamic networks for predictive coding. We improve over other frameworks by enclosing the network components as transparent, modular and malleable variables in the message-passing steps. The resulting graphs can implement arbitrary computational complexities as beliefs propagation. But the transparency of core variables can also translate into inference processes that leverage self-organisation principles, and express structure learning, meta-learning or causal discovery as the consequence of network structural adaptation to surprising inputs. The code, tutorials and documentation are hosted at: https://github.com/ilabcode/pyhgf.

We explore an evolutionary search strategy for scaling inference time compute in Large Language Models. The proposed approach, Mind Evolution, uses a language model to generate, recombine and refine candidate responses. The proposed approach avoids the need to formalize the underlying inference problem whenever a solution evaluator is available. Controlling for inference cost, we find that Mind Evolution significantly outperforms other inference strategies such as Best-of-N and Sequential Revision in natural language planning tasks. In the TravelPlanner and Natural Plan benchmarks, Mind Evolution solves more than 98% of the problem instances using Gemini 1.5 Pro without the use of a formal solver.

Diffusion models are a class of probabilistic generative models that have been widely used as a prior for image processing tasks like text conditional generation and inpainting. We demonstrate that these models can be adapted to make predictions and provide uncertainty quantification for chaotic dynamical systems. In these applications, diffusion models can implicitly represent knowledge about outliers and extreme events; however, querying that knowledge through conditional sampling or measuring probabilities is surprisingly difficult. Existing methods for conditional sampling at inference time seek mainly to enforce the constraints, which is insufficient to match the statistics of the distribution or compute the probability of the chosen events. To achieve these ends, optimally one would use the conditional score function, but its computation is typically intractable. In this work, we develop a probabilistic approximation scheme for the conditional score function which provably converges to the true distribution as the noise level decreases. With this scheme we are able to sample conditionally on nonlinear userdefined events at inference time, and matches data statistics even when sampling from the tails of the distribution.

Model uncertainty and limited data are fundamental challenges to robust management of human intervention in a natural system. These challenges are acutely highlighted by concerns that many ecological systems may contain tipping points, such as Allee population sizes. Before a collapse, we do not know where the tipping points lie, if they exist at all. Hence, we know neither a complete model of the system dynamics nor do we have access to data in some large region of state-space where such a tipping point might exist. We illustrate how a Bayesian Non-Parametric (BNP) approach using a Gaussian Process (GP) prior provides a flexible representation of this inherent uncertainty. We embed GPs in a Stochastic Dynamic Programming (SDP) framework in order to make robust management predictions with both model uncertainty and limited data. We use simulations to evaluate this approach as compared with the standard approach of using model selection to choose from a set of candidate models. We find that model selection erroneously favors models without tipping points -- leading to harvest policies that guarantee extinction. The GPDP performs nearly as well as the true model and significantly outperforms standard approaches. We illustrate this using examples of simulated single-species dynamics, where the standard model selection approach should be most effective, and find that it still fails to account for uncertainty appropriately and leads to population crashes, while management based on the GPDP does not, since it does not underestimate the uncertainty outside of the observed data.

For a data-generating process for random variables that can be described with a linear structural equation model, we consider a situation in which (i) a set of covariates satisfying the back-door criterion cannot be observed or (ii) such a set can be observed, but standard statistical estimation methods cannot be applied to estimate causal effects because of multicollinearity/high-dimensional data problems. We propose a novel two-stage penalized regression approach, the penalized covariate-mediator selection operator (PCM Selector), to estimate the causal effects in such scenarios. Unlike existing penalized regression analyses, when a set of intermediate variables is available, PCM Selector provides a consistent or less biased estimator of the causal effect. In addition, PCM Selector provides a variable selection procedure for intermediate variables to obtain better estimation accuracy of the causal effects than does the back-door criterion.

This review paper is intended for the 2nd edition of the Handbook of Markov chain Monte Carlo. We provide an introduction to approximate inference techniques as Bayesian computation methods applied to deep learning models. We organize the chapter by presenting popular computational methods for Bayesian neural networks and deep generative models, explaining their unique challenges in posterior inference as well as the solutions.

Phylogenetic comparative methods may fail to produce meaningful results when either the underlying model is inappropriate or the data contain insufficient information to inform the inference. The ability to measure the statistical power of these methods has become crucial to ensure that data quantity keeps pace with growing model complexity. Through simulations, we show that commonly applied model choice methods based on information criteria can have remarkably high error rates; this can be a problem because methods to estimate the uncertainty or power are not widely known or applied. Furthermore, the power of comparative methods can depend significantly on the structure of the data. We describe a Monte Carlo based method which addresses both of these challenges, and show how this approach both quantifies and substantially reduces errors relative to information criteria. The method also produces meaningful confidence intervals for model parameters. We illustrate how the power to distinguish different models, such as varying levels of selection, varies both with number of taxa and structure of the phylogeny. We provide an open-source implementation in the pmc ("Phylogenetic Monte Carlo") package for the R programming language. We hope such power analysis becomes a routine part of model comparison in comparative methods.

Evolvability is an important feature that impacts the ability of evolutionary processes to find interesting novel solutions and to deal with changing conditions of the problem to solve. The estimation of evolvability is not straightforward and is generally too expensive to be directly used as selective pressure in the evolutionary process. Indirectly promoting evolvability as a side effect of other easier and faster to compute selection pressures would thus be advantageous. In an unbounded behavior space, it has already been shown that evolvable individuals naturally appear and tend to be selected as they are more likely to invade empty behavior niches. Evolvability is thus a natural byproduct of the search in this context. However, practical agents and environments often impose limits on the reach-able behavior space. How do these boundaries impact evolvability? In this context, can evolvability still be promoted without explicitly rewarding it? We show that Novelty Search implicitly creates a pressure for high evolvability even in bounded behavior spaces, and explore the reasons for such a behavior. More precisely we show that, throughout the search, the dynamic evaluation of novelty rewards individuals which are very mobile in the behavior space, which in turn promotes evolvability.

We study the problem of adaptively identifying patient subpopulations that benefit from a given treatment during a confirmatory clinical trial. This type of adaptive clinical trial has been thoroughly studied in biostatistics, but has been allowed only limited adaptivity so far. Here, we aim to relax classical restrictions on such designs and investigate how to incorporate ideas from the recent machine learning literature on adaptive and online experimentation to make trials more flexible and efficient. We find that the unique characteristics of the subpopulation selection problem -- most importantly that (i) one is usually interested in finding subpopulations with any treatment benefit (and not necessarily the single subgroup with largest effect) given a limited budget and that (ii) effectiveness only has to be demonstrated across the subpopulation on average -- give rise to interesting challenges and new desiderata when designing algorithmic solutions. Building on these findings, we propose AdaGGI and AdaGCPI, two meta-algorithms for subpopulation construction. We empirically investigate their performance across a range of simulation scenarios and derive insights into their (dis)advantages across different settings.

Large Language Models (LLMs) have demonstrated the ability to tackle increasingly complex tasks through advanced reasoning, long-form content generation, and tool use. Solving these tasks often involves long inference-time computations. In human problem solving, a common strategy to expedite work is collaboration: by dividing the problem into sub-tasks, exploring different strategies concurrently, etc. Recent research has shown that LLMs can also operate in parallel by implementing explicit cooperation frameworks, such as voting mechanisms or the explicit creation of independent sub-tasks that can be executed in parallel. However, each of these frameworks may not be suitable for all types of tasks, which can hinder their applicability. In this work, we propose a different design approach: we run LLM "workers" in parallel , allowing them to synchronize via a concurrently-updated attention cache and prompt these workers to decide how best to collaborate. Our approach allows the instances to come up with their own collaboration strategy for the problem at hand, all the while "seeing" each other's partial progress in the concurrent cache. We implement this approach via Hogwild! Inference: a parallel LLM inference engine where multiple instances of the same LLM run in parallel with the same attention cache, with "instant" access to each other's generated tokens. Hogwild! inference takes advantage of Rotary Position Embeddings (RoPE) to avoid recomputation while improving parallel hardware utilization. We find that modern reasoning-capable LLMs can perform inference with shared Key-Value cache out of the box, without additional fine-tuning.

Math word problem (MWP) solving requires generating a reasoning path based on a given problem description that often contains irrelevant conditions. Existing chain-of-thought (CoT) prompting methods elicited multi-step reasoning abilities of large language models (LLMs) to solve MWPs. However, they were seriously confused by the irrelevant conditions, resulting in low accuracy. In this paper, we propose a novel approach named I^3C that instructs LLMs to identify and ignore irrelevant conditions. It identifies a set of irrelevant condition candidates that have a weak semantic relevance with the question. Then it prompts LLMs to verify the irrelevant conditions. Lastly it instructs the LLMs with the verification on relevant and irrelevant conditions to avoid confusion and improve reasoning paths. Moreover, we propose to select (problem, reasoning paths) pairs as demonstrations to enhance I^3C with few-shot reasoning. We develop I^3C-Select that selects the most confusing problems based on the semantic relevance measurement. We conduct extensive experiments on eight MWP datasets. I^3C can be combined with any CoT prompting methods to improve the performance of solving MWPs. Notably, with GPT-3.5-Turbo and I^3C-Select, we achieve an accuracy of 96.0 and 94.1 on GSM-IC2-1K and GSM-ICM-1K, respectively, significantly outperforming the state-of-the-art few-shot prompting method Complex-CoT by +11.7 and +11.1. Our implementation is made publicly available at https://wzy6642.github.io/I3C.github.io/.

Recent years have seen considerable advancements in multi-step reasoning with Large Language Models (LLMs). The previous studies have elucidated the merits of integrating feedback or search mechanisms during model inference to improve the reasoning accuracy. The Process-Supervised Reward Model (PRM), typically furnishes LLMs with step-by-step feedback during the training phase, akin to Proximal Policy Optimization (PPO) or reject sampling. Our objective is to examine the efficacy of PRM in the inference phase to help discern the optimal solution paths for multi-step tasks such as mathematical reasoning and code generation. To this end, we propose a heuristic greedy search algorithm that employs the step-level feedback from PRM to optimize the reasoning pathways explored by LLMs. This tailored PRM demonstrated enhanced results compared to the Chain of Thought (CoT) on mathematical benchmarks like GSM8K and MATH. Additionally, to explore the versatility of our approach, we develop a novel method to automatically generate step-level reward dataset for coding tasks and observed similar improved performance in the code generation tasks. Thus highlighting the robust nature of our reward-model-based approach to inference for reasoning tasks.

Inference-time scaling has emerged as a powerful alternative to parameter scaling for improving language model performance on complex reasoning tasks. While existing methods have shown strong performance gains under fixed compute budgets, there has been little focus on optimally utilizing that budget during inference. In this work, we introduce A*-decoding, a search-based inference-time strategy that builds on the A* search algorithm to optimally utilize a fixed compute budget by prioritizing high-quality reasoning paths during generation. We frame language model decoding as a structured search in a state space of partial solutions, applying the A* transition model to identify promising continuations guided by an external process supervision signal. In our experiments, A*-decoding reaches the performance levels of strong inference scaling baselines like best-of-N and particle filtering while using up to 3x fewer tokens and 30% fewer PRM passes under equivalent compute budgets. On the MATH500 and AIME 2024 benchmarks, A*-decoding enables Llama-3.2-1B-Instruct to match the performance of the 70x larger Llama-3.1-70B-Instruct, and allows Qwen3-1.7B to reach o1-like reasoning accuracy. These results highlight the power of structured search in decoding, offering an alternative to brute-force sampling or scale-driven gains. Our work demonstrates how thoughtful inference-time strategies can enhance reasoning in SLMs, pointing toward future advances in more efficient and scalable language model deployment.

Bayes' rule tells us how to invert a causal process in order to update our beliefs in light of new evidence. If the process is believed to have a complex compositional structure, we may observe that the inversion of the whole can be computed piecewise in terms of the component processes. We study the structure of this compositional rule, noting that it relates to the lens pattern in functional programming. Working in a suitably general axiomatic presentation of a category of Markov kernels, we see how we can think of Bayesian inversion as a particular instance of a state-dependent morphism in a fibred category. We discuss the compositional nature of this, formulated as a functor on the underlying category and explore how this can used for a more type-driven approach to statistical inference.

This paper concerns the problem of aligning samples from large language models to human preferences using best-of-n sampling, where we draw n samples, rank them, and return the best one. We consider two fundamental problems. First: what is the relationship between best-of-n and approaches to alignment that train LLMs to output samples with a high expected reward (e.g., RLHF or DPO)? To answer this, we embed both the best-of-n distribution and the sampling distributions learned by alignment procedures in a common class of tiltings of the base LLM distribution. We then show that, within this class, best-of-n is essentially optimal in terms of the trade-off between win-rate against the base model vs KL distance from the base model. That is, best-of-n is the best choice of alignment distribution if the goal is to maximize win rate. However, best-of-n requires drawing n samples for each inference, a substantial cost. To avoid this, the second problem we consider is how to fine-tune a LLM to mimic the best-of-n sampling distribution. We derive BoNBoN Alignment to achieve this by exploiting the special structure of the best-of-n distribution. Experiments show that BoNBoN alignment yields substantial improvements in producing a model that is preferred to the base policy while minimally affecting off-target aspects.

Large language models (LLMs) have achieved significant performance gains via scaling up model sizes and/or data. However, recent evidence suggests diminishing returns from such approaches, motivating scaling the computation spent at inference time. Existing inference-time scaling methods, usually with reward models, cast the task as a search problem, which tends to be vulnerable to reward hacking as a consequence of approximation errors in reward models. In this paper, we instead cast inference-time scaling as a probabilistic inference task and leverage sampling-based techniques to explore the typical set of the state distribution of a state-space model with an approximate likelihood, rather than optimize for its mode directly. We propose a novel inference-time scaling approach by adapting particle-based Monte Carlo methods to this task. Our empirical evaluation demonstrates that our methods have a 4-16x better scaling rate over our deterministic search counterparts on various challenging mathematical reasoning tasks. Using our approach, we show that Qwen2.5-Math-1.5B-Instruct can surpass GPT-4o accuracy in only 4 rollouts, while Qwen2.5-Math-7B-Instruct scales to o1 level accuracy in only 32 rollouts. Our work not only presents an effective method to inference-time scaling, but also connects the rich literature in probabilistic inference with inference-time scaling of LLMs to develop more robust algorithms in future work. Code and further information is available at https://probabilistic-inference-scaling.github.io.

A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally tractable. Here, we develop an approach that simultaneously achieves both flexibility and tractability. The essential idea, inspired by non-equilibrium statistical physics, is to systematically and slowly destroy structure in a data distribution through an iterative forward diffusion process. We then learn a reverse diffusion process that restores structure in data, yielding a highly flexible and tractable generative model of the data. This approach allows us to rapidly learn, sample from, and evaluate probabilities in deep generative models with thousands of layers or time steps, as well as to compute conditional and posterior probabilities under the learned model. We additionally release an open source reference implementation of the algorithm.

Among the hardest tasks for humans are those found in competitive programming where problems require sophisticated algorithmic thinking, puzzle solving, and the creation of effective code. As a domain to assess language models (LMs), it has not received enough attention, though. This study presents the ICPC benchmark, which consists of 254 international collegiate programming contest (ICPC) tasks. Each problem includes official analysis, reference code, and sample, high-quality unit, and hidden tests. We are able to develop and evaluate a variety of LM inference techniques for competitive programming with these resources. With zero-shot chain-of-thought prompting, we find that o1 only achieves a 19.1\% pass@1 solve rate. With our best inference technique, which combines multi-turn self-judge with reflection and retrieval over episodic information, raises this to 42.2\%. Furthermore, we conduct a new human-in-the-loop investigation to gain a deeper understanding of the remaining difficulties. Surprisingly, we discover that o1 can solve 17 out of 18 problems that were previously unsolvable by any model or technique with just a few specific instructions. A footstep toward LMs with grounded, imaginative, and algorithmic thinking is provided by our quantitative findings and qualitative research. We open-source our code and data at https://github.com/kraritt/zolve.

Heuristic algorithms play a vital role in solving combinatorial optimization (CO) problems, yet traditional designs depend heavily on manual expertise and struggle to generalize across diverse instances. We introduce HeurAgenix, a two-stage hyper-heuristic framework powered by large language models (LLMs) that first evolves heuristics and then selects among them automatically. In the heuristic evolution phase, HeurAgenix leverages an LLM to compare seed heuristic solutions with higher-quality solutions and extract reusable evolution strategies. During problem solving, it dynamically picks the most promising heuristic for each problem state, guided by the LLM's perception ability. For flexibility, this selector can be either a state-of-the-art LLM or a fine-tuned lightweight model with lower inference cost. To mitigate the scarcity of reliable supervision caused by CO complexity, we fine-tune the lightweight heuristic selector with a dual-reward mechanism that jointly exploits singals from selection preferences and state perception, enabling robust selection under noisy annotations. Extensive experiments on canonical benchmarks show that HeurAgenix not only outperforms existing LLM-based hyper-heuristics but also matches or exceeds specialized solvers. Code is available at https://github.com/microsoft/HeurAgenix.

Within the field of causal inference, we consider the problem of estimating heterogeneous treatment effects from data. We propose and validate a novel approach for learning feature representations to aid the estimation of the conditional average treatment effect or CATE. Our method focuses on an intermediate layer in a neural network trained to predict the outcome from the features. In contrast to previous approaches that encourage the distribution of representations to be treatment-invariant, we leverage a genetic algorithm that optimizes over representations useful for predicting the outcome to select those less useful for predicting the treatment. This allows us to retain information within the features useful for predicting outcome even if that information may be related to treatment assignment. We validate our method on synthetic examples and illustrate its use on a real life dataset.

We propose a novel hierarchical Bayesian model for learning with a large (possibly infinite) number of tasks/episodes, which suits well the few-shot meta learning problem. We consider episode-wise random variables to model episode-specific target generative processes, where these local random variables are governed by a higher-level global random variate. The global variable helps memorize the important information from historic episodes while controlling how much the model needs to be adapted to new episodes in a principled Bayesian manner. Within our model framework, the prediction on a novel episode/task can be seen as a Bayesian inference problem. However, a main obstacle in learning with a large/infinite number of local random variables in online nature, is that one is not allowed to store the posterior distribution of the current local random variable for frequent future updates, typical in conventional variational inference. We need to be able to treat each local variable as a one-time iterate in the optimization. We propose a Normal-Inverse-Wishart model, for which we show that this one-time iterate optimization becomes feasible due to the approximate closed-form solutions for the local posterior distributions. The resulting algorithm is more attractive than the MAML in that it is not required to maintain computational graphs for the whole gradient optimization steps per episode. Our approach is also different from existing Bayesian meta learning methods in that unlike dealing with a single random variable for the whole episodes, our approach has a hierarchical structure that allows one-time episodic optimization, desirable for principled Bayesian learning with many/infinite tasks. The code is available at https://github.com/minyoungkim21/niwmeta.

Effective implementations of sampling-based probabilistic inference often require manually constructed, model-specific proposals. Inspired by recent progresses in meta-learning for training learning agents that can generalize to unseen environments, we propose a meta-learning approach to building effective and generalizable MCMC proposals. We parametrize the proposal as a neural network to provide fast approximations to block Gibbs conditionals. The learned neural proposals generalize to occurrences of common structural motifs across different models, allowing for the construction of a library of learned inference primitives that can accelerate inference on unseen models with no model-specific training required. We explore several applications including open-universe Gaussian mixture models, in which our learned proposals outperform a hand-tuned sampler, and a real-world named entity recognition task, in which our sampler yields higher final F1 scores than classical single-site Gibbs sampling.

Techniques that enhance inference through increased computation at test-time have recently gained attention. In this survey, we investigate the current state of LLM Inference-Time Self-Improvement from three different perspectives: Independent Self-improvement, focusing on enhancements via decoding or sampling methods; Context-Aware Self-Improvement, leveraging additional context or datastore; and Model-Aided Self-Improvement, achieving improvement through model collaboration. We provide a comprehensive review of recent relevant studies, contribute an in-depth taxonomy, and discuss challenges and limitations, offering insights for future research.

Inspired by the foundational works by Spivak and Fong and Cruttwell et al., we introduce a categorical framework to formalize Bayesian inference and learning. The two key ideas at play here are the notions of Bayesian inversions and the functor GL as constructed by Cruttwell et al.. In this context, we find that Bayesian learning is the simplest case of the learning paradigm. We then obtain categorical formulations of batch and sequential Bayes updates while also verifying that the two coincide in a specific example.

Understanding causality should be a core requirement of any attempt to build real impact through AI. Due to the inherent unobservability of counterfactuals, large randomised trials (RCTs) are the standard for causal inference. But large experiments are generically expensive, and randomisation carries its own costs, e.g. when suboptimal decisions are trialed. Recent work has proposed more sample-efficient alternatives to RCTs, but these are not adaptable to the downstream application for which the causal effect is sought. In this work, we develop a task-specific approach to experimental design and derive sampling strategies customised to particular downstream applications. Across a range of important tasks, real-world datasets, and sample sizes, our method outperforms other benchmarks, e.g. requiring an order-of-magnitude less data to match RCT performance on targeted marketing tasks.

We study the problem of estimating the distribution of the return of a policy using an offline dataset that is not generated from the policy, i.e., distributional offline policy evaluation (OPE). We propose an algorithm called Fitted Likelihood Estimation (FLE), which conducts a sequence of Maximum Likelihood Estimation (MLE) and has the flexibility of integrating any state-of-the-art probabilistic generative models as long as it can be trained via MLE. FLE can be used for both finite-horizon and infinite-horizon discounted settings where rewards can be multi-dimensional vectors. Our theoretical results show that for both finite-horizon and infinite-horizon discounted settings, FLE can learn distributions that are close to the ground truth under total variation distance and Wasserstein distance, respectively. Our theoretical results hold under the conditions that the offline data covers the test policy's traces and that the supervised learning MLE procedures succeed. Experimentally, we demonstrate the performance of FLE with two generative models, Gaussian mixture models and diffusion models. For the multi-dimensional reward setting, FLE with diffusion models is capable of estimating the complicated distribution of the return of a test policy.

The static synaptic connectivity of neuronal circuits stands in direct contrast to the dynamics of their function. As in changing community interactions, different neurons can participate actively in various combinations to effect behaviors at different times. We introduce an unsupervised approach to learn the dynamic affinities between neurons in live, behaving animals, and to reveal which communities form among neurons at different times. The inference occurs in two major steps. First, pairwise non-linear affinities between neuronal traces from brain-wide calcium activity are organized by non-negative tensor factorization (NTF). Each factor specifies which groups of neurons are most likely interacting for an inferred interval in time, and for which animals. Finally, a generative model that allows for weighted community detection is applied to the functional motifs produced by NTF to reveal a dynamic functional connectome. Since time codes the different experimental variables (e.g., application of chemical stimuli), this provides an atlas of neural motifs active during separate stages of an experiment (e.g., stimulus application or spontaneous behaviors). Results from our analysis are experimentally validated, confirming that our method is able to robustly predict causal interactions between neurons to generate behavior. Code is available at https://github.com/dyballa/dynamic-connectomes.

In this work we take a Category Theoretic perspective on the relationship between probabilistic modeling and function approximation. We begin by defining two extensions of function composition to stochastic process subordination: one based on the co-Kleisli category under the comonad (Omega x -) and one based on the parameterization of a category with a Lawvere theory. We show how these extensions relate to the category Stoch and other Markov Categories. Next, we apply the Para construction to extend stochastic processes to parameterized statistical models and we define a way to compose the likelihood functions of these models. We conclude with a demonstration of how the Maximum Likelihood Estimation procedure defines an identity-on-objects functor from the category of statistical models to the category of Learners. Code to accompany this paper can be found at https://github.com/dshieble/Categorical_Stochastic_Processes_and_Likelihood

There is a strong link between the general concept of intelligence and the ability to collect and use information. The theory of Bayes-adaptive exploration offers an attractive optimality framework for training machines to perform complex information gathering tasks. However, the computational complexity of the resulting optimal control problem has limited the diffusion of the theory to mainstream deep AI research. In this paper we exploit the inherent mathematical structure of Bayes-adaptive problems in order to dramatically simplify the problem by making the reward structure denser while simultaneously decoupling the learning of exploitation and exploration policies. The key to this simplification comes from the novel concept of cross-value (i.e. the value of being in an environment while acting optimally according to another), which we use to quantify the value of currently available information. This results in a new denser reward structure that "cashes in" all future rewards that can be predicted from the current information state. In a set of experiments we show that the approach makes it possible to learn challenging information gathering tasks without the use of shaping and heuristic bonuses in situations where the standard RL algorithms fail.

Circuits based on sum-product structure have become a ubiquitous representation to compactly encode knowledge, from Boolean functions to probability distributions. By imposing constraints on the structure of such circuits, certain inference queries become tractable, such as model counting and most probable configuration. Recent works have explored analyzing probabilistic and causal inference queries as compositions of basic operators to derive tractability conditions. In this paper, we take an algebraic perspective for compositional inference, and show that a large class of queries - including marginal MAP, probabilistic answer set programming inference, and causal backdoor adjustment - correspond to a combination of basic operators over semirings: aggregation, product, and elementwise mapping. Using this framework, we uncover simple and general sufficient conditions for tractable composition of these operators, in terms of circuit properties (e.g., marginal determinism, compatibility) and conditions on the elementwise mappings. Applying our analysis, we derive novel tractability conditions for many such compositional queries. Our results unify tractability conditions for existing problems on circuits, while providing a blueprint for analysing novel compositional inference queries.

We propose a novel speculative decoding method tailored for multi-sample reasoning scenarios, such as self-consistency and Best-of-N sampling. Our method exploits the intrinsic consensus of parallel generation paths to synthesize high-quality draft tokens without requiring auxiliary models or external databases. By dynamically analyzing structural patterns across parallel reasoning paths through a probabilistic aggregation mechanism, it identifies consensus token sequences that align with the decoding distribution. Evaluations on mathematical reasoning benchmarks demonstrate a substantial improvement in draft acceptance rates over baselines, while reducing the latency in draft token construction. This work establishes a paradigm shift for efficient multi-sample inference, enabling seamless integration of speculative decoding with sampling-based reasoning techniques.

We initiate the study of statistical inference and A/B testing for first-price pacing equilibria (FPPE). The FPPE model captures the dynamics resulting from large-scale first-price auction markets where buyers use pacing-based budget management. Such markets arise in the context of internet advertising, where budgets are prevalent. We propose a statistical framework for the FPPE model, in which a limit FPPE with a continuum of items models the long-run steady-state behavior of the auction platform, and an observable FPPE consisting of a finite number of items provides the data to estimate primitives of the limit FPPE, such as revenue, Nash social welfare (a fair metric of efficiency), and other parameters of interest. We develop central limit theorems and asymptotically valid confidence intervals. Furthermore, we establish the asymptotic local minimax optimality of our estimators. We then show that the theory can be used for conducting statistically valid A/B testing on auction platforms. Numerical simulations verify our central limit theorems, and empirical coverage rates for our confidence intervals agree with our theory.

We consider the problem of ranking n experts based on their performances on d tasks. We make a monotonicity assumption stating that for each pair of experts, one outperforms the other on all tasks. We consider the sequential setting where in each round, the learner has access to noisy evaluations of actively chosen pair of expert-task, given the information available up to the actual round. Given a confidence parameter delta in (0, 1), we provide strategies allowing to recover the correct ranking of experts and develop a bound on the total number of queries made by our algorithm that hold with probability at least 1 -- delta. We show that our strategy is adaptive to the complexity of the problem (our bounds are instance dependent), and develop matching lower bounds up to a poly-logarithmic factor. Finally, we adapt our strategy to the relaxed problem of best expert identification and provide numerical simulation consistent with our theoretical results.

Recent advancements in large language models (LLMs) have substantially enhanced their mathematical reasoning abilities. However, these models still struggle with complex problems that require multiple reasoning steps, frequently leading to logical or numerical errors. While numerical mistakes can be largely addressed by integrating a code interpreter, identifying logical errors within intermediate steps is more challenging. Moreover, manually annotating these steps for training is not only expensive but also labor-intensive, requiring the expertise of professional annotators. In our study, we introduce an innovative approach that bypasses the need for process annotations (from human or GPTs) by utilizing the Monte Carlo Tree Search (MCTS) framework. This technique automatically generates both the process supervision and the step-level evaluation signals. Our method iteratively trains the policy and value models, leveraging the capabilities of a well-pretrained LLM to progressively enhance its mathematical reasoning skills. Furthermore, we propose an efficient inference strategy-step-level beam search, where the value model is crafted to assist the policy model (i.e., LLM) in navigating more effective reasoning paths, rather than solely relying on prior probabilities. The experimental results on both in-domain and out-of-domain datasets demonstrate that even without GPT-4 or human-annotated process supervision, our AlphaMath framework achieves comparable or superior results to previous state-of-the-art methods.

Instrumental variable methods have been widely used to identify causal effects in the presence of unmeasured confounding. A key identification condition known as the exclusion restriction states that the instrument cannot have a direct effect on the outcome which is not mediated by the exposure in view. In the health and social sciences, such an assumption is often not credible. To address this concern, we consider identification conditions of the population average treatment effect with an invalid instrumental variable which does not satisfy the exclusion restriction, and derive the efficient influence function targeting the identifying functional under a nonparametric observed data model. We propose a novel multiply robust locally efficient estimator of the average treatment effect that is consistent in the union of multiple parametric nuisance models, as well as a multiply debiased machine learning estimator for which the nuisance parameters are estimated using generic machine learning methods, that effectively exploit various forms of linear or nonlinear structured sparsity in the nuisance parameter space. When one cannot be confident that any of these machine learners is consistent at sufficiently fast rates to ensure n-consistency for the average treatment effect, we introduce a new criteria for selective machine learning which leverages the multiple robustness property in order to ensure small bias. The proposed methods are illustrated through extensive simulations and a data analysis evaluating the causal effect of 401(k) participation on savings.

The deployment of ever-larger machine learning models reflects a growing consensus that the more expressive the modelx2013and the more data one has access tox2013the more one can improve performance. As models get deployed in a variety of real world scenarios, they inevitably face strategic environments. In this work, we consider the natural question of how the interplay of models and strategic interactions affects scaling laws. We find that strategic interactions can break the conventional view of scaling lawsx2013meaning that performance does not necessarily monotonically improve as models get larger and/ or more expressive (even with infinite data). We show the implications of this phenomenon in several contexts including strategic regression, strategic classification, and multi-agent reinforcement learning through examples of strategic environments in whichx2013by simply restricting the expressivity of one's model or policy classx2013one can achieve strictly better equilibrium outcomes. Motivated by these examples, we then propose a new paradigm for model-selection in games wherein an agent seeks to choose amongst different model classes to use as their action set in a game.

Sequential Bayesian inference can be used for continual learning to prevent catastrophic forgetting of past tasks and provide an informative prior when learning new tasks. We revisit sequential Bayesian inference and test whether having access to the true posterior is guaranteed to prevent catastrophic forgetting in Bayesian neural networks. To do this we perform sequential Bayesian inference using Hamiltonian Monte Carlo. We propagate the posterior as a prior for new tasks by fitting a density estimator on Hamiltonian Monte Carlo samples. We find that this approach fails to prevent catastrophic forgetting demonstrating the difficulty in performing sequential Bayesian inference in neural networks. From there we study simple analytical examples of sequential Bayesian inference and CL and highlight the issue of model misspecification which can lead to sub-optimal continual learning performance despite exact inference. Furthermore, we discuss how task data imbalances can cause forgetting. From these limitations, we argue that we need probabilistic models of the continual learning generative process rather than relying on sequential Bayesian inference over Bayesian neural network weights. In this vein, we also propose a simple baseline called Prototypical Bayesian Continual Learning, which is competitive with state-of-the-art Bayesian continual learning methods on class incremental continual learning vision benchmarks.

Active learning is a machine learning paradigm that aims to improve the performance of a model by strategically selecting and querying unlabeled data. One effective selection strategy is to base it on the model's predictive uncertainty, which can be interpreted as a measure of how informative a sample is. The sample's distance to the decision boundary is a natural measure of predictive uncertainty, but it is often intractable to compute, especially for complex decision boundaries formed in multiclass classification tasks. To address this issue, this paper proposes the {\it least disagree metric} (LDM), defined as the smallest probability of disagreement of the predicted label, and an estimator for LDM proven to be asymptotically consistent under mild assumptions. The estimator is computationally efficient and can be easily implemented for deep learning models using parameter perturbation. The LDM-based active learning is performed by querying unlabeled data with the smallest LDM. Experimental results show that our LDM-based active learning algorithm obtains state-of-the-art overall performance on all considered datasets and deep architectures.

While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner, e.g. for composing multiple pretrained models. Existing classifier-free guidance methods use a simple heuristic to mix conditional and unconditional scores to approximately sample from conditional distributions. However, such methods do not approximate the intermediate distributions, necessitating additional 'corrector' steps. In this work, we provide an efficient and principled method for sampling from a sequence of annealed, geometric-averaged, or product distributions derived from pretrained score-based models. We derive a weighted simulation scheme which we call Feynman-Kac Correctors (FKCs) based on the celebrated Feynman-Kac formula by carefully accounting for terms in the appropriate partial differential equations (PDEs). To simulate these PDEs, we propose Sequential Monte Carlo (SMC) resampling algorithms that leverage inference-time scaling to improve sampling quality. We empirically demonstrate the utility of our methods by proposing amortized sampling via inference-time temperature annealing, improving multi-objective molecule generation using pretrained models, and improving classifier-free guidance for text-to-image generation. Our code is available at https://github.com/martaskrt/fkc-diffusion.

When selecting data for training large-scale models, standard practice is to filter for examples that match human notions of data quality. Such filtering yields qualitatively clean datapoints that intuitively should improve model behavior. However, in practice the opposite can often happen: we find that selecting according to similarity with "high quality" data sources may not increase (and can even hurt) performance compared to randomly selecting data. To develop better methods for selecting data, we start by framing dataset selection as an optimization problem that we can directly solve for: given target tasks, a learning algorithm, and candidate data, select the subset that maximizes model performance. This framework thus avoids handpicked notions of data quality, and instead models explicitly how the learning process uses train datapoints to predict on the target tasks. Our resulting method greatly improves language model (LM) performance on both pre-specified tasks and previously unseen tasks. Specifically, choosing target tasks representative of standard LM problems and evaluating on diverse held-out benchmarks, our selected datasets provide a 2x compute multiplier over baseline methods.

Large language models (LLMs) are widely applied in chatbots, code generators, and search engines. Workloads such as chain-of-thought, complex reasoning, and agent services significantly increase the inference cost by invoking the model repeatedly. Optimization methods such as parallelism, compression, and caching have been adopted to reduce costs, but the diverse service requirements make it hard to select the right method. Recently, specialized LLM inference engines have emerged as a key component for integrating the optimization methods into service-oriented infrastructures. However, a systematic study on inference engines is still lacking. This paper provides a comprehensive evaluation of 25 open-source and commercial inference engines. We examine each inference engine in terms of ease-of-use, ease-of-deployment, general-purpose support, scalability, and suitability for throughput- and latency-aware computation. Furthermore, we explore the design goals of each inference engine by investigating the optimization techniques it supports. In addition, we assess the ecosystem maturity of open source inference engines and handle the performance and cost policy of commercial solutions. We outline future research directions that include support for complex LLM-based services, support of various hardware, and enhanced security, offering practical guidance to researchers and developers in selecting and designing optimized LLM inference engines. We also provide a public repository to continually track developments in this fast-evolving field: https://github.com/sihyeong/Awesome-LLM-Inference-Engine

Real-world classifiers can benefit from the option of abstaining from predicting on samples where they have low confidence. Such abstention is particularly useful on samples which are close to the learned decision boundary, or which are outliers with respect to the training sample. These settings have been the subject of extensive but disjoint study in the selective classification (SC) and out-of-distribution (OOD) detection literature. Recent work on selective classification with OOD detection (SCOD) has argued for the unified study of these problems; however, the formal underpinnings of this problem are still nascent, and existing techniques are heuristic in nature. In this paper, we propose new plugin estimators for SCOD that are theoretically grounded, effective, and generalise existing approaches from the SC and OOD detection literature. In the course of our analysis, we formally explicate how na\"{i}ve use of existing SC and OOD detection baselines may be inadequate for SCOD. We empirically demonstrate that our approaches yields competitive SC and OOD detection performance compared to baselines from both literatures.

Leveraging recent advancements in large language models, modern neural code completion models have demonstrated the capability to generate highly accurate code suggestions. However, their massive size poses challenges in terms of computational costs and environmental impact, hindering their widespread adoption in practical scenarios. Dynamic inference emerges as a promising solution, as it allocates minimal computation during inference while maintaining the model's performance. In this research, we explore dynamic inference within the context of code completion. Initially, we conducted an empirical investigation on GPT-2, focusing on the inference capabilities of intermediate layers for code completion. We found that 54.4% of tokens can be accurately generated using just the first layer, signifying significant computational savings potential. Moreover, despite using all layers, the model still fails to predict 14.5% of tokens correctly, and the subsequent completions continued from them are rarely considered helpful, with only a 4.2% Acceptance Rate. These findings motivate our exploration of dynamic inference in code completion and inspire us to enhance it with a decision-making mechanism that stops the generation of incorrect code. We thus propose a novel dynamic inference method specifically tailored for code completion models. This method aims not only to produce correct predictions with largely reduced computation but also to prevent incorrect predictions proactively. Our extensive evaluation shows that it can averagely skip 1.7 layers out of 16 layers in the models, leading to an 11.2% speedup with only a marginal 1.1% reduction in ROUGE-L.

Extracting causal relationships from observed correlations is a growing area in probabilistic reasoning, originating with the seminal work of Pearl and others from the early 1990s. This paper develops a new, categorically oriented view based on a clear distinction between syntax (string diagrams) and semantics (stochastic matrices), connected via interpretations as structure-preserving functors. A key notion in the identification of causal effects is that of an intervention, whereby a variable is forcefully set to a particular value independent of any prior propensities. We represent the effect of such an intervention as an endofunctor which performs `string diagram surgery' within the syntactic category of string diagrams. This diagram surgery in turn yields a new, interventional distribution via the interpretation functor. While in general there is no way to compute interventional distributions purely from observed data, we show that this is possible in certain special cases using a calculational tool called comb disintegration. We demonstrate the use of this technique on a well-known toy example, where we predict the causal effect of smoking on cancer in the presence of a confounding common cause. After developing this specific example, we show this technique provides simple sufficient conditions for computing interventions which apply to a wide variety of situations considered in the causal inference literature.

Diffusion-based generative models (DBGMs) perturb data to a target noise distribution and reverse this process to generate samples. The choice of noising process, or inference diffusion process, affects both likelihoods and sample quality. For example, extending the inference process with auxiliary variables leads to improved sample quality. While there are many such multivariate diffusions to explore, each new one requires significant model-specific analysis, hindering rapid prototyping and evaluation. In this work, we study Multivariate Diffusion Models (MDMs). For any number of auxiliary variables, we provide a recipe for maximizing a lower-bound on the MDMs likelihood without requiring any model-specific analysis. We then demonstrate how to parameterize the diffusion for a specified target noise distribution; these two points together enable optimizing the inference diffusion process. Optimizing the diffusion expands easy experimentation from just a few well-known processes to an automatic search over all linear diffusions. To demonstrate these ideas, we introduce two new specific diffusions as well as learn a diffusion process on the MNIST, CIFAR10, and ImageNet32 datasets. We show learned MDMs match or surpass bits-per-dims (BPDs) relative to fixed choices of diffusions for a given dataset and model architecture.

The ethical concept of fairness has recently been applied in machine learning (ML) settings to describe a wide range of constraints and objectives. When considering the relevance of ethical concepts to subset selection problems, the concepts of diversity and inclusion are additionally applicable in order to create outputs that account for social power and access differentials. We introduce metrics based on these concepts, which can be applied together, separately, and in tandem with additional fairness constraints. Results from human subject experiments lend support to the proposed criteria. Social choice methods can additionally be leveraged to aggregate and choose preferable sets, and we detail how these may be applied.

Causal Inference plays an significant role in explaining the decisions taken by statistical models and artificial intelligence models. Of late, this field started attracting the attention of researchers and practitioners alike. This paper presents a comprehensive survey of 37 papers published during 1992-2023 and concerning the application of causal inference to banking, finance, and insurance. The papers are categorized according to the following families of domains: (i) Banking, (ii) Finance and its subdomains such as corporate finance, governance finance including financial risk and financial policy, financial economics, and Behavioral finance, and (iii) Insurance. Further, the paper covers the primary ingredients of causal inference namely, statistical methods such as Bayesian Causal Network, Granger Causality and jargon used thereof such as counterfactuals. The review also recommends some important directions for future research. In conclusion, we observed that the application of causal inference in the banking and insurance sectors is still in its infancy, and thus more research is possible to turn it into a viable method.

Inferring unbiased treatment effects has received widespread attention in the machine learning community. In recent years, our community has proposed numerous solutions in standard settings, high-dimensional treatment settings, and even longitudinal settings. While very diverse, the solution has mostly relied on neural networks for inference and simultaneous correction of assignment bias. New approaches typically build on top of previous approaches by proposing new (or refined) architectures and learning algorithms. However, the end result -- a neural-network-based inference machine -- remains unchallenged. In this paper, we introduce a different type of solution in the longitudinal setting: a closed-form ordinary differential equation (ODE). While we still rely on continuous optimization to learn an ODE, the resulting inference machine is no longer a neural network. Doing so yields several advantages such as interpretability, irregular sampling, and a different set of identification assumptions. Above all, we consider the introduction of a completely new type of solution to be our most important contribution as it may spark entirely new innovations in treatment effects in general. We facilitate this by formulating our contribution as a framework that can transform any ODE discovery method into a treatment effects method.

While multi-modal large language models (MLLMs) have made significant progress in complex reasoning tasks via reinforcement learning, it is commonly believed that extensive training data is necessary for improving multi-modal reasoning ability, inevitably leading to data redundancy and substantial computational costs. However, can smaller high-value datasets match or outperform full corpora for multi-modal reasoning in MLLMs? In this work, we challenge this assumption through a key observation: meaningful multi-modal reasoning is triggered by only a sparse subset of training samples, termed cognitive samples, whereas the majority contribute marginally. Building on this insight, we propose a novel data selection paradigm termed Reasoning Activation Potential (RAP), which identifies cognitive samples by estimating each sample's potential to stimulate genuine multi-modal reasoning by two complementary estimators: 1) Causal Discrepancy Estimator (CDE) based on the potential outcome model principle, eliminates samples that overly rely on language priors by comparing outputs between multi-modal and text-only inputs; 2) Attention Confidence Estimator (ACE), which exploits token-level self-attention to discard samples dominated by irrelevant but over-emphasized tokens in intermediate reasoning stages. Moreover, we introduce a Difficulty-aware Replacement Module (DRM) to substitute trivial instances with cognitively challenging ones, thereby ensuring complexity for robust multi-modal reasoning. Experiments on six datasets show that our RAP method consistently achieves superior performance using only 9.3% of the training data, while reducing computational costs by over 43%. Our code is available at https://github.com/Leo-ssl/RAP.

Large language models (LLMs) are increasingly evaluated on single-answer multiple-choice tasks, yet many real-world problems require identifying all correct answers from a set of options. This capability remains underexplored. We introduce SATA-BENCH, the first dedicated benchmark for evaluating LLMs on Select All That Apply (SATA) questions across diverse domains, including reading comprehension, law, and biomedicine. Our evaluation of 27 open-source and proprietary models reveals a significant gap: even the strongest model achieves only 41.8% exact match, exposing LLMs' inability to reliably identify all correct answers. We find that this weakness stems from two core challenges: selection bias - models favor certain choices regardless of content, and count bias - models fail to predict the correct number of answers. To address these issues, we propose Choice Funnel, a decoding strategy that combines token debiasing with adaptive thresholding to guide models toward complete and accurate selections. Choice Funnel achieves up to 29% higher exact match than competitive baselines while reducing inference cost by over 64%. Our findings expose fundamental limitations in current LLMs and introduce a new framework for diagnosing and improving multi-answer reasoning. We release SATA-BENCH and Choice Funnel to promote LLM development for robust decision-making in realistic, multi-answer applications.

One of the most profound challenges of modern machine learning is performing well on the long-tail of rare and underrepresented features. Large general-purpose models are trained for many tasks, but work best on high-frequency use cases. After training, it is hard to adapt a model to perform well on specific use cases underrepresented in the training corpus. Relying on prompt engineering or few-shot examples to maximize the output quality on a particular test case can be frustrating, as models can be highly sensitive to small changes, react in unpredicted ways or rely on a fixed system prompt for maintaining performance. In this work, we ask: "Can we optimize our training protocols to both improve controllability and performance on underrepresented use cases at inference time?" We revisit the divide between training and inference techniques to improve long-tail performance while providing users with a set of control levers the model is trained to be responsive to. We create a detailed taxonomy of data characteristics and task provenance to explicitly control generation attributes and implicitly condition generations at inference time. We fine-tune a base model to infer these markers automatically, which makes them optional at inference time. This principled and flexible approach yields pronounced improvements in performance, especially on examples from the long tail of the training distribution. While we observe an average lift of 5.7% win rates in open-ended generation quality with our markers, we see over 9.1% gains in underrepresented domains. We also observe relative lifts of up to 14.1% on underrepresented tasks like CodeRepair and absolute improvements of 35.3% on length instruction following evaluations.

We consider the task of evaluating policies of algorithmic resource allocation through randomized controlled trials (RCTs). Such policies are tasked with optimizing the utilization of limited intervention resources, with the goal of maximizing the benefits derived. Evaluation of such allocation policies through RCTs proves difficult, notwithstanding the scale of the trial, because the individuals' outcomes are inextricably interlinked through resource constraints controlling the policy decisions. Our key contribution is to present a new estimator leveraging our proposed novel concept, that involves retrospective reshuffling of participants across experimental arms at the end of an RCT. We identify conditions under which such reassignments are permissible and can be leveraged to construct counterfactual trials, whose outcomes can be accurately ascertained, for free. We prove theoretically that such an estimator is more accurate than common estimators based on sample means -- we show that it returns an unbiased estimate and simultaneously reduces variance. We demonstrate the value of our approach through empirical experiments on synthetic, semi-synthetic as well as real case study data and show improved estimation accuracy across the board.

The task of mixture proportion estimation (MPE) is to estimate the weight of a component distribution in a mixture, given observations from both the component and mixture. Previous work on MPE adopts the irreducibility assumption, which ensures identifiablity of the mixture proportion. In this paper, we propose a more general sufficient condition that accommodates several settings of interest where irreducibility does not hold. We further present a resampling-based meta-algorithm that takes any existing MPE algorithm designed to work under irreducibility and adapts it to work under our more general condition. Our approach empirically exhibits improved estimation performance relative to baseline methods and to a recently proposed regrouping-based algorithm.

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.

Maintaining genetic diversity as a means to avoid premature convergence is critical in Genetic Programming. Several approaches have been proposed to achieve this, with some focusing on the mating phase from coupling dissimilar solutions to some form of self-adaptive selection mechanism. In nature, genetic diversity can be the consequence of many different factors, but when considering reproduction Sexual Selection can have an impact on promoting variety within a species. Specifically, Mate Choice often results in different selective pressures between sexes, which in turn may trigger evolutionary differences among them. Although some mechanisms of Sexual Selection have been applied to Genetic Programming in the past, the literature is scarce when it comes to mate choice. Recently, a way of modelling mating preferences by ideal mate representations was proposed, achieving good results when compared to a standard approach. These mating preferences evolve freely in a self-adaptive fashion, creating an evolutionary driving force of its own alongside fitness pressure. The inner mechanisms of this approach operate from personal choice, as each individual has its own representation of a perfect mate which affects the mate to be selected. In this paper, we compare this method against a random mate choice to assess whether there are advantages in evolving personal preferences. We conducted experiments using three symbolic regression problems and different mutation rates. The results show that self-adaptive mating preferences are able to create a more diverse set of solutions when compared to the traditional approach and a random mate approach (with statistically significant differences) and have a higher success rate in three of the six instances tested.

We introduce and study the problem of detecting whether an agent is updating their prior beliefs given new evidence in an optimal way that is Bayesian, or whether they are biased towards their own prior. In our model, biased agents form posterior beliefs that are a convex combination of their prior and the Bayesian posterior, where the more biased an agent is, the closer their posterior is to the prior. Since we often cannot observe the agent's beliefs directly, we take an approach inspired by information design. Specifically, we measure an agent's bias by designing a signaling scheme and observing the actions they take in response to different signals, assuming that they are maximizing their own expected utility; our goal is to detect bias with a minimum number of signals. Our main results include a characterization of scenarios where a single signal suffices and a computationally efficient algorithm to compute optimal signaling schemes.

In science and medicine, model interpretations may be reported as discoveries of natural phenomena or used to guide patient treatments. In such high-stakes tasks, false discoveries may lead investigators astray. These applications would therefore benefit from control over the finite-sample error rate of interpretations. We reframe black box model interpretability as a multiple hypothesis testing problem. The task is to discover "important" features by testing whether the model prediction is significantly different from what would be expected if the features were replaced with uninformative counterfactuals. We propose two testing methods: one that provably controls the false discovery rate but which is not yet feasible for large-scale applications, and an approximate testing method which can be applied to real-world data sets. In simulation, both tests have high power relative to existing interpretability methods. When applied to state-of-the-art vision and language models, the framework selects features that intuitively explain model predictions. The resulting explanations have the additional advantage that they are themselves easy to interpret.

With few exceptions, neural networks have been relying on backpropagation and gradient descent as the inference engine in order to learn the model parameters, because the closed-form Bayesian inference for neural networks has been considered to be intractable. In this paper, we show how we can leverage the tractable approximate Gaussian inference's (TAGI) capabilities to infer hidden states, rather than only using it for inferring the network's parameters. One novel aspect it allows is to infer hidden states through the imposition of constraints designed to achieve specific objectives, as illustrated through three examples: (1) the generation of adversarial-attack examples, (2) the usage of a neural network as a black-box optimization method, and (3) the application of inference on continuous-action reinforcement learning. These applications showcase how tasks that were previously reserved to gradient-based optimization approaches can now be approached with analytically tractable inference

The recent proliferation of research into transformer based natural language processing has led to a number of studies which attempt to detect the presence of human-like cognitive behavior in the models. We contend that, as is true of human psychology, the investigation of cognitive behavior in language models must be conducted in an appropriate population of an appropriate size for the results to be meaningful. We leverage work in uncertainty estimation in a novel approach to efficiently construct experimental populations. The resultant tool, PopulationLM, has been made open source. We provide theoretical grounding in the uncertainty estimation literature and motivation from current cognitive work regarding language models. We discuss the methodological lessons from other scientific communities and attempt to demonstrate their application to two artificial population studies. Through population based experimentation we find that language models exhibit behavior consistent with typicality effects among categories highly represented in training. However, we find that language models don't tend to exhibit structural priming effects. Generally, our results show that single models tend to over estimate the presence of cognitive behaviors in neural models.

Large language models (LLMs) currently dominate the field of natural language processing (NLP), representing the state-of-the-art across a diverse array of tasks. Developing a model of this nature, from training to inference, requires making numerous decisions which define a combinatorial search problem. For example, selecting the optimal pre-trained LLM, prompt, or hyperparameters to attain the best performance for a task often requires evaluating multiple candidates on an entire test set. This exhaustive evaluation can be time-consuming and costly, as both inference and metric computation with LLMs are resource-intensive. In this paper, we address the challenge of identifying the best method within a limited budget for evaluating methods on test examples. By leveraging the well-studied multi-armed bandit framework, which sequentially selects the next method-example pair to evaluate, our approach, combining multi-armed bandit algorithms with low-rank factorization, significantly reduces the required resources. Experiments show that our algorithms can identify the top-performing method using only 5-15\% of the typically needed resources, resulting in an 85-95\% reduction in cost.

A variety of recent papers discuss the application of Shapley values, a concept for explaining coalitional games, for feature attribution in machine learning. However, the correct way to connect a machine learning model to a coalitional game has been a source of controversy. The two main approaches that have been proposed differ in the way that they condition on known features, using either (1) an interventional or (2) an observational conditional expectation. While previous work has argued that one of the two approaches is preferable in general, we argue that the choice is application dependent. Furthermore, we argue that the choice comes down to whether it is desirable to be true to the model or true to the data. We use linear models to investigate this choice. After deriving an efficient method for calculating observational conditional expectation Shapley values for linear models, we investigate how correlation in simulated data impacts the convergence of observational conditional expectation Shapley values. Finally, we present two real data examples that we consider to be representative of possible use cases for feature attribution -- (1) credit risk modeling and (2) biological discovery. We show how a different choice of value function performs better in each scenario, and how possible attributions are impacted by modeling choices.

We examine the reasoning and planning capabilities of large language models (LLMs) in solving complex tasks. Recent advances in inference-time techniques demonstrate the potential to enhance LLM reasoning without additional training by exploring intermediate steps during inference. Notably, OpenAI's o1 model shows promising performance through its novel use of multi-step reasoning and verification. Here, we explore how scaling inference-time techniques can improve reasoning and planning, focusing on understanding the tradeoff between computational cost and performance. To this end, we construct a comprehensive benchmark, known as Sys2Bench, and perform extensive experiments evaluating existing inference-time techniques on eleven diverse tasks across five categories, including arithmetic reasoning, logical reasoning, common sense reasoning, algorithmic reasoning, and planning. Our findings indicate that simply scaling inference-time computation has limitations, as no single inference-time technique consistently performs well across all reasoning and planning tasks.

Recently, long-thought reasoning LLMs, such as OpenAI's O1, adopt extended reasoning processes similar to how humans ponder over complex problems. This reasoning paradigm significantly enhances the model's problem-solving abilities and has achieved promising results. However, long-thought reasoning process leads to a substantial increase in inference time. A pressing challenge is reducing the inference overhead of long-thought LLMs while ensuring accuracy. In this paper, we experimentally demonstrate that long-thought reasoning models struggle to effectively allocate token budgets based on problem difficulty and reasoning redundancies. To address this, we propose Length-Harmonizing Fine-Tuning (O1-Pruner), aiming at minimizing reasoning overhead while maintaining accuracy. This effective fine-tuning method first estimates the LLM's baseline performance through pre-sampling and then uses RL-style fine-tuning to encourage the model to generate shorter reasoning processes under accuracy constraints. This allows the model to achieve efficient reasoning with lower redundancy while maintaining accuracy. Experiments on various mathematical reasoning benchmarks show that O1-Pruner not only significantly reduces inference overhead but also achieves higher accuracy, providing a novel and promising solution to this challenge. Our code is coming soon at https://github.com/StarDewXXX/O1-Pruner

In this paper, we introduce the Preselection Bandit problem, in which the learner preselects a subset of arms (choice alternatives) for a user, which then chooses the final arm from this subset. The learner is not aware of the user's preferences, but can learn them from observed choices. In our concrete setting, we allow these choices to be stochastic and model the user's actions by means of the Plackett-Luce model. The learner's main task is to preselect subsets that eventually lead to highly preferred choices. To formalize this goal, we introduce a reasonable notion of regret and derive lower bounds on the expected regret. Moreover, we propose algorithms for which the upper bound on expected regret matches the lower bound up to a logarithmic term of the time horizon.

Best-of-n sampling improves the accuracy of large language models (LLMs) and large reasoning models (LRMs) by generating multiple candidate solutions and selecting the one with the highest reward. The key challenge for reasoning tasks is designing a scoring function that can identify correct reasoning chains without access to ground-truth answers. We propose Probabilistic Confidence Selection And Ranking (PiCSAR): a simple, training-free method that scores each candidate generation using the joint log-likelihood of the reasoning and final answer. The joint log-likelihood of the reasoning and final answer naturally decomposes into reasoning confidence and answer confidence. PiCSAR achieves substantial gains across diverse benchmarks (+10.18 on MATH500, +9.81 on AIME2025), outperforming baselines with at least 2x fewer samples in 16 out of 20 comparisons. Our analysis reveals that correct reasoning chains exhibit significantly higher reasoning and answer confidence, justifying the effectiveness of PiCSAR.

Large language models (LLMs) have rapidly progressed into general-purpose agents capable of solving a broad spectrum of tasks. However, current models remain inefficient at reasoning: they apply fixed inference-time compute regardless of task complexity, often overthinking simple problems while underthinking hard ones. This survey presents a comprehensive review of efficient test-time compute (TTC) strategies, which aim to improve the computational efficiency of LLM reasoning. We introduce a two-tiered taxonomy that distinguishes between L1-controllability, methods that operate under fixed compute budgets, and L2-adaptiveness, methods that dynamically scale inference based on input difficulty or model confidence. We benchmark leading proprietary LLMs across diverse datasets, highlighting critical trade-offs between reasoning performance and token usage. Compared to prior surveys on efficient reasoning, our review emphasizes the practical control, adaptability, and scalability of TTC methods. Finally, we discuss emerging trends such as hybrid thinking models and identify key challenges for future work towards making LLMs more computationally efficient, robust, and responsive to user constraints.

Language models can store vast amounts of factual knowledge, but their ability to use this knowledge for logical reasoning remains questionable. This paper explores a language model's ability to manipulate its stored knowledge during inference. We focus on four manipulation types: retrieval (e.g., "What is person A's attribute X"), classification (e.g., "Is A's attribute X even or odd?"), comparison (e.g., "Is A greater than B in attribute X?") and inverse search (e.g., "Which person's attribute X equals T?") We observe that pre-trained language models like GPT2/3/4 excel in knowledge retrieval but struggle with simple classification or comparison tasks unless Chain of Thoughts (CoTs) are employed during both training and inference. They also perform poorly in inverse knowledge search, irrespective of the prompts. Our primary contribution is a synthetic dataset for a controlled experiment that confirms these inherent weaknesses: a language model cannot efficiently manipulate knowledge from pre-training data, even when such knowledge is perfectly stored and fully extractable in the models, and despite adequate instruct fine-tuning.

For a parametric model of distributions, the closest distribution in the model to the true distribution located outside the model is considered. Measuring the closeness between two distributions with the Kullback-Leibler (K-L) divergence, the closest distribution is called the "information projection." The estimation risk of the maximum likelihood estimator (MLE) is defined as the expectation of K-L divergence between the information projection and the predictive distribution with plugged-in MLE. Here, the asymptotic expansion of the risk is derived up to n^{-2}-order, and the sufficient condition on the risk for the Bayes error rate between the true distribution and the information projection to be lower than a specified value is investigated. Combining these results, the "p-n criterion" is proposed, which determines whether the MLE is sufficiently close to the information projection for the given model and sample. In particular, the criterion for an exponential family model is relatively simple and can be used for a complex model with no explicit form of normalizing constant. This criterion can constitute a solution to the sample size or model acceptance problem. Use of the p-n criteria is demonstrated for two practical datasets. The relationship between the results and information criteria is also studied.

The mathematical study of voting, social choice theory, has traditionally only been applicable to choices among a few predetermined alternatives, but not to open-ended decisions such as collectively selecting a textual statement. We introduce generative social choice, a design methodology for open-ended democratic processes that combines the rigor of social choice theory with the capability of large language models to generate text and extrapolate preferences. Our framework divides the design of AI-augmented democratic processes into two components: first, proving that the process satisfies representation guarantees when given access to oracle queries; second, empirically validating that these queries can be approximately implemented using a large language model. We apply this framework to the problem of summarizing free-form opinions into a proportionally representative slate of opinion statements; specifically, we develop a democratic process with representation guarantees and use this process to portray the opinions of participants in a survey about abortion policy. In a trial with 100 representative US residents, we find that 84 out of 100 participants feel "excellently" or "exceptionally" represented by the slate of five statements we extracted.

This paper introduces a novel type theory and logic for probabilistic reasoning. Its logic is quantitative, with fuzzy predicates. It includes normalisation and conditioning of states. This conditioning uses a key aspect that distinguishes our probabilistic type theory from quantum type theory, namely the bijective correspondence between predicates and side-effect free actions (called instrument, or assert, maps). The paper shows how suitable computation rules can be derived from this predicate-action correspondence, and uses these rules for calculating conditional probabilities in two well-known examples of Bayesian reasoning in (graphical) models. Our type theory may thus form the basis for a mechanisation of Bayesian inference.

Backpropagation (BP) is the most successful and widely used algorithm in deep learning. However, the computations required by BP are challenging to reconcile with known neurobiology. This difficulty has stimulated interest in more biologically plausible alternatives to BP. One such algorithm is the inference learning algorithm (IL). IL has close connections to neurobiological models of cortical function and has achieved equal performance to BP on supervised learning and auto-associative tasks. In contrast to BP, however, the mathematical foundations of IL are not well-understood. Here, we develop a novel theoretical framework for IL. Our main result is that IL closely approximates an optimization method known as implicit stochastic gradient descent (implicit SGD), which is distinct from the explicit SGD implemented by BP. Our results further show how the standard implementation of IL can be altered to better approximate implicit SGD. Our novel implementation considerably improves the stability of IL across learning rates, which is consistent with our theory, as a key property of implicit SGD is its stability. We provide extensive simulation results that further support our theoretical interpretations and also demonstrate IL achieves quicker convergence when trained with small mini-batches while matching the performance of BP for large mini-batches.

The capabilities and adoption of deep neural networks (DNNs) grow at an exhilarating pace: Vision models accurately classify human actions in videos and identify cancerous tissue in medical scans as precisely than human experts; large language models answer wide-ranging questions, generate code, and write prose, becoming the topic of everyday dinner-table conversations. Even though their uses are exhilarating, the continually increasing model sizes and computational complexities have a dark side. The economic cost and negative environmental externalities of training and serving models is in evident disharmony with financial viability and climate action goals. Instead of pursuing yet another increase in predictive performance, this dissertation is dedicated to the improvement of neural network efficiency. Specifically, a core contribution addresses the efficiency aspects during online inference. Here, the concept of Continual Inference Networks (CINs) is proposed and explored across four publications. CINs extend prior state-of-the-art methods developed for offline processing of spatio-temporal data and reuse their pre-trained weights, improving their online processing efficiency by an order of magnitude. These advances are attained through a bottom-up computational reorganization and judicious architectural modifications. The benefit to online inference is demonstrated by reformulating several widely used network architectures into CINs, including 3D CNNs, ST-GCNs, and Transformer Encoders. An orthogonal contribution tackles the concurrent adaptation and computational acceleration of a large source model into multiple lightweight derived models. Drawing on fusible adapter networks and structured pruning, Structured Pruning Adapters achieve superior predictive accuracy under aggressive pruning using significantly fewer learned weights compared to fine-tuning with pruning.

Feature selection is the problem of selecting a subset of features for a machine learning model that maximizes model quality subject to a budget constraint. For neural networks, prior methods, including those based on ell_1 regularization, attention, and other techniques, typically select the entire feature subset in one evaluation round, ignoring the residual value of features during selection, i.e., the marginal contribution of a feature given that other features have already been selected. We propose a feature selection algorithm called Sequential Attention that achieves state-of-the-art empirical results for neural networks. This algorithm is based on an efficient one-pass implementation of greedy forward selection and uses attention weights at each step as a proxy for feature importance. We give theoretical insights into our algorithm for linear regression by showing that an adaptation to this setting is equivalent to the classical Orthogonal Matching Pursuit (OMP) algorithm, and thus inherits all of its provable guarantees. Our theoretical and empirical analyses offer new explanations towards the effectiveness of attention and its connections to overparameterization, which may be of independent interest.

Inference, especially those derived from inductive processes, is a crucial component in our conversation to complement the information implicitly or explicitly conveyed by a speaker. While recent large language models show remarkable advances in inference tasks, their performance in inductive reasoning, where not all information is present in the context, is far behind deductive reasoning. In this paper, we analyze the behavior of the models based on the task difficulty defined by the semantic information gap -- which distinguishes inductive and deductive reasoning (Johnson-Laird, 1988, 1993). Our analysis reveals that the disparity in information between dialogue contexts and desired inferences poses a significant challenge to the inductive inference process. To mitigate this information gap, we investigate a contrastive learning approach by feeding negative samples. Our experiments suggest negative samples help models understand what is wrong and improve their inference generations.

Machine learning (ML) holds great potential for accurately forecasting treatment outcomes over time, which could ultimately enable the adoption of more individualized treatment strategies in many practical applications. However, a significant challenge that has been largely overlooked by the ML literature on this topic is the presence of informative sampling in observational data. When instances are observed irregularly over time, sampling times are typically not random, but rather informative -- depending on the instance's characteristics, past outcomes, and administered treatments. In this work, we formalize informative sampling as a covariate shift problem and show that it can prohibit accurate estimation of treatment outcomes if not properly accounted for. To overcome this challenge, we present a general framework for learning treatment outcomes in the presence of informative sampling using inverse intensity-weighting, and propose a novel method, TESAR-CDE, that instantiates this framework using Neural CDEs. Using a simulation environment based on a clinical use case, we demonstrate the effectiveness of our approach in learning under informative sampling.

We study preferential Bayesian optimization (BO) where reliable feedback is limited to pairwise comparison called duels. An important challenge in preferential BO, which uses the preferential Gaussian process (GP) model to represent flexible preference structure, is that the posterior distribution is a computationally intractable skew GP. The most widely used approach for preferential BO is Gaussian approximation, which ignores the skewness of the true posterior. Alternatively, Markov chain Monte Carlo (MCMC) based preferential BO is also proposed. In this work, we first verify the accuracy of Gaussian approximation, from which we reveal the critical problem that the predictive probability of duels can be inaccurate. This observation motivates us to improve the MCMC-based estimation for skew GP, for which we show the practical efficiency of Gibbs sampling and derive the low variance MC estimator. However, the computational time of MCMC can still be a bottleneck in practice. Towards building a more practical preferential BO, we develop a new method that achieves both high computational efficiency and low sample complexity, and then demonstrate its effectiveness through extensive numerical experiments.

Recently, long-thought reasoning models achieve strong performance on complex reasoning tasks, but often incur substantial inference overhead, making efficiency a critical concern. Our empirical analysis reveals that the benefit of using Long-CoT varies across problems: while some problems require elaborate reasoning, others show no improvement, or even degraded accuracy. This motivates adaptive reasoning strategies that tailor reasoning depth to the input. However, prior work primarily reduces redundancy within long reasoning paths, limiting exploration of more efficient strategies beyond the Long-CoT paradigm. To address this, we propose a novel two-stage framework for adaptive and efficient reasoning. First, we construct a hybrid reasoning model by merging long and short CoT models to enable diverse reasoning styles. Second, we apply bi-level preference training to guide the model to select suitable reasoning styles (group-level), and prefer concise and correct reasoning within each style group (instance-level). Experiments demonstrate that our method significantly reduces inference costs compared to other baseline approaches, while maintaining performance. Notably, on five mathematical datasets, the average length of reasoning is reduced by more than 50%, highlighting the potential of adaptive strategies to optimize reasoning efficiency in large language models. Our code is coming soon at https://github.com/StarDewXXX/AdaR1

Building upon our previous investigations of O1 replication (Part 1: Journey Learning [Qin et al., 2024] and Part 2: Distillation [Huang et al., 2024]), this work explores the potential of inference-time scaling in large language models (LLMs) for medical reasoning tasks, ranging from diagnostic decision-making to treatment planning. Through extensive experiments on medical benchmarks of varying complexity (MedQA, Medbullets, and JAMA Clinical Challenges), our investigation reveals several key insights: (1) Increasing inference time does lead to improved performance. With a modest training set of 500 samples, our model yields substantial performance improvements of 6%-11%. (2) Task complexity directly correlates with the required length of reasoning chains, confirming the necessity of extended thought processes for challenging problems. (3) The differential diagnoses generated by our model adhere to the principles of the hypothetico-deductive method, producing a list of potential conditions that may explain a patient's symptoms and systematically narrowing these possibilities by evaluating the evidence. These findings demonstrate the promising synergy between inference-time scaling and journey learning in advancing LLMs' real-world clinical reasoning capabilities.

Model selection is a strategy aimed at creating accurate and robust models. A key challenge in designing these algorithms is identifying the optimal model for classifying any particular input sample. This paper addresses this challenge and proposes a novel framework for differentiable model selection integrating machine learning and combinatorial optimization. The framework is tailored for ensemble learning, a strategy that combines the outputs of individually pre-trained models, and learns to select appropriate ensemble members for a particular input sample by transforming the ensemble learning task into a differentiable selection program trained end-to-end within the ensemble learning model. Tested on various tasks, the proposed framework demonstrates its versatility and effectiveness, outperforming conventional and advanced consensus rules across a variety of settings and learning tasks.