Daily Papers

What mechanisms underlie linguistic generalization in large language models (LLMs)? This question has attracted considerable attention, with most studies analyzing the extent to which the language skills of LLMs resemble rules. As of yet, it is not known whether linguistic generalization in LLMs could equally well be explained as the result of analogical processes, which can be formalized as similarity operations on stored exemplars. A key shortcoming of prior research is its focus on linguistic phenomena with a high degree of regularity, for which rule-based and analogical approaches make the same predictions. Here, we instead examine derivational morphology, specifically English adjective nominalization, which displays notable variability. We introduce a new method for investigating linguistic generalization in LLMs: focusing on GPT-J, we fit cognitive models that instantiate rule-based and analogical learning to the LLM training data and compare their predictions on a set of nonce adjectives with those of the LLM, allowing us to draw direct conclusions regarding underlying mechanisms. As expected, rule-based and analogical models explain the predictions of GPT-J equally well for adjectives with regular nominalization patterns. However, for adjectives with variable nominalization patterns, the analogical model provides a much better match. Furthermore, GPT-J's behavior is sensitive to the individual word frequencies, even for regular forms, a behavior that is consistent with an analogical account of regular forms but not a rule-based one. These findings refute the hypothesis that GPT-J's linguistic generalization on adjective nominalization involves rules, suggesting similarity operations on stored exemplars as the underlying mechanism. Overall, our study suggests that analogical processes play a bigger role in the linguistic generalization of LLMs than previously thought.

An industrial process includes many devices, variables, and sub-processes that are physically or electronically interconnected. These interconnections imply some level of correlation between different process variables. Since most of the alarms in a process plant are defined on process variables, alarms are also correlated. However, this can be a nuisance to operators, for one fault might trigger a, sometimes large, number of alarms. So, it is essential to find and correct correlated alarms. In this paper, we study different methods and techniques proposed to measure correlation or similarity between alarms. The similarity indices are first analytically calculated and then studied and compared. The results are also validated using Monte-Carlo simulation.

The derivation of mathematical results in specialised fields using Large Language Models (LLMs) is an emerging research direction that can help identify models' limitations, and potentially support mathematical discovery. In this paper, we leverage a symbolic engine to generate derivations of equations at scale, and investigate the capabilities of LLMs when deriving goal equations from premises. Specifically, we employ in-context learning for GPT and fine-tune a range of T5 models to compare the robustness and generalisation of pre-training strategies to specialised models. Empirical results show that fine-tuned FLAN-T5-large (MathT5) outperforms GPT models on all static and out-of-distribution test sets in terms of absolute performance. However, an in-depth analysis reveals that the fine-tuned models are more sensitive to perturbations involving unseen symbols and (to a lesser extent) changes to equation structure. In addition, we analyse 1.7K equations and over 200 derivations to highlight common reasoning errors such as the inclusion of incorrect, irrelevant, and redundant equations, along with the tendency to skip derivation steps. Finally, we explore the suitability of existing metrics for evaluating mathematical derivations finding evidence that, while they capture general properties such as sensitivity to perturbations, they fail to highlight fine-grained reasoning errors and essential differences between models. Overall, this work demonstrates that training models on synthetic data can improve their mathematical capabilities beyond larger architectures.

Boosting the runtime performance of deep neural networks (DNNs) is critical due to their wide adoption in real-world tasks. Existing approaches to optimizing the tensor algebra expression of a DNN only consider expressions representable by a fixed set of predefined operators, missing possible optimization opportunities between general expressions. We propose OLLIE, the first derivation-based tensor program optimizer. OLLIE optimizes tensor programs by leveraging transformations between general tensor algebra expressions, enabling a significantly larger expression search space that includes those supported by prior work as special cases. OLLIE uses a hybrid derivation-based optimizer that effectively combines explorative and guided derivations to quickly discover highly optimized expressions. Evaluation on seven DNNs shows that OLLIE can outperform existing optimizers by up to 2.73times (1.46times on average) on an A100 GPU and up to 2.68times (1.51times) on a V100 GPU, respectively.

Recent advancements in visualizing deep neural networks provide insights into their structures and mesh extraction from Continuous Piecewise Affine (CPWA) functions. Meanwhile, developments in neural surface representation learning incorporate non-linear positional encoding, addressing issues like spectral bias; however, this poses challenges in applying mesh extraction techniques based on CPWA functions. Focusing on trilinear interpolating methods as positional encoding, we present theoretical insights and an analytical mesh extraction, showing the transformation of hypersurfaces to flat planes within the trilinear region under the eikonal constraint. Moreover, we introduce a method for approximating intersecting points among three hypersurfaces contributing to broader applications. We empirically validate correctness and parsimony through chamfer distance and efficiency, and angular distance, while examining the correlation between the eikonal loss and the planarity of the hypersurfaces.

Constructing vivid 3D head avatars for given subjects and realizing a series of animations on them is valuable yet challenging. This paper presents GaussianHead, which models the actional human head with anisotropic 3D Gaussians. In our framework, a motion deformation field and multi-resolution tri-plane are constructed respectively to deal with the head's dynamic geometry and complex texture. Notably, we impose an exclusive derivation scheme on each Gaussian, which generates its multiple doppelgangers through a set of learnable parameters for position transformation. With this design, we can compactly and accurately encode the appearance information of Gaussians, even those fitting the head's particular components with sophisticated structures. In addition, an inherited derivation strategy for newly added Gaussians is adopted to facilitate training acceleration. Extensive experiments show that our method can produce high-fidelity renderings, outperforming state-of-the-art approaches in reconstruction, cross-identity reenactment, and novel view synthesis tasks. Our code is available at: https://github.com/chiehwangs/gaussian-head.

In 2000, Gillespie rehabilitated the chemical Langevin equation (CLE) by describing two conditions that must be satisfied for it yield a valid approximation of the chemical master equation (CME). In this work, we construct an original path integral description of the CME, and show how applying Gillespie's two conditions to it directly leads to a path integral equivalent to the CLE. We compare this approach to the path integral equivalent of a large system size derivation, and show that they are qualitatively different. In particular, both approaches involve converting many sums into many integrals, and the difference between the two methods is essentially the difference between using the Euler-Maclaurin formula and using Riemann sums. Our results shed light on how path integrals can be used to conceptualize coarse-graining biochemical systems, and are readily generalizable.

Neural network models of early sensory processing typically reduce the dimensionality of streaming input data. Such networks learn the principal subspace, in the sense of principal component analysis (PCA), by adjusting synaptic weights according to activity-dependent learning rules. When derived from a principled cost function these rules are nonlocal and hence biologically implausible. At the same time, biologically plausible local rules have been postulated rather than derived from a principled cost function. Here, to bridge this gap, we derive a biologically plausible network for subspace learning on streaming data by minimizing a principled cost function. In a departure from previous work, where cost was quantified by the representation, or reconstruction, error, we adopt a multidimensional scaling (MDS) cost function for streaming data. The resulting algorithm relies only on biologically plausible Hebbian and anti-Hebbian local learning rules. In a stochastic setting, synaptic weights converge to a stationary state which projects the input data onto the principal subspace. If the data are generated by a nonstationary distribution, the network can track the principal subspace. Thus, our result makes a step towards an algorithmic theory of neural computation.

Several recent trends in machine learning theory and practice, from the design of state-of-the-art Gaussian Process to the convergence analysis of deep neural nets (DNNs) under stochastic gradient descent (SGD), have found it fruitful to study wide random neural networks. Central to these approaches are certain scaling limits of such networks. We unify these results by introducing a notion of a straightline tensor program that can express most neural network computations, and we characterize its scaling limit when its tensors are large and randomized. From our framework follows (1) the convergence of random neural networks to Gaussian processes for architectures such as recurrent neural networks, convolutional neural networks, residual networks, attention, and any combination thereof, with or without batch normalization; (2) conditions under which the gradient independence assumption -- that weights in backpropagation can be assumed to be independent from weights in the forward pass -- leads to correct computation of gradient dynamics, and corrections when it does not; (3) the convergence of the Neural Tangent Kernel, a recently proposed kernel used to predict training dynamics of neural networks under gradient descent, at initialization for all architectures in (1) without batch normalization. Mathematically, our framework is general enough to rederive classical random matrix results such as the semicircle and the Marchenko-Pastur laws, as well as recent results in neural network Jacobian singular values. We hope our work opens a way toward design of even stronger Gaussian Processes, initialization schemes to avoid gradient explosion/vanishing, and deeper understanding of SGD dynamics in modern architectures.

This paper aims to overcome a major obstacle in scaling RL for reasoning with LLMs, namely the collapse of policy entropy. Such phenomenon is consistently observed across vast RL runs without entropy intervention, where the policy entropy dropped sharply at the early training stage, this diminished exploratory ability is always accompanied with the saturation of policy performance. In practice, we establish a transformation equation R=-a*e^H+b between entropy H and downstream performance R. This empirical law strongly indicates that, the policy performance is traded from policy entropy, thus bottlenecked by its exhaustion, and the ceiling is fully predictable H=0, R=-a+b. Our finding necessitates entropy management for continuous exploration toward scaling compute for RL. To this end, we investigate entropy dynamics both theoretically and empirically. Our derivation highlights that, the change in policy entropy is driven by the covariance between action probability and the change in logits, which is proportional to its advantage when using Policy Gradient-like algorithms. Empirical study shows that, the values of covariance term and entropy differences matched exactly, supporting the theoretical conclusion. Moreover, the covariance term stays mostly positive throughout training, further explaining why policy entropy would decrease monotonically. Through understanding the mechanism behind entropy dynamics, we motivate to control entropy by restricting the update of high-covariance tokens. Specifically, we propose two simple yet effective techniques, namely Clip-Cov and KL-Cov, which clip and apply KL penalty to tokens with high covariances respectively. Experiments show that these methods encourage exploration, thus helping policy escape entropy collapse and achieve better downstream performance.

Schema-guided reasoning pipelines ask LLMs to produce explicit intermediate structures -- rubrics, checklists, verification queries -- before committing to a final decision. But do these structures causally determine the output, or merely accompany it? We introduce a causal evaluation protocol that makes this directly measurable: by selecting tasks where a deterministic function maps intermediate structures to decisions, every controlled edit implies a unique correct output. Across eight models and three benchmarks, models appear self-consistent with their own intermediate structures but fail to update predictions after intervention in up to 60% of cases -- revealing that apparent faithfulness is fragile once the intermediate structure changes. When derivation of the final decision from the structure is delegated to an external tool, this fragility largely disappears; however, prompts which ask to prioritize the intermediate structure over the original input do not materially close the gap. Overall, intermediate structures in schema-guided pipelines function as influential context rather than stable causal mediators.

In studies of transferable learning, scaling laws are obtained for various important foundation models to predict their properties and performance at larger scales. We show here how scaling law derivation can also be used for model and dataset comparison, allowing to decide which procedure is to be preferred for pre-training. For the first time, full scaling laws based on dense measurements across a wide span of model and samples seen scales are derived for two important language-vision learning procedures, CLIP and MaMMUT, that use either contrastive only or contrastive and captioning text generative loss. Ensuring sufficient prediction accuracy for held out points, we use derived scaling laws to compare both models, obtaining evidence for MaMMUT's stronger improvement with scale and better sample efficiency than standard CLIP. To strengthen validity of the comparison, we show scaling laws for various downstream tasks, classification, retrieval, and segmentation, and for different open datasets, DataComp, DFN and Re-LAION, observing consistently the same trends. We show that comparison can also be performed when deriving scaling laws with a constant learning rate schedule, reducing compute cost. Accurate derivation of scaling laws provides thus means to perform model and dataset comparison across scale spans, avoiding misleading conclusions based on measurements from single reference scales only, paving the road for systematic comparison and improvement of open foundation models and datasets for their creation. We release all the pre-trained models with their intermediate checkpoints, including openMaMMUT-L/14, which achieves 80.3% zero-shot ImageNet-1k accuracy, trained on 12.8B samples from DataComp-1.4B. Code for reproducing experiments in the paper and raw experiments data can be found at https://github.com/LAION-AI/scaling-laws-for-comparison.

Reinforcement Learning From Human Feedback (RLHF) has been a critical to the success of the latest generation of generative AI models. In response to the complex nature of the classical RLHF pipeline, direct alignment algorithms such as Direct Preference Optimization (DPO) have emerged as an alternative approach. Although DPO solves the same objective as the standard RLHF setup, there is a mismatch between the two approaches. Standard RLHF deploys reinforcement learning in a specific token-level MDP, while DPO is derived as a bandit problem in which the whole response of the model is treated as a single arm. In this work we rectify this difference, first we theoretically show that we can derive DPO in the token-level MDP as a general inverse Q-learning algorithm, which satisfies the Bellman equation. Using our theoretical results, we provide three concrete empirical insights. First, we show that because of its token level interpretation, DPO is able to perform some type of credit assignment. Next, we prove that under the token level formulation, classical search-based algorithms, such as MCTS, which have recently been applied to the language generation space, are equivalent to likelihood-based search on a DPO policy. Empirically we show that a simple beam search yields meaningful improvement over the base DPO policy. Finally, we show how the choice of reference policy causes implicit rewards to decline during training. We conclude by discussing applications of our work, including information elicitation in multi-tun dialogue, reasoning, agentic applications and end-to-end training of multi-model systems.

We present a SemiEmpirical Theory of Learning (SETOL) that explains the remarkable performance of State-Of-The-Art (SOTA) Neural Networks (NNs). We provide a formal explanation of the origin of the fundamental quantities in the phenomenological theory of Heavy-Tailed Self-Regularization (HTSR): the heavy-tailed power-law layer quality metrics, alpha and alpha-hat. In prior work, these metrics have been shown to predict trends in the test accuracies of pretrained SOTA NN models, importantly, without needing access to either testing or training data. Our SETOL uses techniques from statistical mechanics as well as advanced methods from random matrix theory and quantum chemistry. The derivation suggests new mathematical preconditions for ideal learning, including a new metric, ERG, which is equivalent to applying a single step of the Wilson Exact Renormalization Group. We test the assumptions and predictions of SETOL on a simple 3-layer multilayer perceptron (MLP), demonstrating excellent agreement with the key theoretical assumptions. For SOTA NN models, we show how to estimate the individual layer qualities of a trained NN by simply computing the empirical spectral density (ESD) of the layer weight matrices and plugging this ESD into our SETOL formulas. Notably, we examine the performance of the HTSR alpha and the SETOL ERG layer quality metrics, and find that they align remarkably well, both on our MLP and on SOTA NNs.

We review Bohr's atomic model and its extension by Sommerfeld from a mathematical perspective of wave mechanics. The derivation of quantization rules and energy levels is revisited using semiclassical methods. Sommerfeld-type integrals are evaluated by elementary techniques, and connections with the Schr\"{o}dinger and Dirac equations are established. Historical developments and key transitions from classical to quantum theory are discussed to clarify the structure and significance of the old quantum mechanics.

Graphical User Interface (GUI) datasets are crucial for various downstream tasks. However, GUI datasets often generate annotation information through automatic labeling, which commonly results in inaccurate GUI element BBox annotations, including missing, duplicate, or meaningless BBoxes. These issues can degrade the performance of models trained on these datasets, limiting their effectiveness in real-world applications. Additionally, existing GUI datasets only provide BBox annotations visually, which restricts the development of visually related GUI downstream tasks. To address these issues, we introduce PixelWeb, a large-scale GUI dataset containing over 100,000 annotated web pages. PixelWeb is constructed using a novel automatic annotation approach that integrates visual feature extraction and Document Object Model (DOM) structure analysis through two core modules: channel derivation and layer analysis. Channel derivation ensures accurate localization of GUI elements in cases of occlusion and overlapping elements by extracting BGRA four-channel bitmap annotations. Layer analysis uses the DOM to determine the visibility and stacking order of elements, providing precise BBox annotations. Additionally, PixelWeb includes comprehensive metadata such as element images, contours, and mask annotations. Manual verification by three independent annotators confirms the high quality and accuracy of PixelWeb annotations. Experimental results on GUI element detection tasks show that PixelWeb achieves performance on the mAP95 metric that is 3-7 times better than existing datasets. We believe that PixelWeb has great potential for performance improvement in downstream tasks such as GUI generation and automated user interaction.

Text-to-image models encounter safety issues, including concerns related to copyright and Not-Safe-For-Work (NSFW) content. Despite several methods have been proposed for erasing inappropriate concepts from diffusion models, they often exhibit incomplete erasure, consume a lot of computing resources, and inadvertently damage generation ability. In this work, we introduce Reliable and Efficient Concept Erasure (RECE), a novel approach that modifies the model in 3 seconds without necessitating additional fine-tuning. Specifically, RECE efficiently leverages a closed-form solution to derive new target embeddings, which are capable of regenerating erased concepts within the unlearned model. To mitigate inappropriate content potentially represented by derived embeddings, RECE further aligns them with harmless concepts in cross-attention layers. The derivation and erasure of new representation embeddings are conducted iteratively to achieve a thorough erasure of inappropriate concepts. Besides, to preserve the model's generation ability, RECE introduces an additional regularization term during the derivation process, resulting in minimizing the impact on unrelated concepts during the erasure process. All the processes above are in closed-form, guaranteeing extremely efficient erasure in only 3 seconds. Benchmarking against previous approaches, our method achieves more efficient and thorough erasure with minor damage to original generation ability and demonstrates enhanced robustness against red-teaming tools. Code is available at https://github.com/CharlesGong12/RECE.

Assurance cases can be used to argue for the safety of products in safety engineering. In safety-critical areas, the construction of assurance cases is indispensable. Trustworthiness Derivation Trees (TDTs) enhance assurance cases by incorporating formal methods, rendering it possible for automatic reasoning about assurance cases. We present Trustworthiness Derivation Tree Analyzer (Trusta), a desktop application designed to automatically construct and verify TDTs. The tool has a built-in Prolog interpreter in its backend, and is supported by the constraint solvers Z3 and MONA. Therefore, it can solve constraints about logical formulas involving arithmetic, sets, Horn clauses etc. Trusta also utilizes large language models to make the creation and evaluation of assurance cases more convenient. It allows for interactive human examination and modification. We evaluated top language models like ChatGPT-3.5, ChatGPT-4, and PaLM 2 for generating assurance cases. Our tests showed a 50%-80% similarity between machine-generated and human-created cases. In addition, Trusta can extract formal constraints from text in natural languages, facilitating an easier interpretation and validation process. This extraction is subject to human review and correction, blending the best of automated efficiency with human insight. To our knowledge, this marks the first integration of large language models in automatic creating and reasoning about assurance cases, bringing a novel approach to a traditional challenge. Through several industrial case studies, Trusta has proven to quickly find some subtle issues that are typically missed in manual inspection, demonstrating its practical value in enhancing the assurance case development process.

The derivation of ultimate limits to communication over certain quantum repeater networks have provided extremely valuable benchmarks for assessing near-term quantum communication protocols. However, these bounds are usually derived in the limit of ideal devices and leave questions about the performance of practical implementations unanswered. To address this challenge, we quantify how the presence of loss in repeater stations affect the maximum attainable rates for quantum communication over linear repeater chains and more complex quantum networks. Extending the framework of node splitting, we model the loss introduced at the repeater stations and then prove the corresponding limits. In the linear chain scenario we show that, by increasing the number of repeater stations, the maximum rate cannot overcome a quantity which solely depends on the loss of a single station. We introduce a way of adapting the standard machinery for obtaining bounds to this realistic scenario. The difference is that whilst ultimate limits for any strategy can be derived given a fixed channel, when the repeaters introduce additional decoherence, then the effective overall channel is itself a function of the chosen repeater strategy (e.g., one-way versus two-way classical communication). Classes of repeater strategies can be analysed using additional modelling and the subsequent bounds can be interpreted as the optimal rate within that class.

Local Differential Privacy (LDP) offers strong privacy protection, especially in settings in which the server collecting the data is untrusted. However, designing LDP mechanisms that achieve an optimal trade-off between privacy, utility, and robustness to adversarial inference attacks remains challenging. In this work, we introduce a general multi-objective optimization framework for refining LDP protocols, enabling the joint optimization of privacy and utility under various adversarial settings. While our framework is flexible enough to accommodate multiple privacy and security attacks as well as utility metrics, in this paper we specifically optimize for Attacker Success Rate (ASR) under distinguishability attack as a measure of privacy and Mean Squared Error (MSE) as a measure of utility. We systematically revisit these trade-offs by analyzing eight state-of-the-art LDP protocols and proposing refined counterparts that leverage tailored optimization techniques. Experimental results demonstrate that our proposed adaptive mechanisms consistently outperform their non-adaptive counterparts, reducing ASR by up to five orders of magnitude while maintaining competitive utility. Analytical derivations also confirm the effectiveness of our mechanisms, moving them closer to the ASR-MSE Pareto frontier.

Completely randomized experiments, originally developed by Fisher and Neyman in the 1930s, are still widely used in practice, even in online experimentation. However, such designs are of limited value for answering standard questions in marketplaces, where multiple populations of agents interact strategically, leading to complex patterns of spillover effects. In this paper, we derive the finite-sample properties of tractable estimators for "Simple Multiple Randomization Designs" (SMRDs), a new class of experimental designs which account for complex spillover effects in randomized experiments. Our derivations are obtained under a natural and general form of cross-unit interference, which we call "local interference". We discuss the estimation of main effects, direct effects, and spillovers, and present associated central limit theorems.

The polarization of an X-ray beam that produces electrons with velocity components perpendicular to the beam generates an azimuthal distribution of the ejected electrons. We present methods for simulating and for analyzing the angular dependence of electron detections which enable us to derive simple analytical expressions for useful statistical properties of observable data. The derivations are verified by simulations. While we confirm the results of previous work on this topic, we provide an extension needed for analytical treatment of the full range of possible polarization amplitudes.

Entropy serves as a critical metric for measuring the diversity of outputs generated by large language models (LLMs), providing valuable insights into their exploration capabilities. While recent studies increasingly focus on monitoring and adjusting entropy to better balance exploration and exploitation in reinforcement fine-tuning (RFT), a principled understanding of entropy dynamics during this process is yet to be thoroughly investigated. In this paper, we establish a theoretical framework for analyzing the entropy dynamics during the RFT process, which begins with a discriminant expression that quantifies entropy change under a single logit update. This foundation enables the derivation of a first-order expression for entropy change, which can be further extended to the update formula of Group Relative Policy Optimization (GRPO). The corollaries and insights drawn from the theoretical analysis inspire the design of entropy control methods, and also offer a unified lens for interpreting various entropy-based methods in existing studies. We provide empirical evidence to support the main conclusions of our analysis and demonstrate the effectiveness of the derived entropy-discriminator clipping methods. This study yields novel insights into RFT training dynamics, providing theoretical support and practical strategies for optimizing the exploration-exploitation balance during LLM fine-tuning.

Agentic coding requires agents to effectively interact with runtime environments, e.g., command line interfaces (CLI), so as to complete tasks like resolving dependency issues, fixing system problems, etc. But it remains underexplored how such environment-intensive tasks can be obtained at scale to enhance agents' capabilities. To address this, based on an analogy between the Dockerfile and the agentic task, we propose to employ agents to simulate and explore environment histories, guided by execution feedback. By tracing histories of a healthy environment, its state can be inverted to an earlier one with runtime failures, from which a task can be derived by packing the buggy state and the corresponding error messages. With our method, named CLI-Gym, a total of 1,655 environment-intensive tasks are derived, being the largest collection of its kind. Moreover, with curated successful trajectories, our fine-tuned model, named LiberCoder, achieves substantial absolute improvements of +21.1% (to 46.1%) on Terminal-Bench, outperforming various strong baselines. To our knowledge, this is the first public pipeline for scalable derivation of environment-intensive tasks.

Typical post-training paradigms for Large Vision-and-Language Models (LVLMs) include Supervised Fine-Tuning (SFT) and Reinforcement Learning with Verifiable Rewards (RLVR). SFT leverages external guidance to inject new knowledge, whereas RLVR utilizes internal reinforcement to enhance reasoning capabilities and overall performance. However, our analysis reveals that SFT often leads to sub-optimal performance, while RLVR struggles with tasks that exceed the model's internal knowledge base. To address these limitations, we propose ViSurf (Visual Supervised-and-Reinforcement Fine-Tuning), a unified post-training paradigm that integrates the strengths of both SFT and RLVR within a single stage. We analyze the derivation of the SFT and RLVR objectives to establish the ViSurf objective, providing a unified perspective on these two paradigms. The core of ViSurf involves injecting ground-truth labels into the RLVR rollouts, thereby providing simultaneous external supervision and internal reinforcement. Furthermore, we introduce three novel reward control strategies to stabilize and optimize the training process. Extensive experiments across several diverse benchmarks demonstrate the effectiveness of ViSurf, outperforming both individual SFT, RLVR, and two-stage SFT \textrightarrow RLVR. In-depth analysis corroborates these findings, validating the derivation and design principles of ViSurf.

Post-training processes are essential phases in grounding pre-trained language models to real-world tasks, with learning from demonstrations or preference signals playing a crucial role in this adaptation. We present a unified theoretical framework bridging Supervised Fine-Tuning (SFT) and preference learning in Large Language Model (LLM) post-training. Through rigorous mathematical derivation, we demonstrate that both SFT and preference learning methods like Direct Preference Optimization (DPO) operate within the same optimal policy-reward subspace, with SFT representing a special case of implicit reward learning. Our analysis reveals a critical limitation in conventional SFT: the KL divergence term in distribution matching becomes constant with respect to the policy during optimization, failing to constrain model updates. To address this, we propose a simple yet effective learning rate reduction approach that yields significant performance improvements (up to 25\% relative gain and 6\% absolute win rate increase in instruction following tasks. Additionally, we derive alternative SFT objectives from various f-divergence functions that preserve the KL term during optimization, further enhancing post-DPO model performance. Finally, we extend the theoretical relationship between LLM logits and Q-functions from preference learning to the SFT context, providing mathematical derivations and experimental validation.

Aligning large language models (LLMs) with human values and safety constraints is challenging, especially when objectives like helpfulness, truthfulness, and avoidance of harm conflict. Reinforcement Learning from Human Feedback (RLHF) has achieved notable success in steering models, but is complex and can be unstable. Recent approaches such as Direct Preference Optimization (DPO) simplify preference-based fine-tuning but may introduce bias or trade-off certain objectives~dpo. In this work, we propose a Group Relative Policy Optimization (GRPO) framework with a multi-label reward regression model to achieve safe and aligned language generation. The GRPO algorithm optimizes a policy by comparing groups of sampled responses, eliminating the need for a separate value critic and improving training efficiency~grpo. We train a reward model to predict multiple alignment scores (e.g., safety, helpfulness, etc.), which are combined into a single reward signal. We provide a theoretical derivation for using this learned multi-aspect reward within GRPO and discuss its advantages and limitations. Empirically, our approach improves all the safety and quality metrics evaluated in language generation tasks on model scales (0.5B, 7B, and 14B parameters), demonstrating a robust balance of objectives. We compare GRPO to PPO-based RLHF and DPO, highlighting that GRPO achieves alignment with significantly lower computational cost and explicit multi-objective handling. \textbf{We will open-source all trained models at https://huggingface.co/hydroxai.

Scaling model size and training data has led to great advances in the performance of Large Language Models (LLMs). However, the diminishing returns of this approach necessitate alternative methods to improve model capabilities, particularly in tasks requiring advanced reasoning. Large reasoning models, which leverage long chain-of-thoughts, bring unprecedented breakthroughs in problem-solving capabilities but at a substantial deployment cost associated to longer generations. Reducing inference costs is crucial for the economic feasibility, user experience, and environmental sustainability of these models. In this work, we propose to train large reasoning models to reason efficiently. More precisely, we use reinforcement learning (RL) to train reasoning models to dynamically allocate inference-time compute based on task complexity. Our method incentivizes models to minimize unnecessary computational overhead while maintaining accuracy, thereby achieving substantial efficiency gains. It enables the derivation of a family of reasoning models with varying efficiency levels, controlled via a single hyperparameter. Experiments on two open-weight large reasoning models demonstrate significant reductions in inference cost while preserving most of the accuracy.

This paper studies a machine learning regression problem as a multivariate approximation problem using the framework of the theory of random functions. An ab initio derivation of a regression method is proposed, starting from postulates of indifference. It is shown that if a probability measure on an infinite-dimensional function space possesses natural symmetries (invariance under translation, rotation, scaling, and Gaussianity), then the entire solution scheme, including the kernel form, the type of regularization, and the noise parameterization, follows analytically from these postulates. The resulting kernel coincides with a generalized polyharmonic spline; however, unlike existing approaches, it is not chosen empirically but arises as a consequence of the indifference principle. This result provides a theoretical foundation for a broad class of smoothing and interpolation methods, demonstrating their optimality in the absence of a priori information.

We propose affine concept editing (ACE) as an approach for steering language models' behavior by intervening directly in activations. We begin with an affine decomposition of model activation vectors and show that prior methods for steering model behavior correspond to subsets of terms of this decomposition. We then provide a derivation of ACE and use it to control refusal behavior on ten different models, including Llama 3 70B. ACE combines affine subspace projection and activation addition to reliably control the model's refusal responses across prompt types. We evaluate the results using LLM-based scoring on a collection of harmful and harmless prompts. Our experiments demonstrate that ACE consistently achieves more precise control over model behavior than existing methods and generalizes to models where directional ablation via affine subspace projection alone produces incoherent outputs. Code for reproducing our results is available at https://github.com/EleutherAI/steering-llama3 .

This paper concerns the derivation of radiative transfer equations for acoustic waves propagating in a randomly fluctuating slab (between two parallel planes) in the weak-scattering regime, and the study of boundary effects through an asymptotic analysis of the Wigner transform of the wave solution. These radiative transfer equations allow to model the transport of wave energy density, taking into account the scattering by random heterogeneities. The approach builds on the method of images, where the slab is extended to a full-space, with a periodic map of mechanical properties and a series of sources located along a periodic pattern. Two types of boundary effects, both on the (small) scale of the wavelength, are observed: one at the boundaries of the slab, and one inside the domain. The former impact the entire energy density (coherent as well as incoherent) and is also observed in half-spaces. The latter, more specific to slabs, corresponds to the constructive interference of waves that have reflected at least twice on the boundaries of the slab and only impacts the coherent part of the energy density.

Over the last decade, Convolutional Neural Network (CNN) models have been highly successful in solving complex vision problems. However, these deep models are perceived as "black box" methods considering the lack of understanding of their internal functioning. There has been a significant recent interest in developing explainable deep learning models, and this paper is an effort in this direction. Building on a recently proposed method called Grad-CAM, we propose a generalized method called Grad-CAM++ that can provide better visual explanations of CNN model predictions, in terms of better object localization as well as explaining occurrences of multiple object instances in a single image, when compared to state-of-the-art. We provide a mathematical derivation for the proposed method, which uses a weighted combination of the positive partial derivatives of the last convolutional layer feature maps with respect to a specific class score as weights to generate a visual explanation for the corresponding class label. Our extensive experiments and evaluations, both subjective and objective, on standard datasets showed that Grad-CAM++ provides promising human-interpretable visual explanations for a given CNN architecture across multiple tasks including classification, image caption generation and 3D action recognition; as well as in new settings such as knowledge distillation.

This paper investigates the performance of network non-orthogonal multiple access (N-NOMA) in a downlink coordinated multi-point (CoMP) system. In the considered N-NOMA scheme, multiple base stations (BSs) cooperatively serve a CoMP user, meanwhile, each BS serves additional NOMA users by occupying the same resource block allocated to the CoMP user. The locations of the BSs and users are modeled by stochastic geometric models and the interference from the whole network is considered. Through rigorous derivations, the outage probabilities achieved by the CoMP and NOMA users are obtained, respectively. Numerical results are provided to verify the accuracy of the analytical results and also demonstrate the superior performance of N-NOMA compared to orthogonal multiple access (OMA) based CoMP scheme.

This paper introduces an end-to-end residual network that operates entirely on the Poincar\'e ball model of hyperbolic space. Hyperbolic learning has recently shown great potential for visual understanding, but is currently only performed in the penultimate layer(s) of deep networks. All visual representations are still learned through standard Euclidean networks. In this paper we investigate how to learn hyperbolic representations of visual data directly from the pixel-level. We propose Poincar\'e ResNet, a hyperbolic counterpart of the celebrated residual network, starting from Poincar\'e 2D convolutions up to Poincar\'e residual connections. We identify three roadblocks for training convolutional networks entirely in hyperbolic space and propose a solution for each: (i) Current hyperbolic network initializations collapse to the origin, limiting their applicability in deeper networks. We provide an identity-based initialization that preserves norms over many layers. (ii) Residual networks rely heavily on batch normalization, which comes with expensive Fr\'echet mean calculations in hyperbolic space. We introduce Poincar\'e midpoint batch normalization as a faster and equally effective alternative. (iii) Due to the many intermediate operations in Poincar\'e layers, we lastly find that the computation graphs of deep learning libraries blow up, limiting our ability to train on deep hyperbolic networks. We provide manual backward derivations of core hyperbolic operations to maintain manageable computation graphs.

Spherical equivariant graph neural networks (EGNNs) provide a principled framework for learning on three-dimensional molecular and biomolecular systems, where predictions must respect the rotational symmetries inherent in physics. These models extend traditional message-passing GNNs and Transformers by representing node and edge features as spherical tensors that transform under irreducible representations of the rotation group SO(3), ensuring that predictions change in physically meaningful ways under rotations of the input. This guide develops a complete, intuitive foundation for spherical equivariant modeling - from group representations and spherical harmonics, to tensor products, Clebsch-Gordan decomposition, and the construction of SO(3)-equivariant kernels. Building on this foundation, we construct the Tensor Field Network and SE(3)-Transformer architectures and explain how they perform equivariant message-passing and attention on geometric graphs. Through clear mathematical derivations and annotated code excerpts, this guide serves as a self-contained introduction for researchers and learners seeking to understand or implement spherical EGNNs for applications in chemistry, molecular property prediction, protein structure modeling, and generative modeling.

Non-linear activation functions are crucial in Convolutional Neural Networks. However, until now they have not been well described in the frequency domain. In this work, we study the spectral behavior of ReLU, a popular activation function. We use the ReLU's Taylor expansion to derive its frequency domain behavior. We demonstrate that ReLU introduces higher frequency oscillations in the signal and a constant DC component. Furthermore, we investigate the importance of this DC component, where we demonstrate that it helps the model extract meaningful features related to the input frequency content. We accompany our theoretical derivations with experiments and real-world examples. First, we numerically validate our frequency response model. Then we observe ReLU's spectral behavior on two example models and a real-world one. Finally, we experimentally investigate the role of the DC component introduced by ReLU in the CNN's representations. Our results indicate that the DC helps to converge to a weight configuration that is close to the initial random weights.

Predictive multiplicity refers to the phenomenon in which classification tasks may admit multiple competing models that achieve almost-equally-optimal performance, yet generate conflicting outputs for individual samples. This presents significant concerns, as it can potentially result in systemic exclusion, inexplicable discrimination, and unfairness in practical applications. Measuring and mitigating predictive multiplicity, however, is computationally challenging due to the need to explore all such almost-equally-optimal models, known as the Rashomon set, in potentially huge hypothesis spaces. To address this challenge, we propose a novel framework that utilizes dropout techniques for exploring models in the Rashomon set. We provide rigorous theoretical derivations to connect the dropout parameters to properties of the Rashomon set, and empirically evaluate our framework through extensive experimentation. Numerical results show that our technique consistently outperforms baselines in terms of the effectiveness of predictive multiplicity metric estimation, with runtime speedup up to 20times sim 5000times. With efficient Rashomon set exploration and metric estimation, mitigation of predictive multiplicity is then achieved through dropout ensemble and model selection.

Existing Score-Based Models (SBMs) can be categorized into constrained SBMs (CSBMs) or unconstrained SBMs (USBMs) according to their parameterization approaches. CSBMs model probability density functions as Boltzmann distributions, and assign their predictions as the negative gradients of some scalar-valued energy functions. On the other hand, USBMs employ flexible architectures capable of directly estimating scores without the need to explicitly model energy functions. In this paper, we demonstrate that the architectural constraints of CSBMs may limit their modeling ability. In addition, we show that USBMs' inability to preserve the property of conservativeness may lead to degraded performance in practice. To address the above issues, we propose Quasi-Conservative Score-Based Models (QCSBMs) for keeping the advantages of both CSBMs and USBMs. Our theoretical derivations demonstrate that the training objective of QCSBMs can be efficiently integrated into the training processes by leveraging the Hutchinson's trace estimator. In addition, our experimental results on the CIFAR-10, CIFAR-100, ImageNet, and SVHN datasets validate the effectiveness of QCSBMs. Finally, we justify the advantage of QCSBMs using an example of a one-layered autoencoder.

Reinforcement learning with verifiable rewards (RLVR), which typically adopts Pass@1 as the reward, has faced the issues in balancing exploration and exploitation, causing policies to prefer conservative actions, converging to a local optimum. Identifying an appropriate reward metric is therefore crucial. Regarding the prior work, although Pass@k has been used in evaluation, its connection to LLM exploration ability in RLVR remains largely overlooked. To investigate this, we first use Pass@k as the reward to train the policy model (i.e., Pass@k Training), and observe the improvement on its exploration ability. Next, we derive an analytical solution for the advantage of Pass@k Training, leading to an efficient and effective process. Building on this, our analysis reveals that exploration and exploitation are not inherently conflicting objectives, while they can mutually enhance each other. Moreover, Pass@k Training with analytical derivation essentially involves directly designing the advantage function. Inspired by this, we preliminarily explore the advantage design for RLVR, showing promising results and highlighting a potential future direction.

The Muon optimizer has received considerable attention for its strong performance in training large language models, yet the design principle behind its matrix-gradient orthogonalization remains largely elusive. In this paper, we introduce a surrogate model that not only sheds new light on the design of Muon, but more importantly leads to a new optimizer. In the same spirit as the derivation of Newton's method, the surrogate approximates the loss as a quadratic function of the perturbation to a weight matrix W using only three matrices: the gradient G, an output-space curvature matrix H, and the data matrix Z that stacks the layer inputs. By minimizing this surrogate in one step and adopting a certain isotropic assumption on the weights, we obtain the closed-form update rule (up to momentum and weight decay) W leftarrow W - ηcdot msgn(G(ZZ^top)^{-1}), where η is the learning rate and msgn(X)=UV^top if X=USV^top is a compact singular value decomposition. This new optimization method, which we refer to as Newton-Muon, shows that standard Muon can be interpreted as an implicit Newton-type method that neglects the right preconditioning induced by the input second moment. Empirically, on a reproduction of the earliest publicly released Modded-NanoGPT speedrun configuration using Muon for GPT-2 pretraining, Newton-Muon reaches the target validation loss in 6\% fewer iteration steps and reduces wall-clock training time by about 4\%.

Studies of density matrices for random quantum states lead naturally to the fixed trace Laguerre ensemble in random matrix theory. Previous studies have uncovered explicit rational function formulas for moments of purity statistic (trace of the squared density matrix), and also a third order linear differential equation satisfied by the eigenvalue density. We further probe the origin of these results from the viewpoint of integrability, which is taken here to mean wider classes of recursions and differential equations, and give extensions. Prominent in our study are first order linear matrix differential equations. One application given is to the derivation of the third order scalar equation for the density. Another is to obtain the explicit rational function formula for the variance of the purity statistic in the β generalised fixed trace Laguerre ensemble. In the original case (β= 2), the purity cumulants are expressed in terms of the large argument expansion of a particular σ-Painlevé IV transcendent. In a different but related direction, the exact computation of the two-point correlation for the fixed determinant circular unitary ensemble SU(N) is given the Appendix.

We propose Monte Carlo Permutation Search (MCPS), a general-purpose Monte Carlo Tree Search (MCTS) algorithm that improves upon the GRAVE algorithm. MCPS is relevant when deep reinforcement learning is not an option, or when the computing power available before play is not substantial, such as in General Game Playing, for example. The principle of MCPS is to include in the exploration term of a node the statistics on all the playouts that contain all the moves on the path from the root to the node. We extensively test MCPS on a variety of games: board games, wargame, investment game, video game and multi-player games. MCPS has better results than GRAVE in all the two-player games. It has equivalent results for multi-player games because these games are inherently balanced even when players have different strengths. We also show that using abstract codes for moves instead of exact codes can be beneficial to both MCPS and GRAVE, as they improve the permutation statistics and the AMAF statistics. We also provide a mathematical derivation of the formulas used for weighting the three sources of statistics. These formulas are an improvement on the GRAVE formula since they no longer use the bias hyperparameter of GRAVE. Moreover, MCPS is not sensitive to the ref hyperparameter.

Large reasoning models (LRMs) have exhibited the capacity of enhancing reasoning performance via internal test-time scaling. Building upon this, a promising direction is to further scale test-time compute to unlock even greater reasoning capabilities. However, as we push these scaling boundaries, systematically understanding the practical limits and achieving optimal resource allocation becomes a critical challenge. In this paper, we investigate the scaling Pareto of test-time scaling and introduce the Test-Time Scaling Performance Model (TTSPM). We theoretically analyze two fundamental paradigms for such extended scaling, parallel scaling and sequential scaling, from a probabilistic modeling perspective. Our primary contribution is the derivation of the saturation point on the scaling budget for both strategies, identifying thresholds beyond which additional computation yields diminishing returns. Remarkably, despite their distinct mechanisms, both paradigms converge to a unified mathematical structure in their upper bounds. We empirically validate our theoretical findings on challenging reasoning benchmarks, including AIME, MATH-500, and GPQA, demonstrating the practical utility of these bounds for test-time resource allocation. We hope that this work provides insights into the cost-benefit trade-offs of test-time scaling, guiding the development of more resource-efficient inference strategies for large reasoning models.

Low-rank Matrix Completion (LRMC) describes the problem where we wish to recover missing entries of partially observed low-rank matrix. Most existing matrix completion work deals with sampling procedures that are independent of the underlying data values. While this assumption allows the derivation of nice theoretical guarantees, it seldom holds in real-world applications. In this paper, we consider various settings where the sampling mask is dependent on the underlying data values, motivated by applications in sensing, sequential decision-making, and recommender systems. Through a series of experiments, we study and compare the performance of various LRMC algorithms that were originally successful for data-independent sampling patterns.

Representations learned via self-supervised learning (SSL) can be susceptible to dimensional collapse, where the learned representation subspace is of extremely low dimensionality and thus fails to represent the full data distribution and modalities. Dimensional collapse also known as the "underfilling" phenomenon is one of the major causes of degraded performance on downstream tasks. Previous work has investigated the dimensional collapse problem of SSL at a global level. In this paper, we demonstrate that representations can span over high dimensional space globally, but collapse locally. To address this, we propose a method called local dimensionality regularization (LDReg). Our formulation is based on the derivation of the Fisher-Rao metric to compare and optimize local distance distributions at an asymptotically small radius for each data point. By increasing the local intrinsic dimensionality, we demonstrate through a range of experiments that LDReg improves the representation quality of SSL. The results also show that LDReg can regularize dimensionality at both local and global levels.

There exist a number of well known multiplicative generating functions for series of Schur functions. Amongst these are some related to the dual Cauchy identity whose expansion coefficients are rather simple, and in some cases periodic in parameters specifying the Schur functions. More recently similar identities have been found involving expansions in terms of characters of the symplectic group. Here these results are extended and generalised to all classical Lie groups. This is done through the derivation of explicit recurrence relations for the expansion coefficients based on the action of the Weyl groups of both the symplectic and orthogonal groups. Copious results are tabulated in the form of explicit values of the expansion coefficients as functions of highest weight parameters. An alternative approach is then based on dual pairs of symplectic and/or orthogonal groups. A byproduct of this approach is that expansions in terms of spin orthogonal group characters can always be recovered from non-spin cases.

We study the SAM (Sharpness-Aware Minimization) optimizer which has recently attracted a lot of interest due to its increased performance over more classical variants of stochastic gradient descent. Our main contribution is the derivation of continuous-time models (in the form of SDEs) for SAM and two of its variants, both for the full-batch and mini-batch settings. We demonstrate that these SDEs are rigorous approximations of the real discrete-time algorithms (in a weak sense, scaling linearly with the learning rate). Using these models, we then offer an explanation of why SAM prefers flat minima over sharp ones~--~by showing that it minimizes an implicitly regularized loss with a Hessian-dependent noise structure. Finally, we prove that SAM is attracted to saddle points under some realistic conditions. Our theoretical results are supported by detailed experiments.

Approximating Stochastic Gradient Descent (SGD) as a Stochastic Differential Equation (SDE) has allowed researchers to enjoy the benefits of studying a continuous optimization trajectory while carefully preserving the stochasticity of SGD. Analogous study of adaptive gradient methods, such as RMSprop and Adam, has been challenging because there were no rigorously proven SDE approximations for these methods. This paper derives the SDE approximations for RMSprop and Adam, giving theoretical guarantees of their correctness as well as experimental validation of their applicability to common large-scaling vision and language settings. A key practical result is the derivation of a square root scaling rule to adjust the optimization hyperparameters of RMSprop and Adam when changing batch size, and its empirical validation in deep learning settings.

As part of its scholarly data efforts, the Internet Archive (IA) releases a first version of a citation graph dataset, named refcat, derived from scholarly publications and additional data sources. It is composed of data gathered by the fatcat cataloging project (the catalog that underpins IA Scholar), related web-scale crawls targeting primary and secondary scholarly outputs, as well as metadata from the Open Library project and Wikipedia. This first version of the graph consists of over 1.3B citations. We release this dataset under a CC0 Public Domain Dedication, accessible through Internet Archive. The source code used for the derivation process, including exact and fuzzy citation matching, is released under an MIT license. The goal of this report is to describe briefly the current contents and the derivation of the dataset.

In this work we introduce a novel stochastic algorithm dubbed SNIPS, which draws samples from the posterior distribution of any linear inverse problem, where the observation is assumed to be contaminated by additive white Gaussian noise. Our solution incorporates ideas from Langevin dynamics and Newton's method, and exploits a pre-trained minimum mean squared error (MMSE) Gaussian denoiser. The proposed approach relies on an intricate derivation of the posterior score function that includes a singular value decomposition (SVD) of the degradation operator, in order to obtain a tractable iterative algorithm for the desired sampling. Due to its stochasticity, the algorithm can produce multiple high perceptual quality samples for the same noisy observation. We demonstrate the abilities of the proposed paradigm for image deblurring, super-resolution, and compressive sensing. We show that the samples produced are sharp, detailed and consistent with the given measurements, and their diversity exposes the inherent uncertainty in the inverse problem being solved.

The framework of reinforcement learning or optimal control provides a mathematical formalization of intelligent decision making that is powerful and broadly applicable. While the general form of the reinforcement learning problem enables effective reasoning about uncertainty, the connection between reinforcement learning and inference in probabilistic models is not immediately obvious. However, such a connection has considerable value when it comes to algorithm design: formalizing a problem as probabilistic inference in principle allows us to bring to bear a wide array of approximate inference tools, extend the model in flexible and powerful ways, and reason about compositionality and partial observability. In this article, we will discuss how a generalization of the reinforcement learning or optimal control problem, which is sometimes termed maximum entropy reinforcement learning, is equivalent to exact probabilistic inference in the case of deterministic dynamics, and variational inference in the case of stochastic dynamics. We will present a detailed derivation of this framework, overview prior work that has drawn on this and related ideas to propose new reinforcement learning and control algorithms, and describe perspectives on future research.

Post-training quantization (PTQ) has emerged as a widely adopted technique for compressing and accelerating Large Language Models (LLMs). The major challenge in LLM quantization is that uneven and heavy-tailed data distributions can expand the quantization range, thereby reducing bit precision for most values. Recent methods attempt to eliminate outliers and balance inter-channel differences by employing linear transformations; however, they remain heuristic and are often overlook optimizing the data distribution across the entire quantization space.In this paper, we introduce Quantization Space Utilization Rate (QSUR), a novel metric that effectively assesses the quantizability of transformed data by measuring the space utilization of the data in the quantization space. We complement QSUR with mathematical derivations that examine the effects and limitations of various transformations, guiding our development of Orthogonal and Scaling Transformation-based Quantization (OSTQuant). OSQuant employs a learnable equivalent transformation, consisting of an orthogonal transformation and a scaling transformation, to optimize the distributions of weights and activations across the entire quantization space. Futhermore, we propose the KL-Top loss function, designed to mitigate noise during optimization while retaining richer semantic information within the limited calibration data imposed by PTQ. OSTQuant outperforms existing work on various LLMs and benchmarks. In the W4-only setting, it retains 99.5\% of the floating-point accuracy. In the more challenging W4A4KV4 configuration, OSTQuant reduces the performance gap by 32\% on the LLaMA-3-8B model compared to state-of-the-art methods. https://github.com/BrotherHappy/OSTQuant{https://github.com/BrotherHappy/OSTQuant}.

We describe SeCaV, a sequent calculus verifier for first-order logic in Isabelle/HOL, and the SeCaV Unshortener, an online tool that expands succinct derivations into the full SeCaV syntax. We leverage the power of Isabelle/HOL as a proof checker for our SeCaV derivations. The interactive features of Isabelle/HOL make our system transparent. For instance, the user can simply click on a side condition to see its exact definition. Our formalized soundness and completeness proofs pertain exactly to the calculus as exposed to the user and not just to some model of our tool. Users can also write their derivations in the SeCaV Unshortener, which provides a lighter syntax, and expand them for later verification. We have used both tools in our teaching.

To meet the growing mobility needs in intra-city transportation, the concept of urban air mobility (UAM) has been proposed in which vertical takeoff and landing (VTOL) aircraft are used to provide a ride-hailing service. In UAM, aircraft can operate in designated air spaces known as corridors, that link the aerodromes. A reliable communication network between GBSs and aircraft enables UAM to adequately utilize the airspace and create a fast, efficient, and safe transportation system. In this paper, to characterize the wireless connectivity performance for UAM, a spatial model is proposed. For this setup, the distribution of the distance between an arbitrarily selected GBS and its associated aircraft and the Laplace transform of the interference experienced by the GBS are derived. Using these results, the signal-to-interference ratio (SIR)-based connectivity probability is determined to capture the connectivity performance of the UAM aircraft-to-ground communication network. Then, leveraging these connectivity results, a wireless-enabled asynchronous federated learning (AFL) framework that uses a Fourier neural network is proposed to tackle the challenging problem of turbulence prediction during UAM operations. For this AFL scheme, a staleness-aware global aggregation scheme is introduced to expedite the convergence to the optimal turbulence prediction model used by UAM aircraft. Simulation results validate the theoretical derivations for the UAM wireless connectivity. The results also demonstrate that the proposed AFL framework converges to the optimal turbulence prediction model faster than the synchronous federated learning baselines and a staleness-free AFL approach. Furthermore, the results characterize the performance of wireless connectivity and convergence of the aircraft's turbulence model under different parameter settings, offering useful UAM design guidelines.

The ability to precisely derive mathematical objects is a core requirement for downstream STEM applications, including mathematics, physics, and chemistry, where reasoning must culminate in formally structured expressions. Yet, current LM evaluations of mathematical and scientific reasoning rely heavily on simplified answer formats such as numerical values or multiple choice options due to the convenience of automated assessment. In this paper we provide three contributions for improving reasoning over mathematical objects: (i) we build and release training data and benchmarks for deriving mathematical objects, the Principia suite; (ii) we provide training recipes with strong LLM-judges and verifiers, where we show that on-policy judge training boosts performance; (iii) we show how on-policy training can also be used to scale test-time compute via aggregation. We find that strong LMs such as Qwen3-235B and o3 struggle on Principia, while our training recipes can bring significant improvements over different LLM backbones, while simultaneously improving results on existing numerical and MCQA tasks, demonstrating cross-format generalization of reasoning abilities.

Recent advances in few-step diffusion models have demonstrated their efficiency and effectiveness by shortcutting the probabilistic paths of diffusion models, especially in training one-step diffusion models from scratch (a.k.a. shortcut models). However, their theoretical derivation and practical implementation are often closely coupled, which obscures the design space. To address this, we propose a common design framework for representative shortcut models. This framework provides theoretical justification for their validity and disentangles concrete component-level choices, thereby enabling systematic identification of improvements. With our proposed improvements, the resulting one-step model achieves a new state-of-the-art FID50k of 2.85 on ImageNet-256x256 under the classifier-free guidance setting with one step generation, and further reaches FID50k of 2.53 with 2x training steps. Remarkably, the model requires no pre-training, distillation, or curriculum learning. We believe our work lowers the barrier to component-level innovation in shortcut models and facilitates principled exploration of their design space.

Gaussian Splatting (GS) has demonstrated impressive quality and efficiency in novel view synthesis. However, shape extraction from Gaussian primitives remains an open problem. Due to inadequate geometry parameterization and approximation, existing shape reconstruction methods suffer from poor multi-view consistency and are sensitive to floaters. In this paper, we present a rigorous theoretical derivation that establishes Gaussian primitives as a specific type of stochastic solids. This theoretical framework provides a principled foundation for Geometry-Grounded Gaussian Splatting by enabling the direct treatment of Gaussian primitives as explicit geometric representations. Using the volumetric nature of stochastic solids, our method efficiently renders high-quality depth maps for fine-grained geometry extraction. Experiments show that our method achieves the best shape reconstruction results among all Gaussian Splatting-based methods on public datasets.

The left-corner transformation (Rosenkrantz and Lewis, 1970) is used to remove left recursion from context-free grammars, which is an important step towards making the grammar parsable top-down with simple techniques. This paper generalizes prior left-corner transformations to support semiring-weighted production rules and to provide finer-grained control over which left corners may be moved. Our generalized left-corner transformation (GLCT) arose from unifying the left-corner transformation and speculation transformation (Eisner and Blatz, 2007), originally for logic programming. Our new transformation and speculation define equivalent weighted languages. Yet, their derivation trees are structurally different in an important way: GLCT replaces left recursion with right recursion, and speculation does not. We also provide several technical results regarding the formal relationships between the outputs of GLCT, speculation, and the original grammar. Lastly, we empirically investigate the efficiency of GLCT for left-recursion elimination from grammars of nine languages.

The push to train ever larger neural networks has motivated the study of initialization and training at large network width. A key challenge is to scale training so that a network's internal representations evolve nontrivially at all widths, a process known as feature learning. Here, we show that feature learning is achieved by scaling the spectral norm of weight matrices and their updates like texttt{fan-out/fan-in}, in contrast to widely used but heuristic scalings based on Frobenius norm and entry size. Our spectral scaling analysis also leads to an elementary derivation of maximal update parametrization. All in all, we aim to provide the reader with a solid conceptual understanding of feature learning in neural networks.

We present a novel global compression framework for deep neural networks that automatically analyzes each layer to identify the optimal per-layer compression ratio, while simultaneously achieving the desired overall compression. Our algorithm hinges on the idea of compressing each convolutional (or fully-connected) layer by slicing its channels into multiple groups and decomposing each group via low-rank decomposition. At the core of our algorithm is the derivation of layer-wise error bounds from the Eckart Young Mirsky theorem. We then leverage these bounds to frame the compression problem as an optimization problem where we wish to minimize the maximum compression error across layers and propose an efficient algorithm towards a solution. Our experiments indicate that our method outperforms existing low-rank compression approaches across a wide range of networks and data sets. We believe that our results open up new avenues for future research into the global performance-size trade-offs of modern neural networks. Our code is available at https://github.com/lucaslie/torchprune.

Multi-agent systems face a fundamental architectural flaw: agent identity is bound to network location. When agents migrate between providers, scale across instances, or federate across organizations, URI-based identity schemes break references, fragment audit trails, and require centralized coordination. We propose the agent:// URI scheme, which decouples identity from topology through three orthogonal components: a trust root establishing organizational authority, a hierarchical capability path enabling semantic discovery, and a sortable unique identifier providing stable reference. The scheme enables capability-based discovery through DHT key derivation, where queries return agents by what they do rather than where they are. Trust-root scoping prevents cross-organization pollution while permitting federation when desired. Cryptographic attestation via PASETO tokens binds capability claims to agent identity, enabling verification without real-time contact with the issuing authority. We evaluate the scheme across four dimensions: capability expressiveness (100% coverage on 369 production tools with zero collision), discovery precision (F1=1.0 across 10,000 agents), identity stability (formal proofs of migration invariance), and performance (all operations under 5 microseconds). The agent:// URI scheme provides a formally-specified, practically-evaluated foundation for decentralized agent identity and capability-based discovery.

Traditional saliency map methods, popularized in computer vision, highlight individual points (pixels) of the input that contribute the most to the model's output. However, in time-series they offer limited insights as semantically meaningful features are often found in other domains. We introduce Cross-domain Integrated Gradients, a generalization of Integrated Gradients. Our method enables feature attributions on any domain that can be formulated as an invertible, differentiable transformation of the time domain. Crucially, our derivation extends the original Integrated Gradients into the complex domain, enabling frequency-based attributions. We provide the necessary theoretical guarantees, namely, path independence and completeness. Our approach reveals interpretable, problem-specific attributions that time-domain methods cannot capture, on three real-world tasks: wearable sensor heart rate extraction, electroencephalography-based seizure detection, and zero-shot time-series forecasting. We release an open-source Tensorflow/PyTorch library to enable plug-and-play cross-domain explainability for time-series models. These results demonstrate the ability of cross-domain integrated gradients to provide semantically meaningful insights in time-series models that are impossible with traditional time-domain saliency.

In this study, the spin-orbit torque (SOT) in light metal oxide systems is investigated using an experimental approach based on harmonic Hall voltage techniques in out-of-plane (OOP) angular geometry for samples with in-plane magnetic anisotropy. In parallel, an analytical derivation of this alternative OOP harmonic Hall detection geometry has been developed, followed by experimental validation to extract SOT effective fields. In addition, to accurately quantifying SOT, this method allows complete characterization of thermoelectric effects, opening promising avenues for accurate SOT characterization in related systems. In particular, this study corroborates the critical role of naturally oxidized copper interfaced with metallic Cu in the generation of orbital current in Co(2)|Pt(4)|CuOx(3), demonstrating a two-fold increase in damping-like torques compared to a reference sample with an oxidized Al capping layer. These findings offer promising directions for future research on the application aspect of non-equilibrium orbital angular momentum.

Retrieval Augmented Generation (RAG) is widely used to enable Large Language Models (LLMs) perform Question Answering (QA) tasks in various domains. However, RAG based on open-source LLM for specialized domains has challenges of evaluating generated responses. A popular framework in the literature is the RAG Assessment (RAGAS), a publicly available library which uses LLMs for evaluation. One disadvantage of RAGAS is the lack of details of derivation of numerical value of the evaluation metrics. One of the outcomes of this work is a modified version of this package for few metrics (faithfulness, context relevance, answer relevance, answer correctness, answer similarity and factual correctness) through which we provide the intermediate outputs of the prompts by using any LLMs. Next, we analyse the expert evaluations of the output of the modified RAGAS package and observe the challenges of using it in the telecom domain. We also study the effect of the metrics under correct vs. wrong retrieval and observe that few of the metrics have higher values for correct retrieval. We also study for differences in metrics between base embeddings and those domain adapted via pre-training and fine-tuning. Finally, we comment on the suitability and challenges of using these metrics for in-the-wild telecom QA task.

Multivariate time-series data in numerous real-world applications (e.g., healthcare and industry) are informative but challenging due to the lack of labels and high dimensionality. Recent studies in self-supervised learning have shown their potential in learning rich representations without relying on labels, yet they fall short in learning disentangled embeddings and addressing issues of inductive bias (e.g., transformation-invariance). To tackle these challenges, we propose TimeDRL, a generic multivariate time-series representation learning framework with disentangled dual-level embeddings. TimeDRL is characterized by three novel features: (i) disentangled derivation of timestamp-level and instance-level embeddings from patched time-series data using a [CLS] token strategy; (ii) utilization of timestamp-predictive and instance-contrastive tasks for disentangled representation learning, with the former optimizing timestamp-level embeddings with predictive loss, and the latter optimizing instance-level embeddings with contrastive loss; and (iii) avoidance of augmentation methods to eliminate inductive biases, such as transformation-invariance from cropping and masking. Comprehensive experiments on 6 time-series forecasting datasets and 5 time-series classification datasets have shown that TimeDRL consistently surpasses existing representation learning approaches, achieving an average improvement of forecasting by 58.02% in MSE and classification by 1.48% in accuracy. Furthermore, extensive ablation studies confirmed the relative contribution of each component in TimeDRL's architecture, and semi-supervised learning evaluations demonstrated its effectiveness in real-world scenarios, even with limited labeled data. The code is available at https://github.com/blacksnail789521/TimeDRL.

The demonstrated code-understanding capability of LLMs raises the question of whether they can be used for automated program verification, a task that often demands high-level abstract reasoning about program properties, which is challenging for verification tools. We propose a general methodology to combine the power of LLMs and automated reasoners for automated program verification. We formally describe this methodology as a set of derivation rules and prove its soundness. We instantiate the calculus as a sound automated verification procedure, which led to practical improvements on a set of synthetic and competition benchmarks.

This manuscript considers the problem of learning a random Gaussian network function using a fully connected network with frozen intermediate layers and trainable readout layer. This problem can be seen as a natural generalization of the widely studied random features model to deeper architectures. First, we prove Gaussian universality of the test error in a ridge regression setting where the learner and target networks share the same intermediate layers, and provide a sharp asymptotic formula for it. Establishing this result requires proving a deterministic equivalent for traces of the deep random features sample covariance matrices which can be of independent interest. Second, we conjecture the asymptotic Gaussian universality of the test error in the more general setting of arbitrary convex losses and generic learner/target architectures. We provide extensive numerical evidence for this conjecture, which requires the derivation of closed-form expressions for the layer-wise post-activation population covariances. In light of our results, we investigate the interplay between architecture design and implicit regularization.

The Mean Spherical Approximation (MSA) is a commonly-used thermodynamic theory for computing the energetics of ions in the primitive model (i.e., charged hard-sphere ions in a background dielectric). For the excess chemical potential, however, the early MSA formulations (which were widely adopted) only included the terms needed to compute the mean excess chemical potential (or the mean activity coefficient). Other terms for the chemical potential μ_i of individual species i were not included because they sum to 0 in the mean chemical potential. Here, we derive these terms to give a complete MSA formulation of the chemical potential. The result is a simple additive term for μ_i that we show is a qualitative improvement over the previous MSA version. In addition, our derivation shows that the MSA's assumption of global charge neutrality is not strictly necessary, so that the MSA is also valid for systems close to neutrality.

We consider the dictionary-based ROM-net (Reduced Order Model) framework [T. Daniel, F. Casenave, N. Akkari, D. Ryckelynck, Model order reduction assisted by deep neural networks (ROM-net), Advanced modeling and Simulation in Engineering Sciences 7 (16), 2020] and summarize the underlying methodologies and their recent improvements. The main contribution of this work is the application of the complete workflow to a real-life industrial model of an elastoviscoplastic high-pressure turbine blade subjected to thermal, centrifugal and pressure loadings, for the quantification of the uncertainty on dual quantities (such as the accumulated plastic strain and the stress tensor), generated by the uncertainty on the temperature loading field. The dictionary-based ROM-net computes predictions of dual quantities of interest for 1008 Monte Carlo draws of the temperature loading field in 2 hours and 48 minutes, which corresponds to a speedup greater than 600 with respect to a reference parallel solver using domain decomposition, with a relative error in the order of 2%. Another contribution of this work consists in the derivation of a meta-model to reconstruct the dual quantities of interest over the complete mesh from their values on the reduced integration points.

In this work, we focus on a fractional differential equation in Riesz form discretized by a polynomial B-spline collocation method. For an arbitrary polynomial degree p, we show that the resulting coefficient matrices possess a Toeplitz-like structure. We investigate their spectral properties via their symbol and we prove that, like for second order differential problems, also in this case the given matrices are ill-conditioned both in the low and high frequencies for large p. More precisely, in the fractional scenario the symbol has a single zero at 0 of order α, with α the fractional derivative order that ranges from 1 to 2, and it presents an exponential decay to zero at π for increasing p that becomes faster as α approaches 1. This translates in a mitigated conditioning in the low frequencies and in a deterioration in the high frequencies when compared to second order problems. Furthermore, the derivation of the symbol reveals another similarity of our problem with a classical diffusion problem. Since the entries of the coefficient matrices are defined as evaluations of fractional derivatives of the B-spline basis at the collocation points, we are able to express the central entries of the coefficient matrix as inner products of two fractional derivatives of cardinal B-splines. Finally, we perform a numerical study of the approximation behavior of polynomial B-spline collocation. This study suggests that, in line with non-fractional diffusion problems, the approximation order for smooth solutions in the fractional case is p+2-α for even p, and p+1-α for odd p.

This paper describes the design and simulation of an 8-bit dedicated processor for calculating the Sine and Cosine of an Angle using CORDIC Algorithm (COordinate Rotation DIgital Computer), a simple and efficient algorithm to calculate hyperbolic and trigonometric functions. We have proposed a dedicated processor system, modeled by writing appropriate programs in VHDL, for calculating the Sine and Cosine of an angle. System simulation was carried out using ModelSim 6.3f and Xilinx ISE Design Suite 12.3. A maximum frequency of 81.353 MHz was reached with a minimum period of 12.292 ns. 126 (3%) slices were used. This paper attempts to survey the existing CORDIC algorithm with an eye towards implementation in Field Programmable Gate Arrays (FPGAs). A brief description of the theory behind the algorithm and the derivation of the Sine and Cosine of an angle using the CORDIC algorithm has been presented. The system can be implemented using Spartan3 XC3S400 with Xilinx ISE 12.3 and VHDL.

Quantization to low bitwidth is a standard approach for deploying large language models, however, a few extreme weights and activations stretch the dynamic range and reduce the effective resolution of the quantizer. A common mitigation approach is to apply some fixed orthogonal transforms, such as Hadamard matrices, before quantization, which typically reduces the dynamic range. Yet, these transforms ignore the statistics of the data, and their optimality is currently not understood. In this work, we derive, for the first time, closed-form optimal linear blockwise transforms for joint weight-activation quantization using standard data-free quantizers for common numerical formats. Specifically, we provide derivations of the optimal adaptive (data-aware) transforms for round-to-nearest (RTN), AbsMax-scaled block quantizers for both integer and floating-point formats. The resulting construction, which we call WUSH, combines a Hadamard backbone with a data-dependent component based on second-order moments, yielding a non-orthogonal transform that is provably optimal under mild assumptions and remains structured for efficient implementation. Preliminary experimental results show that our approach consistently improves upon the Hadamard transform for common formats.

The application of Reinforcement Learning with Verifiable Rewards (RLVR) to mathematical and coding domains has demonstrated significant improvements in the reasoning and problem-solving abilities of Large Language Models. Despite its success in single generation problem solving, the reinforcement learning fine-tuning process may harm the model's exploration ability, as reflected in decreased diversity of generations and a resulting degradation of performance during Best-of-N sampling for large N values. In this work, we focus on optimizing the max@k metric, a continuous generalization of pass@k. We derive an unbiased on-policy gradient estimate for direct optimization of this metric. Furthermore, we extend our derivations to the off-policy updates, a common element in modern RLVR algorithms, that allows better sample efficiency. Empirically, we show that our objective effectively optimizes max@k metric in off-policy scenarios, aligning the model with the Best-of-N inference strategy.

Policy gradient algorithms have been successfully applied to enhance the reasoning capabilities of large language models (LLMs). Despite the widespread use of Kullback-Leibler (KL) regularization in policy gradient algorithms to stabilize training, the systematic exploration of how different KL divergence formulations can be estimated and integrated into surrogate loss functions for online reinforcement learning (RL) presents a nuanced and systematically explorable design space. In this paper, we propose regularized policy gradient (RPG), a systematic framework for deriving and analyzing KL-regularized policy gradient methods in the online RL setting. We derive policy gradients and corresponding surrogate loss functions for objectives regularized by both forward and reverse KL divergences, considering both normalized and unnormalized policy distributions. Furthermore, we present derivations for fully differentiable loss functions as well as REINFORCE-style gradient estimators, accommodating diverse algorithmic needs. We conduct extensive experiments on RL for LLM reasoning using these methods, showing improved or competitive results in terms of training stability and performance compared to strong baselines such as GRPO, REINFORCE++, and DAPO. The code is available at https://github.com/complex-reasoning/RPG.

Latent variable (LV) models are widely used in psychological research to investigate relationships among unobservable constructs. When one-stage estimation of the overall LV model is challenging, two-stage factor score regression (FSR) serves as a convenient alternative: the measurement model is fitted to obtain factor scores in the first stage, which are then used to fit the structural model in the subsequent stage. However, naive application of FSR is known to yield biased estimates of structural parameters. In this paper, we develop a generic bias-correction framework for two-stage estimation of parametric statistical models and tailor it specifically to FSR. Unlike existing bias-corrected FSR solutions, the proposed method applies to a broader class of LV models and does not require computing specific types of factor scores. We establish the root-n consistency of the proposed bias-corrected two-stage estimator under mild regularity conditions. To ensure broad applicability and minimize reliance on complex analytical derivations, we introduce a stochastic approximation algorithm for point estimation and a Monte Carlo-based procedure for variance estimation. In a sequence of Monte Carlo experiments, we demonstrate that the bias-corrected FSR estimator performs comparably to the ``gold standard'' one-stage maximum likelihood estimator. These results suggest that our approach offers a straightforward yet effective alternative for estimating LV models.

Combinatorial optimization (CO) is naturally discrete, making machine learning based on differentiable optimization inapplicable. Karalias & Loukas (2020) adapted the probabilistic method to incorporate CO into differentiable optimization. Their work ignited the research on unsupervised learning for CO, composed of two main components: probabilistic objectives and derandomization. However, each component confronts unique challenges. First, deriving objectives under various conditions (e.g., cardinality constraints and minimum) is nontrivial. Second, the derandomization process is underexplored, and the existing derandomization methods are either random sampling or naive rounding. In this work, we aim to tackle prevalent (i.e., commonly involved) conditions in unsupervised CO. First, we concretize the targets for objective construction and derandomization with theoretical justification. Then, for various conditions commonly involved in different CO problems, we derive nontrivial objectives and derandomization to meet the targets. Finally, we apply the derivations to various CO problems. Via extensive experiments on synthetic and real-world graphs, we validate the correctness of our derivations and show our empirical superiority w.r.t. both optimization quality and speed.

Efficient deployment of large language models (LLMs) requires extreme quantization, forcing a critical trade-off between low-bit efficiency and performance. Residual binarization enables hardware-friendly, matmul-free inference by stacking binary (pm1) layers, but is plagued by pathological feature co-adaptation. We identify a key failure mode, which we term inter-path adaptation: during quantization-aware training (QAT), parallel residual binary paths learn redundant features, degrading the error-compensation structure and limiting the expressive capacity of the model. While prior work relies on heuristic workarounds (e.g., path freezing) that constrain the solution space, we propose RaBiT, a novel quantization framework that resolves co-adaptation by algorithmically enforcing a residual hierarchy. Its core mechanism sequentially derives each binary path from a single shared full-precision weight, which ensures that every path corrects the error of the preceding one. This process is stabilized by a robust initialization that prioritizes functional preservation over mere weight approximation. RaBiT redefines the 2-bit accuracy-efficiency frontier: it achieves state-of-the-art performance, rivals even hardware-intensive Vector Quantization (VQ) methods, and delivers a 4.49times inference speed-up over full-precision models on an RTX 4090.

Off-policy reinforcement learning (RL) for large language models (LLMs) is attracting growing interest, driven by practical constraints in real-world applications, the complexity of LLM-RL infrastructure, and the need for further innovations of RL methodologies. While classic REINFORCE and its modern variants like Group Relative Policy Optimization (GRPO) are typically regarded as on-policy algorithms with limited tolerance of off-policyness, we present in this work a first-principles derivation for group-relative REINFORCE without assuming a specific training data distribution, showing that it admits a native off-policy interpretation. This perspective yields two general principles for adapting REINFORCE to off-policy settings: regularizing policy updates, and actively shaping the data distribution. Our analysis demystifies some myths about the roles of importance sampling and clipping in GRPO, unifies and reinterprets two recent algorithms -- Online Policy Mirror Descent (OPMD) and Asymmetric REINFORCE (AsymRE) -- as regularized forms of the REINFORCE loss, and offers theoretical justification for seemingly heuristic data-weighting strategies. Our findings lead to actionable insights that are validated with extensive empirical studies, and open up new opportunities for principled algorithm design in off-policy RL for LLMs. Source code for this work is available at https://github.com/modelscope/Trinity-RFT/tree/main/examples/rec_gsm8k.

Large Language Models (LLMs) rely on Human Preference Alignment (HPA) to ensure the generation of safe content. Due to the heavy cost associated with fine-tuning, fine-tuning-free methods have emerged, typically modifying LLM decoding with external auxiliary methods. However, these methods do not essentially enhance the LLM itself. In this paper, we rethink the derivation procedures of DPO, based on which we conversely build an instant scorer using the states of the LLM before and after In-context Learning (ICL). Accordingly, we propose a novel approach called In-Context Direct Preference Optimization (ICDPO). It enables LLMs to borrow the HPA capabilities from superior LLMs with ICL, generating well-aligned responses as estimated by the aforementioned instant scorer, thereby enhancing the final performance. ICDPO can be further enhanced with a two-stage retriever and an upgraded scorer, both offering benefits. Extensive experiments show its effectiveness, particularly in outperforming two fine-tuning-free baselines, and it exhibits competitiveness with SFT + LoRA. We also conduct detailed analyses to offer comprehensive insights into ICDPO.

This paper introduces a hybrid encryption framework combining classical cryptography (EdDSA, ECDH), post-quantum cryptography (ML-DSA-6x5, ML-KEM-768), and Quantum Key Distribution (QKD) via Guardian to counter quantum computing threats. Our prototype implements this integration, using a key derivation function to generate secure symmetric and HMAC keys, and evaluates its performance across execution time and network metrics. The approach improves data protection by merging classical efficiency with PQC's quantum resilience and QKD's key security, offering a practical transition path for cryptographic systems. This research lays the foundation for future adoption of PQC in securing digital communication.

Diffusion models for continuous data gained widespread adoption owing to their high quality generation and control mechanisms. However, controllable diffusion on discrete data faces challenges given that continuous guidance methods do not directly apply to discrete diffusion. Here, we provide a straightforward derivation of classifier-free and classifier-based guidance for discrete diffusion, as well as a new class of diffusion models that leverage uniform noise and that are more guidable because they can continuously edit their outputs. We improve the quality of these models with a novel continuous-time variational lower bound that yields state-of-the-art performance, especially in settings involving guidance or fast generation. Empirically, we demonstrate that our guidance mechanisms combined with uniform noise diffusion improve controllable generation relative to autoregressive and diffusion baselines on several discrete data domains, including genomic sequences, small molecule design, and discretized image generation.

Feature attribution methods (FAs), such as gradients and attention, are widely employed approaches to derive the importance of all input features to the model predictions. Existing work in natural language processing has mostly focused on developing and testing FAs for encoder-only language models (LMs) in classification tasks. However, it is unknown if it is faithful to use these FAs for decoder-only models on text generation, due to the inherent differences between model architectures and task settings respectively. Moreover, previous work has demonstrated that there is no `one-wins-all' FA across models and tasks. This makes the selection of a FA computationally expensive for large LMs since input importance derivation often requires multiple forward and backward passes including gradient computations that might be prohibitive even with access to large compute. To address these issues, we present a model-agnostic FA for generative LMs called Recursive Attribution Generator (ReAGent). Our method updates the token importance distribution in a recursive manner. For each update, we compute the difference in the probability distribution over the vocabulary for predicting the next token between using the original input and using a modified version where a part of the input is replaced with RoBERTa predictions. Our intuition is that replacing an important token in the context should have resulted in a larger change in the model's confidence in predicting the token than replacing an unimportant token. Our method can be universally applied to any generative LM without accessing internal model weights or additional training and fine-tuning, as most other FAs require. We extensively compare the faithfulness of ReAGent with seven popular FAs across six decoder-only LMs of various sizes. The results show that our method consistently provides more faithful token importance distributions.

A central problem in learning from sequential data is representing cumulative history in an incremental fashion as more data is processed. We introduce a general framework (HiPPO) for the online compression of continuous signals and discrete time series by projection onto polynomial bases. Given a measure that specifies the importance of each time step in the past, HiPPO produces an optimal solution to a natural online function approximation problem. As special cases, our framework yields a short derivation of the recent Legendre Memory Unit (LMU) from first principles, and generalizes the ubiquitous gating mechanism of recurrent neural networks such as GRUs. This formal framework yields a new memory update mechanism (HiPPO-LegS) that scales through time to remember all history, avoiding priors on the timescale. HiPPO-LegS enjoys the theoretical benefits of timescale robustness, fast updates, and bounded gradients. By incorporating the memory dynamics into recurrent neural networks, HiPPO RNNs can empirically capture complex temporal dependencies. On the benchmark permuted MNIST dataset, HiPPO-LegS sets a new state-of-the-art accuracy of 98.3%. Finally, on a novel trajectory classification task testing robustness to out-of-distribution timescales and missing data, HiPPO-LegS outperforms RNN and neural ODE baselines by 25-40% accuracy.

Multi-modal Large Language Models (MLLMs) have significantly advanced video reasoning, yet Video Question Answering (VideoQA) remains challenging due to its demand for temporal causal reasoning and evidence-grounded answer generation. Prevailing end-to-end MLLM frameworks lack explicit structured reasoning between visual perception and answer derivation, causing severe hallucinations and poor interpretability. Existing methods also fail to address three core gaps: faithful visual clue extraction, utility-aware clue filtering, and end-to-end clue-answer alignment. Inspired by hierarchical human visual cognition, we propose ClueNet, a clue-aware video reasoning framework with a two-stage supervised fine-tuning paradigm without extensive base model modifications. Decoupled supervision aligns clue extraction and chain-based reasoning, while inference supervision with an adaptive clue filter refines high-order reasoning, alongside lightweight modules for efficient inference. Experiments on NExT-QA, STAR, and MVBench show that ClueNet outperforms state-of-the-art methods by ge 1.1%, with superior generalization, hallucination mitigation, inference efficiency, and cross-backbone compatibility. This work bridges the perception-to-generation gap in MLLM video understanding, providing an interpretable, faithful reasoning paradigm for high-stakes VideoQA applications.

The growing demand for text-to-image generation has led to rapid advances in generative modeling. Recently, text-to-image diffusion models trained with flow matching algorithms, such as FLUX, have achieved remarkable progress and emerged as strong alternatives to conventional diffusion models. At the same time, inference-time enhancement strategies have been shown to improve the generation quality and text-prompt alignment of text-to-image diffusion models. However, these techniques are mainly applicable to conventional diffusion models and usually fail to perform well on flow models. To bridge this gap, we propose Reflective Flow Sampling (RF-Sampling), a theoretically-grounded and training-free inference enhancement framework explicitly designed for flow models, especially for the CFG-distilled variants (i.e., models distilled from CFG guidance techniques), like FLUX. Departing from heuristic interpretations, we provide a formal derivation proving that RF-Sampling implicitly performs gradient ascent on the text-image alignment score. By leveraging a linear combination of textual representations and integrating them with flow inversion, RF-Sampling allows the model to explore noise spaces that are more consistent with the input prompt. Extensive experiments across multiple benchmarks demonstrate that RF-Sampling consistently improves both generation quality and prompt alignment. Moreover, RF-Sampling is also the first inference enhancement method that can exhibit test-time scaling ability to some extent on FLUX.

Large Language Models (LLMs) have enabled automated heuristic design (AHD) for combinatorial optimization problems (COPs), but existing frameworks' reliance on fixed evolutionary rules and static prompt templates often leads to myopic heuristic generation, redundant evaluations, and limited reasoning about how new heuristics should be derived. We propose a novel multi-agent reasoning framework, referred to as Planning through World Model for Automated Heuristic Design via Self-Evolving LLMs (PathWise), which formulates heuristic generation as a sequential decision process over an entailment graph serving as a compact, stateful memory of the search trajectory. This approach allows the system to carry forward past decisions and reuse or avoid derivation information across generations. A policy agent plans evolutionary actions, a world model agent generates heuristic rollouts conditioned on those actions, and critic agents provide routed reflections summarizing lessons from prior steps, shifting LLM-based AHD from trial-and-error evolution toward state-aware planning through reasoning. Experiments across diverse COPs show that PathWise converges faster to better heuristics, generalizes across different LLM backbones, and scales to larger problem sizes.

Recent advances in DeepResearch-style agents have demonstrated strong capabilities in autonomous information acquisition and synthesize from real-world web environments. However, existing approaches remain fundamentally limited to text modality. Extending autonomous information-seeking agents to multimodal settings introduces critical challenges: the specialization-generalization trade-off that emerges when training models for multimodal tool-use at scale, and the severe scarcity of training data capturing complex, multi-step multimodal search trajectories. To address these challenges, we propose M^3Searcher, a modular multimodal information-seeking agent that explicitly decouples information acquisition from answer derivation. M^3Searcher is optimized with a retrieval-oriented multi-objective reward that jointly encourages factual accuracy, reasoning soundness, and retrieval fidelity. In addition, we develop MMSearchVQA, a multimodal multi-hop dataset to support retrieval centric RL training. Experimental results demonstrate that M^3Searcher outperforms existing approaches, exhibits strong transfer adaptability and effective reasoning in complex multimodal tasks.

Transformers have achieved remarkable success across diverse domains, but their monolithic architecture presents challenges in interpretability, adaptability, and scalability. This paper introduces a novel modular Transformer architecture that explicitly decouples knowledge and reasoning through a generalized cross-attention mechanism to a globally shared knowledge base with layer-specific transformations, specifically designed for effective knowledge retrieval. Critically, we provide a rigorous mathematical derivation demonstrating that the Feed-Forward Network (FFN) in a standard Transformer is a specialized case (a closure) of this generalized cross-attention, revealing its role in implicit knowledge retrieval and validating our design. This theoretical framework provides a new lens for understanding FFNs and lays the foundation for future research exploring enhanced interpretability, adaptability, and scalability, enabling richer interplay with external knowledge bases and other systems.

Diffusion models have become the go-to method for large-scale generative models in real-world applications. These applications often involve data distributions confined within bounded domains, typically requiring ad-hoc thresholding techniques for boundary enforcement. Reflected diffusion models (Lou23) aim to enhance generalizability by generating the data distribution through a backward process governed by reflected Brownian motion. However, reflected diffusion models may not easily adapt to diverse domains without the derivation of proper diffeomorphic mappings and do not guarantee optimal transport properties. To overcome these limitations, we introduce the Reflected Schrodinger Bridge algorithm: an entropy-regularized optimal transport approach tailored for generating data within diverse bounded domains. We derive elegant reflected forward-backward stochastic differential equations with Neumann and Robin boundary conditions, extend divergence-based likelihood training to bounded domains, and explore natural connections to entropic optimal transport for the study of approximate linear convergence - a valuable insight for practical training. Our algorithm yields robust generative modeling in diverse domains, and its scalability is demonstrated in real-world constrained generative modeling through standard image benchmarks.

Domain generalization (DG) is a principal task to evaluate the robustness of computer vision models. Many previous studies have used normalization for DG. In normalization, statistics and normalized features are regarded as style and content, respectively. However, it has a content variation problem when removing style because the boundary between content and style is unclear. This study addresses this problem from the frequency domain perspective, where amplitude and phase are considered as style and content, respectively. First, we verify the quantitative phase variation of normalization through the mathematical derivation of the Fourier transform formula. Then, based on this, we propose a novel normalization method, PCNorm, which eliminates style only as the preserving content through spectral decomposition. Furthermore, we propose advanced PCNorm variants, CCNorm and SCNorm, which adjust the degrees of variations in content and style, respectively. Thus, they can learn domain-agnostic representations for DG. With the normalization methods, we propose ResNet-variant models, DAC-P and DAC-SC, which are robust to the domain gap. The proposed models outperform other recent DG methods. The DAC-SC achieves an average state-of-the-art performance of 65.6% on five datasets: PACS, VLCS, Office-Home, DomainNet, and TerraIncognita.

This article presents GrowliFlower, a georeferenced, image-based UAV time series dataset of two monitored cauliflower fields of size 0.39 and 0.60 ha acquired in 2020 and 2021. The dataset contains RGB and multispectral orthophotos from which about 14,000 individual plant coordinates are derived and provided. The coordinates enable the dataset users the extraction of complete and incomplete time series of image patches showing individual plants. The dataset contains collected phenotypic traits of 740 plants, including the developmental stage as well as plant and cauliflower size. As the harvestable product is completely covered by leaves, plant IDs and coordinates are provided to extract image pairs of plants pre and post defoliation, to facilitate estimations of cauliflower head size. Moreover, the dataset contains pixel-accurate leaf and plant instance segmentations, as well as stem annotations to address tasks like classification, detection, segmentation, instance segmentation, and similar computer vision tasks. The dataset aims to foster the development and evaluation of machine learning approaches. It specifically focuses on the analysis of growth and development of cauliflower and the derivation of phenotypic traits to foster the development of automation in agriculture. Two baseline results of instance segmentation at plant and leaf level based on the labeled instance segmentation data are presented. The entire data set is publicly available.

The last decade has witnessed a rapid growth of the field of exoplanet discovery and characterisation. However, several big challenges remain, many of which could be addressed using machine learning methodology. For instance, the most prolific method for detecting exoplanets and inferring several of their characteristics, transit photometry, is very sensitive to the presence of stellar spots. The current practice in the literature is to identify the effects of spots visually and correct for them manually or discard the affected data. This paper explores a first step towards fully automating the efficient and precise derivation of transit depths from transit light curves in the presence of stellar spots. The methods and results we present were obtained in the context of the 1st Machine Learning Challenge organized for the European Space Agency's upcoming Ariel mission. We first present the problem, the simulated Ariel-like data and outline the Challenge while identifying best practices for organizing similar challenges in the future. Finally, we present the solutions obtained by the top-5 winning teams, provide their code and discuss their implications. Successful solutions either construct highly non-linear (w.r.t. the raw data) models with minimal preprocessing -deep neural networks and ensemble methods- or amount to obtaining meaningful statistics from the light curves, constructing linear models on which yields comparably good predictive performance.

With the explosive growth of data, long-sequence modeling has become increasingly important in tasks such as natural language processing and bioinformatics. However, existing methods face inherent trade-offs between efficiency and memory. Recurrent neural networks suffer from gradient vanishing and explosion, making them hard to scale. Transformers can model global dependencies but are constrained by quadratic complexity. Recently, selective state-space models such as Mamba have demonstrated high efficiency with O(n) time and O(1) recurrent inference, yet their long-range memory decays exponentially. In this work, we conduct mathematical derivations and information-theoretic analysis to systematically uncover the memory decay mechanism of Mamba, answering a fundamental question: what is the nature of Mamba's long-range memory and how does it retain information? To quantify key information loss, we further introduce horizontal-vertical memory fidelity metrics that capture degradation both within and across layers. Inspired by how humans distill and retain salient information when reading long documents, we propose MemMamba, a novel architectural framework that integrates state summarization mechanism together with cross-layer and cross-token attention, which alleviates long-range forgetting while preserving linear complexity. MemMamba achieves significant improvements over existing Mamba variants and Transformers on long-sequence benchmarks such as PG19 and Passkey Retrieval, while delivering a 48% speedup in inference efficiency. Both theoretical analysis and empirical results demonstrate that MemMamba achieves a breakthrough in the complexity-memory trade-off, offering a new paradigm for ultra-long sequence modeling.

Progress in AI is driven largely by the scale and quality of training data. Despite this, there is a deficit of empirical analysis examining the attributes of well-established datasets beyond text. In this work we conduct the largest and first-of-its-kind longitudinal audit across modalities--popular text, speech, and video datasets--from their detailed sourcing trends and use restrictions to their geographical and linguistic representation. Our manual analysis covers nearly 4000 public datasets between 1990-2024, spanning 608 languages, 798 sources, 659 organizations, and 67 countries. We find that multimodal machine learning applications have overwhelmingly turned to web-crawled, synthetic, and social media platforms, such as YouTube, for their training sets, eclipsing all other sources since 2019. Secondly, tracing the chain of dataset derivations we find that while less than 33% of datasets are restrictively licensed, over 80% of the source content in widely-used text, speech, and video datasets, carry non-commercial restrictions. Finally, counter to the rising number of languages and geographies represented in public AI training datasets, our audit demonstrates measures of relative geographical and multilingual representation have failed to significantly improve their coverage since 2013. We believe the breadth of our audit enables us to empirically examine trends in data sourcing, restrictions, and Western-centricity at an ecosystem-level, and that visibility into these questions are essential to progress in responsible AI. As a contribution to ongoing improvements in dataset transparency and responsible use, we release our entire multimodal audit, allowing practitioners to trace data provenance across text, speech, and video.

Large language models (LLMs) now solve multi-step problems by emitting extended chains of thought. During the process, they often re-derive the same intermediate steps across problems, inflating token usage and latency. This saturation of the context window leaves less capacity for exploration. We study a simple mechanism that converts recurring reasoning fragments into concise, reusable "behaviors" (name + instruction) via the model's own metacognitive analysis of prior traces. These behaviors are stored in a "behavior handbook" which supplies them to the model in-context at inference or distills them into parameters via supervised fine-tuning. This approach achieves improved test-time reasoning across three different settings - 1) Behavior-conditioned inference: Providing the LLM relevant behaviors in-context during reasoning reduces number of reasoning tokens by up to 46% while matching or improving baseline accuracy; 2) Behavior-guided self-improvement: Without any parameter updates, the model improves its own future reasoning by leveraging behaviors from its own past problem solving attempts. This yields up to 10% higher accuracy than a naive critique-and-revise baseline; and 3) Behavior-conditioned SFT: SFT on behavior-conditioned reasoning traces is more effective at converting non-reasoning models into reasoning models as compared to vanilla SFT. Together, these results indicate that turning slow derivations into fast procedural hints enables LLMs to remember how to reason, not just what to conclude.

Conditional diffusion models have exhibited superior performance in high-fidelity text-guided visual generation and editing. Nevertheless, prevailing text-guided visual diffusion models primarily focus on incorporating text-visual relationships exclusively into the reverse process, often disregarding their relevance in the forward process. This inconsistency between forward and reverse processes may limit the precise conveyance of textual semantics in visual synthesis results. To address this issue, we propose a novel and general contextualized diffusion model (ContextDiff) by incorporating the cross-modal context encompassing interactions and alignments between text condition and visual sample into forward and reverse processes. We propagate this context to all timesteps in the two processes to adapt their trajectories, thereby facilitating cross-modal conditional modeling. We generalize our contextualized diffusion to both DDPMs and DDIMs with theoretical derivations, and demonstrate the effectiveness of our model in evaluations with two challenging tasks: text-to-image generation, and text-to-video editing. In each task, our ContextDiff achieves new state-of-the-art performance, significantly enhancing the semantic alignment between text condition and generated samples, as evidenced by quantitative and qualitative evaluations. Our code is available at https://github.com/YangLing0818/ContextDiff

Traditional methods for learning with the presence of noisy labels have successfully handled datasets with artificially injected noise but still fall short of adequately handling real-world noise. With the increasing use of meta-learning in the diverse fields of machine learning, researchers leveraged auxiliary small clean datasets to meta-correct the training labels. Nonetheless, existing meta-label correction approaches are not fully exploiting their potential. In this study, we propose an Enhanced Meta Label Correction approach abbreviated as EMLC for the learning with noisy labels (LNL) problem. We re-examine the meta-learning process and introduce faster and more accurate meta-gradient derivations. We propose a novel teacher architecture tailored explicitly to the LNL problem, equipped with novel training objectives. EMLC outperforms prior approaches and achieves state-of-the-art results in all standard benchmarks. Notably, EMLC enhances the previous art on the noisy real-world dataset Clothing1M by 1.52% while requiring times 0.5 the time per epoch and with much faster convergence of the meta-objective when compared to the baseline approach.

Machine learning algorithms relying on deep neural networks recently allowed a great leap forward in artificial intelligence. Despite the popularity of their applications, the efficiency of these algorithms remains largely unexplained from a theoretical point of view. The mathematical description of learning problems involves very large collections of interacting random variables, difficult to handle analytically as well as numerically. This complexity is precisely the object of study of statistical physics. Its mission, originally pointed towards natural systems, is to understand how macroscopic behaviors arise from microscopic laws. Mean-field methods are one type of approximation strategy developed in this view. We review a selection of classical mean-field methods and recent progress relevant for inference in neural networks. In particular, we remind the principles of derivations of high-temperature expansions, the replica method and message passing algorithms, highlighting their equivalences and complementarities. We also provide references for past and current directions of research on neural networks relying on mean-field methods.

Large language models have made significant progress in mathematical reasoning, which serves as an important testbed for AI and could impact scientific research if further advanced. By scaling reasoning with reinforcement learning that rewards correct final answers, LLMs have improved from poor performance to saturating quantitative reasoning competitions like AIME and HMMT in one year. However, this approach faces fundamental limitations. Pursuing higher final answer accuracy doesn't address a key issue: correct answers don't guarantee correct reasoning. Moreover, many mathematical tasks like theorem proving require rigorous step-by-step derivation rather than numerical answers, making final answer rewards inapplicable. To push the limits of deep reasoning, we believe it is necessary to verify the comprehensiveness and rigor of mathematical reasoning. Self-verification is particularly important for scaling test-time compute, especially for open problems without known solutions. Towards self-verifiable mathematical reasoning, we investigate how to train an accurate and faithful LLM-based verifier for theorem proving. We then train a proof generator using the verifier as the reward model, and incentivize the generator to identify and resolve as many issues as possible in their own proofs before finalizing them. To maintain the generation-verification gap as the generator becomes stronger, we propose to scale verification compute to automatically label new hard-to-verify proofs, creating training data to further improve the verifier. Our resulting model, DeepSeekMath-V2, demonstrates strong theorem-proving capabilities, achieving gold-level scores on IMO 2025 and CMO 2024 and a near-perfect 118/120 on Putnam 2024 with scaled test-time compute.

Developing multi-turn interactive tool-use agents is challenging because real-world user needs are often complex and ambiguous, yet agents must execute deterministic actions to satisfy them. To address this gap, we introduce CoVe (Constraint-Verification), a post-training data synthesis framework designed for training interactive tool-use agents while ensuring both data complexity and correctness. CoVe begins by defining explicit task constraints, which serve a dual role: they guide the generation of complex trajectories and act as deterministic verifiers for assessing trajectory quality. This enables the creation of high-quality training trajectories for supervised fine-tuning (SFT) and the derivation of accurate reward signals for reinforcement learning (RL). Our evaluation on the challenging τ^2-bench benchmark demonstrates the effectiveness of the framework. Notably, our compact CoVe-4B model achieves success rates of 43.0\% and 59.4\% in the Airline and Retail domains, respectively; its overall performance significantly outperforms strong baselines of similar scale and remains competitive with models up to 17times its size. These results indicate that CoVe provides an effective and efficient pathway for synthesizing training data for state-of-the-art interactive tool-use agents. To support future research, we open-source our code, trained model, and the full set of 12K high-quality trajectories used for training.

Agents powered by large language models (LLMs) are increasingly adopted in the software industry, contributing code as collaborators or even autonomous developers. As their presence grows, it becomes important to assess the current boundaries of their coding abilities. Existing agentic coding benchmarks, however, cover a limited task scope, e.g., bug fixing within a single pull request (PR), and often rely on non-executable evaluations or lack an automated approach for continually updating the evaluation coverage. To address such issues, we propose FeatureBench, a benchmark designed to evaluate agentic coding performance in end-to-end, feature-oriented software development. FeatureBench incorporates an execution-based evaluation protocol and a scalable test-driven method that automatically derives tasks from code repositories with minimal human effort. By tracing from unit tests along a dependency graph, our approach can identify feature-level coding tasks spanning multiple commits and PRs scattered across the development timeline, while ensuring the proper functioning of other features after the separation. Using this framework, we curated 200 challenging evaluation tasks and 3825 executable environments from 24 open-source repositories in the first version of our benchmark. Empirical evaluation reveals that the state-of-the-art agentic model, such as Claude 4.5 Opus, which achieves a 74.4% resolved rate on SWE-bench, succeeds on only 11.0% of tasks, opening new opportunities for advancing agentic coding. Moreover, benefiting from our automated task collection toolkit, FeatureBench can be easily scaled and updated over time to mitigate data leakage. The inherent verifiability of constructed environments also makes our method potentially valuable for agent training.

Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their potential to leverage embedded scientific knowledge for hypothesis generation. However, evaluating the true discovery capabilities of these methods remains challenging, as existing benchmarks often rely on common equations that are susceptible to memorization by LLMs, leading to inflated performance metrics that do not reflect discovery. In this paper, we introduce LLM-SRBench, a comprehensive benchmark with 239 challenging problems across four scientific domains specifically designed to evaluate LLM-based scientific equation discovery methods while preventing trivial memorization. Our benchmark comprises two main categories: LSR-Transform, which transforms common physical models into less common mathematical representations to test reasoning beyond memorized forms, and LSR-Synth, which introduces synthetic, discovery-driven problems requiring data-driven reasoning. Through extensive evaluation of several state-of-the-art methods, using both open and closed LLMs, we find that the best-performing system so far achieves only 31.5% symbolic accuracy. These findings highlight the challenges of scientific equation discovery, positioning LLM-SRBench as a valuable resource for future research.

Achieving optimal performance of video diffusion transformers within given data and compute budget is crucial due to their high training costs. This necessitates precisely determining the optimal model size and training hyperparameters before large-scale training. While scaling laws are employed in language models to predict performance, their existence and accurate derivation in visual generation models remain underexplored. In this paper, we systematically analyze scaling laws for video diffusion transformers and confirm their presence. Moreover, we discover that, unlike language models, video diffusion models are more sensitive to learning rate and batch size, two hyperparameters often not precisely modeled. To address this, we propose a new scaling law that predicts optimal hyperparameters for any model size and compute budget. Under these optimal settings, we achieve comparable performance and reduce inference costs by 40.1% compared to conventional scaling methods, within a compute budget of 1e10 TFlops. Furthermore, we establish a more generalized and precise relationship among validation loss, any model size, and compute budget. This enables performance prediction for non-optimal model sizes, which may also be appealed under practical inference cost constraints, achieving a better trade-off.

Reinforcement learning (RL) is frequently employed in fine-tuning large language models (LMs), such as GPT-3, to penalize them for undesirable features of generated sequences, such as offensiveness, social bias, harmfulness or falsehood. The RL formulation involves treating the LM as a policy and updating it to maximise the expected value of a reward function which captures human preferences, such as non-offensiveness. In this paper, we analyze challenges associated with treating a language model as an RL policy and show how avoiding those challenges requires moving beyond the RL paradigm. We start by observing that the standard RL approach is flawed as an objective for fine-tuning LMs because it leads to distribution collapse: turning the LM into a degenerate distribution. Then, we analyze KL-regularised RL, a widely used recipe for fine-tuning LMs, which additionally constrains the fine-tuned LM to stay close to its original distribution in terms of Kullback-Leibler (KL) divergence. We show that KL-regularised RL is equivalent to variational inference: approximating a Bayesian posterior which specifies how to update a prior LM to conform with evidence provided by the reward function. We argue that this Bayesian inference view of KL-regularised RL is more insightful than the typically employed RL perspective. The Bayesian inference view explains how KL-regularised RL avoids the distribution collapse problem and offers a first-principles derivation for its objective. While this objective happens to be equivalent to RL (with a particular choice of parametric reward), there exist other objectives for fine-tuning LMs which are no longer equivalent to RL. That observation leads to a more general point: RL is not an adequate formal framework for problems such as fine-tuning language models. These problems are best viewed as Bayesian inference: approximating a pre-defined target distribution.

Despite significant advances in optimizers for training, most research works use common scheduler choices like Cosine or exponential decay. In this paper, we study GreedyLR, a novel scheduler that adaptively adjusts the learning rate during training based on the current loss. To validate the effectiveness of our proposed scheduler, we conduct experiments on several NLP, CV, and LLM tasks with up to 7B parameters, including both fine-tuning and pre-training experiments. The results show that our approach outperforms several state-of-the-art schedulers in terms of accuracy, speed, and convergence. We also provide a theoretical analysis of the GreedyLR algorithm, including a proof of convergence and derivation of the optimal scaling factor F that maximizes the convergence rate, along with experiments to show robustness of the algorithm to realistic noisy landscapes. Our scheduler is easy to implement, computationally efficient, and could be considered a good default scheduler for training.

Classical state estimation algorithms rely on predefined target's state-space model, which complicates model derivation and limits adaptability when system dynamics change. Neural network based estimators offer a data-driven alternative, but rarely fuse classical estimation theory into their structure and demand large, pre-computed training sets. To overcome these limitations, we propose a unified state-space structure without target's state-space model and treats both the input-layer activations and all network weights as latent states to be estimated online. We instantiate this nonlinear model with three canonical estimators-the extended Kalman estimator, the unscented Kalman estimator, and the particle estimator to simulate different neural network and demonstrate its generality. We then benchmark our approach against seven leading neural network estimators across three representative scenarios. Results show that our neural network state-space estimators not only retain the robust learning capability, but also match or exceed the accuracy of both classical and pre-trained neural network methods. Code, data, and more result: github.com/ShineMinxing/PaperNNSSE.git

Motivated by the need to efficiently identify multiple candidates in high trial-and-error cost tasks such as drug discovery, we propose a near-optimal algorithm to identify all ε-best arms (i.e., those at most ε worse than the optimum). Specifically, we introduce LinFACT, an algorithm designed to optimize the identification of all ε-best arms in linear bandits. We establish a novel information-theoretic lower bound on the sample complexity of this problem and demonstrate that LinFACT achieves instance optimality by matching this lower bound up to a logarithmic factor. A key ingredient of our proof is to integrate the lower bound directly into the scaling process for upper bound derivation, determining the termination round and thus the sample complexity. We also extend our analysis to settings with model misspecification and generalized linear models. Numerical experiments, including synthetic and real drug discovery data, demonstrate that LinFACT identifies more promising candidates with reduced sample complexity, offering significant computational efficiency and accelerating early-stage exploratory experiments.

Large Language Model (LLM)-based agents increasingly interact, collaborate, and delegate tasks to one another autonomously with minimal human interaction. Industry guidelines for agentic system governance emphasize the need for users to maintain comprehensive control over their agents, mitigating potential damage from malicious agents. Several proposed agentic system designs address agent identity, authorization, and delegation, but remain purely theoretical, without concrete implementation and evaluation. Most importantly, they do not provide user-controlled agent management. To address this gap, we propose SAGA, a scalable Security Architecture for Governing Agentic systems, that offers user oversight over their agents' lifecycle. In our design, users register their agents with a central entity, the Provider, that maintains agent contact information, user-defined access control policies, and helps agents enforce these policies on inter-agent communication. We introduce a cryptographic mechanism for deriving access control tokens, that offers fine-grained control over an agent's interaction with other agents, providing formal security guarantees. We evaluate SAGA on several agentic tasks, using agents in different geolocations, and multiple on-device and cloud LLMs, demonstrating minimal performance overhead with no impact on underlying task utility in a wide range of conditions. Our architecture enables secure and trustworthy deployment of autonomous agents, accelerating the responsible adoption of this technology in sensitive environments.

In this paper, we present a general framework for the derivation of interesting finite combinatorial sums starting with certain classes of polynomial identities. The sums that can be derived involve products of binomial coefficients and also harmonic numbers and squared harmonic numbers. We apply the framework to discuss combinatorial sums associated with some prominent polynomial identities from the recent past.

Using Quadrics as the object representation has the benefits of both generality and closed-form projection derivation between image and world spaces. Although numerous constraints have been proposed for dual quadric reconstruction, we found that many of them are imprecise and provide minimal improvements to localization.After scrutinizing the existing constraints, we introduce a concise yet more precise convex hull-based algebraic constraint for object landmarks, which is applied to object reconstruction, frontend pose estimation, and backend bundle adjustment.This constraint is designed to fully leverage precise semantic segmentation, effectively mitigating mismatches between complex-shaped object contours and dual quadrics.Experiments on public datasets demonstrate that our approach is applicable to both monocular and RGB-D SLAM and achieves improved object mapping and localization than existing quadric SLAM methods. The implementation of our method is available at https://github.com/tiev-tongji/convexhull-based-algebraic-constraint.

Commuting families of contractions or contractive C_{0}-semigroups on Hilbert spaces often fail to admit power dilations resp, simultaneous unitary dilations which are themselves commutative (see [45, 13, 15]). In the non-commutative setting, Sz.-Nagy [60] and Bożejko [5] provided means to dilate arbitrary families of contractions. The present work extends these discrete-time results to families {T_{i}}_{i in I} of contractive C_{0}-semigroups. We refer to these dilations as continuous-time free unitary dilations and present three distinct approaches to obtain them: 1) An explicit derivation applicable to semigroups that arise as interpolations; 2) A full proof with an explicit construction, via the theory of co-generators à la Słociński [54, 55]; and 3) A second full proof based on the abstract structure of semigroups, which admits a natural reformulation to semigroups defined over topological free products of R_{geq 0} and leads to various residuality results. In 2) a IInd free dilation theorem for topologised index sets is developed via a reformulation of the Trotter--Kato theorem for co-generators. As an application of this we demonstrate how evolution families can be reduced to continuously monitored processes subject to temporal change, à la the quantum Zeno effect [22, 23, 24, 30, 37].

We study best arm identification (BAI) in linear bandits in the fixed-budget regime under differential privacy constraints, when the arm rewards are supported on the unit interval. Given a finite budget T and a privacy parameter varepsilon>0, the goal is to minimise the error probability in finding the arm with the largest mean after T sampling rounds, subject to the constraint that the policy of the decision maker satisfies a certain {\em varepsilon-differential privacy} (varepsilon-DP) constraint. We construct a policy satisfying the varepsilon-DP constraint (called {\sc DP-BAI}) by proposing the principle of {\em maximum absolute determinants}, and derive an upper bound on its error probability. Furthermore, we derive a minimax lower bound on the error probability, and demonstrate that the lower and the upper bounds decay exponentially in T, with exponents in the two bounds matching order-wise in (a) the sub-optimality gaps of the arms, (b) varepsilon, and (c) the problem complexity that is expressible as the sum of two terms, one characterising the complexity of standard fixed-budget BAI (without privacy constraints), and the other accounting for the varepsilon-DP constraint. Additionally, we present some auxiliary results that contribute to the derivation of the lower bound on the error probability. These results, we posit, may be of independent interest and could prove instrumental in proving lower bounds on error probabilities in several other bandit problems. Whereas prior works provide results for BAI in the fixed-budget regime without privacy constraints or in the fixed-confidence regime with privacy constraints, our work fills the gap in the literature by providing the results for BAI in the fixed-budget regime under the varepsilon-DP constraint.

Existing score distillation methods are sensitive to classifier-free guidance (CFG) scale: manifested as over-smoothness or instability at small CFG scales, while over-saturation at large ones. To explain and analyze these issues, we revisit the derivation of Score Distillation Sampling (SDS) and decipher existing score distillation with the Wasserstein Generative Adversarial Network (WGAN) paradigm. With the WGAN paradigm, we find that existing score distillation either employs a fixed sub-optimal discriminator or conducts incomplete discriminator optimization, resulting in the scale-sensitive issue. We propose the Adversarial Score Distillation (ASD), which maintains an optimizable discriminator and updates it using the complete optimization objective. Experiments show that the proposed ASD performs favorably in 2D distillation and text-to-3D tasks against existing methods. Furthermore, to explore the generalization ability of our WGAN paradigm, we extend ASD to the image editing task, which achieves competitive results. The project page and code are at https://github.com/2y7c3/ASD.

We propose GS-IR, a novel inverse rendering approach based on 3D Gaussian Splatting (GS) that leverages forward mapping volume rendering to achieve photorealistic novel view synthesis and relighting results. Unlike previous works that use implicit neural representations and volume rendering (e.g. NeRF), which suffer from low expressive power and high computational complexity, we extend GS, a top-performance representation for novel view synthesis, to estimate scene geometry, surface material, and environment illumination from multi-view images captured under unknown lighting conditions. There are two main problems when introducing GS to inverse rendering: 1) GS does not support producing plausible normal natively; 2) forward mapping (e.g. rasterization and splatting) cannot trace the occlusion like backward mapping (e.g. ray tracing). To address these challenges, our GS-IR proposes an efficient optimization scheme that incorporates a depth-derivation-based regularization for normal estimation and a baking-based occlusion to model indirect lighting. The flexible and expressive GS representation allows us to achieve fast and compact geometry reconstruction, photorealistic novel view synthesis, and effective physically-based rendering. We demonstrate the superiority of our method over baseline methods through qualitative and quantitative evaluations on various challenging scenes.

Personalized dialogue systems aim to endow the chatbot agent with more anthropomorphic traits for human-like interactions. Previous approaches have explored explicitly user profile modeling using text descriptions, implicit derivation of user embeddings, or utilizing handicraft prompts for ChatGPT-like models. However, textual personas are limited in describing multi-faceted attributes (e.g., language style, inner character nuances), implicit embedding suffers from personality sparsity, and handicraft prompts lack fine-grained and stable controllability. Hence, these approaches may struggle with complex personalized dialogue generation tasks that require generating controllable responses with multiple personal attributes. To this end, we propose \textsc{Miracle}, a novel personalized dialogue generation method through MultIple PeRsonal Attributes Control within Latent-Space Energy-based Models. ttributes Control within Latent-Space Energy-based Models. Specifically, our approach first disentangles complex personality into multi-faceted attributes. Subsequently, we employ a conditional variational auto-encoder to align with the dense personalized responses within a latent joint attribute space. We have also tailored a dedicated energy function and customized the ordinary differential equations sampling method to offer flexible attribute composition and precise attribute control. Extensive experiments demonstrate that Miracle outperforms several strong baselines in terms of personality controllability and response generation quality. Our dataset and code are available at https://github.com/LZY-the-boys/MIRACLE

Fair representation learning (FRL) is a popular class of methods aiming to produce fair classifiers via data preprocessing. Recent regulatory directives stress the need for FRL methods that provide practical certificates, i.e., provable upper bounds on the unfairness of any downstream classifier trained on preprocessed data, which directly provides assurance in a practical scenario. Creating such FRL methods is an important challenge that remains unsolved. In this work, we address that challenge and introduce FARE (Fairness with Restricted Encoders), the first FRL method with practical fairness certificates. FARE is based on our key insight that restricting the representation space of the encoder enables the derivation of practical guarantees, while still permitting favorable accuracy-fairness tradeoffs for suitable instantiations, such as one we propose based on fair trees. To produce a practical certificate, we develop and apply a statistical procedure that computes a finite sample high-confidence upper bound on the unfairness of any downstream classifier trained on FARE embeddings. In our comprehensive experimental evaluation, we demonstrate that FARE produces practical certificates that are tight and often even comparable with purely empirical results obtained by prior methods, which establishes the practical value of our approach.

Model order reduction has been extensively studied over the last two decades. Projection-based methods such as the Proper Orthogonal Decomposition and the Reduced Basis Method enjoy the important advantages of Galerkin methods in the derivation of the reduced problem, but are limited to linear data compression for which the reduced solution is sought as a linear combination of spatial modes. Nonlinear data compression must be used when the solution manifold is not embedded in a low-dimensional subspace. Early methods involve piecewise linear data compression, by constructing a dictionary of reduced-order models tailored to a partition of the solution manifold. In this work, we introduce the concept of optimal partition of the solution manifold in terms of normalized Kolmogorov widths, and prove that the optimal partitions can be found by means of a representative-based clustering algorithm using the sine dissimilarity measure on the solution manifold.

Many intellectual endeavors require mathematical problem solving, but this skill remains beyond the capabilities of computers. To measure this ability in machine learning models, we introduce MATH, a new dataset of 12,500 challenging competition mathematics problems. Each problem in MATH has a full step-by-step solution which can be used to teach models to generate answer derivations and explanations. To facilitate future research and increase accuracy on MATH, we also contribute a large auxiliary pretraining dataset which helps teach models the fundamentals of mathematics. Even though we are able to increase accuracy on MATH, our results show that accuracy remains relatively low, even with enormous Transformer models. Moreover, we find that simply increasing budgets and model parameter counts will be impractical for achieving strong mathematical reasoning if scaling trends continue. While scaling Transformers is automatically solving most other text-based tasks, scaling is not currently solving MATH. To have more traction on mathematical problem solving we will likely need new algorithmic advancements from the broader research community.

Subword tokenization has become the de-facto standard for tokenization, although comparative evaluations of subword vocabulary quality across languages are scarce. Existing evaluation studies focus on the effect of a tokenization algorithm on the performance in downstream tasks, or on engineering criteria such as the compression rate. We present a new evaluation paradigm that focuses on the cognitive plausibility of subword tokenization. We analyze the correlation of the tokenizer output with the response time and accuracy of human performance on a lexical decision task. We compare three tokenization algorithms across several languages and vocabulary sizes. Our results indicate that the UnigramLM algorithm yields less cognitively plausible tokenization behavior and a worse coverage of derivational morphemes, in contrast with prior work.

Linear relaxation based perturbation analysis (LiRPA) for neural networks, which computes provable linear bounds of output neurons given a certain amount of input perturbation, has become a core component in robustness verification and certified defense. The majority of LiRPA-based methods focus on simple feed-forward networks and need particular manual derivations and implementations when extended to other architectures. In this paper, we develop an automatic framework to enable perturbation analysis on any neural network structures, by generalizing existing LiRPA algorithms such as CROWN to operate on general computational graphs. The flexibility, differentiability and ease of use of our framework allow us to obtain state-of-the-art results on LiRPA based certified defense on fairly complicated networks like DenseNet, ResNeXt and Transformer that are not supported by prior works. Our framework also enables loss fusion, a technique that significantly reduces the computational complexity of LiRPA for certified defense. For the first time, we demonstrate LiRPA based certified defense on Tiny ImageNet and Downscaled ImageNet where previous approaches cannot scale to due to the relatively large number of classes. Our work also yields an open-source library for the community to apply LiRPA to areas beyond certified defense without much LiRPA expertise, e.g., we create a neural network with a probably flat optimization landscape by applying LiRPA to network parameters. Our opensource library is available at https://github.com/KaidiXu/auto_LiRPA.