Daily Papers

The rising computational and energy demands of deep neural networks (DNNs), driven largely by backpropagation (BP), challenge sustainable AI development. This paper rigorously investigates three BP-free training methods: the Forward-Forward (FF), Cascaded-Forward (CaFo), and Mono-Forward (MF) algorithms, tracing their progression from foundational concepts to a demonstrably superior solution. A robust comparative framework was established: each algorithm was implemented on its native architecture (MLPs for FF and MF, a CNN for CaFo) and benchmarked against an equivalent BP-trained model. Hyperparameters were optimized with Optuna, and consistent early stopping criteria were applied based on validation performance, ensuring all models were optimally tuned before comparison. Results show that MF not only competes with but consistently surpasses BP in classification accuracy on its native MLPs. Its superior generalization stems from converging to a more favorable minimum in the validation loss landscape, challenging the assumption that global optimization is required for state-of-the-art results. Measured at the hardware level using the NVIDIA Management Library (NVML) API, MF reduces energy consumption by up to 41% and shortens training time by up to 34%, translating to a measurably smaller carbon footprint as estimated by CodeCarbon. Beyond this primary result, we present a hardware-level analysis that explains the efficiency gains: exposing FF's architectural inefficiencies, validating MF's computationally lean design, and challenging the assumption that all BP-free methods are inherently more memory-efficient. By documenting the evolution from FF's conceptual groundwork to MF's synthesis of accuracy and sustainability, this work offers a clear, data-driven roadmap for future energy-efficient deep learning.

Using the weights of trained Neural Network (NN) models as data modality has recently gained traction as a research field - dubbed Weight Space Learning (WSL). Multiple recent works propose WSL methods to analyze models, evaluate methods, or synthesize weights. Weight space learning methods require populations of trained models as datasets for development and evaluation. However, existing collections of models - called `model zoos' - are unstructured or follow a rudimentary definition of diversity. In parallel, work rooted in statistical physics has identified phases and phase transitions in NN models. Models are homogeneous within the same phase but qualitatively differ from one phase to another. We combine the idea of `model zoos' with phase information to create a controlled notion of diversity in populations. We introduce 12 large-scale zoos that systematically cover known phases and vary over model architecture, size, and datasets. These datasets cover different modalities, such as computer vision, natural language processing, and scientific ML. For every model, we compute loss landscape metrics and validate full coverage of the phases. With this dataset, we provide the community with a resource with a wide range of potential applications for WSL and beyond. Evidence suggests the loss landscape phase plays a role in applications such as model training, analysis, or sparsification. We demonstrate this in an exploratory study of the downstream methods like transfer learning or model weights averaging.

Single-source domain generalization attempts to learn a model on a source domain and deploy it to unseen target domains. Limiting access only to source domain data imposes two key challenges - how to train a model that can generalize and how to verify that it does. The standard practice of validation on the training distribution does not accurately reflect the model's generalization ability, while validation on the test distribution is a malpractice to avoid. In this work, we construct an independent validation set by transforming source domain images with a comprehensive list of augmentations, covering a broad spectrum of potential distribution shifts in target domains. We demonstrate a high correlation between validation and test performance for multiple methods and across various datasets. The proposed validation achieves a relative accuracy improvement over the standard validation equal to 15.4% or 1.6% when used for method selection or learning rate tuning, respectively. Furthermore, we introduce a novel family of methods that increase the shape bias through enhanced edge maps. To benefit from the augmentations during training and preserve the independence of the validation set, a k-fold validation process is designed to separate the augmentation types used in training and validation. The method that achieves the best performance on the augmented validation is selected from the proposed family. It achieves state-of-the-art performance on various standard benchmarks. Code at: https://github.com/NikosEfth/crafting-shifts

Differentiable Architecture Search (DARTS) has attracted a lot of attention due to its simplicity and small search costs achieved by a continuous relaxation and an approximation of the resulting bi-level optimization problem. However, DARTS does not work robustly for new problems: we identify a wide range of search spaces for which DARTS yields degenerate architectures with very poor test performance. We study this failure mode and show that, while DARTS successfully minimizes validation loss, the found solutions generalize poorly when they coincide with high validation loss curvature in the architecture space. We show that by adding one of various types of regularization we can robustify DARTS to find solutions with less curvature and better generalization properties. Based on these observations, we propose several simple variations of DARTS that perform substantially more robustly in practice. Our observations are robust across five search spaces on three image classification tasks and also hold for the very different domains of disparity estimation (a dense regression task) and language modelling.

In today's heavily overparameterized models, the value of the training loss provides few guarantees on model generalization ability. Indeed, optimizing only the training loss value, as is commonly done, can easily lead to suboptimal model quality. Motivated by prior work connecting the geometry of the loss landscape and generalization, we introduce a novel, effective procedure for instead simultaneously minimizing loss value and loss sharpness. In particular, our procedure, Sharpness-Aware Minimization (SAM), seeks parameters that lie in neighborhoods having uniformly low loss; this formulation results in a min-max optimization problem on which gradient descent can be performed efficiently. We present empirical results showing that SAM improves model generalization across a variety of benchmark datasets (e.g., CIFAR-10, CIFAR-100, ImageNet, finetuning tasks) and models, yielding novel state-of-the-art performance for several. Additionally, we find that SAM natively provides robustness to label noise on par with that provided by state-of-the-art procedures that specifically target learning with noisy labels. We open source our code at https://github.com/google-research/sam.

Real-world datasets exhibit imbalances of varying types and degrees. Several techniques based on re-weighting and margin adjustment of loss are often used to enhance the performance of neural networks, particularly on minority classes. In this work, we analyze the class-imbalanced learning problem by examining the loss landscape of neural networks trained with re-weighting and margin-based techniques. Specifically, we examine the spectral density of Hessian of class-wise loss, through which we observe that the network weights converge to a saddle point in the loss landscapes of minority classes. Following this observation, we also find that optimization methods designed to escape from saddle points can be effectively used to improve generalization on minority classes. We further theoretically and empirically demonstrate that Sharpness-Aware Minimization (SAM), a recent technique that encourages convergence to a flat minima, can be effectively used to escape saddle points for minority classes. Using SAM results in a 6.2\% increase in accuracy on the minority classes over the state-of-the-art Vector Scaling Loss, leading to an overall average increase of 4\% across imbalanced datasets. The code is available at: https://github.com/val-iisc/Saddle-LongTail.

Deep neural networks are highly performant, but might base their decision on spurious or background features that co-occur with certain classes, which can hurt generalization. To mitigate this issue, the usage of 'model guidance' has gained popularity recently: for this, models are guided to be "right for the right reasons" by regularizing the models' explanations to highlight the right features. Experimental validation of these approaches has thus far however been limited to relatively simple and / or synthetic datasets. To gain a better understanding of which model-guiding approaches actually transfer to more challenging real-world datasets, in this work we conduct an in-depth evaluation across various loss functions, attribution methods, models, and 'guidance depths' on the PASCAL VOC 2007 and MS COCO 2014 datasets, and show that model guidance can sometimes even improve model performance. In this context, we further propose a novel energy loss, show its effectiveness in directing the model to focus on object features. We also show that these gains can be achieved even with a small fraction (e.g. 1%) of bounding box annotations, highlighting the cost effectiveness of this approach. Lastly, we show that this approach can also improve generalization under distribution shifts. Code will be made available.

Recent direct preference alignment algorithms (DPA), such as DPO, have shown great promise in aligning large language models to human preferences. While this has motivated the development of many new variants of the original DPO loss, understanding the differences between these recent proposals, as well as developing new DPA loss functions, remains difficult given the lack of a technical and conceptual framework for reasoning about the underlying semantics of these algorithms. In this paper, we attempt to remedy this by formalizing DPA losses in terms of discrete reasoning problems. Specifically, we ask: Given an existing DPA loss, can we systematically derive a symbolic expression that characterizes its semantics? How do the semantics of two losses relate to each other? We propose a novel formalism for characterizing preference losses for single model and reference model based approaches, and identify symbolic forms for a number of commonly used DPA variants. Further, we show how this formal view of preference learning sheds new light on both the size and structure of the DPA loss landscape, making it possible to not only rigorously characterize the relationships between recent loss proposals but also to systematically explore the landscape and derive new loss functions from first principles. We hope our framework and findings will help provide useful guidance to those working on human AI alignment.

Safety alignment is crucial to ensure that large language models (LLMs) behave in ways that align with human preferences and prevent harmful actions during inference. However, recent studies show that the alignment can be easily compromised through finetuning with only a few adversarially designed training examples. We aim to measure the risks in finetuning LLMs through navigating the LLM safety landscape. We discover a new phenomenon observed universally in the model parameter space of popular open-source LLMs, termed as "safety basin": random perturbations to model weights maintain the safety level of the original aligned model within its local neighborhood. However, outside this local region, safety is fully compromised, exhibiting a sharp, step-like drop. This safety basin contrasts sharply with the LLM capability landscape, where model performance peaks at the origin and gradually declines as random perturbation increases. Our discovery inspires us to propose the new VISAGE safety metric that measures the safety in LLM finetuning by probing its safety landscape. Visualizing the safety landscape of the aligned model enables us to understand how finetuning compromises safety by dragging the model away from the safety basin. The LLM safety landscape also highlights the system prompt's critical role in protecting a model, and that such protection transfers to its perturbed variants within the safety basin. These observations from our safety landscape research provide new insights for future work on LLM safety community. Our code is publicly available at https://github.com/ShengYun-Peng/llm-landscape.

While scaling laws provide a reliable methodology for predicting train loss across compute scales for a single data distribution, less is known about how these predictions should change as we change the distribution. In this paper, we derive a strategy for predicting one loss from another and apply it to predict across different pre-training datasets and from pre-training data to downstream task data. Our predictions extrapolate well even at 20x the largest FLOP budget used to fit the curves. More precisely, we find that there are simple shifted power law relationships between (1) the train losses of two models trained on two separate datasets when the models are paired by training compute (train-to-train), (2) the train loss and the test loss on any downstream distribution for a single model (train-to-test), and (3) the test losses of two models trained on two separate train datasets (test-to-test). The results hold up for pre-training datasets that differ substantially (some are entirely code and others have no code at all) and across a variety of downstream tasks. Finally, we find that in some settings these shifted power law relationships can yield more accurate predictions than extrapolating single-dataset scaling laws.

Large foundation models are typically trained on data from multiple domains, with the data mixture--the proportion of each domain used--playing a critical role in model performance. The standard approach to selecting this mixture relies on trial and error, which becomes impractical for large-scale pretraining. We propose a systematic method to determine the optimal data mixture for any target domain using scaling laws. Our approach accurately predicts the loss of a model of size N trained with D tokens and a specific domain weight vector h. We validate the universality of these scaling laws by demonstrating their predictive power in three distinct and large-scale settings: large language model (LLM), native multimodal model (NMM), and large vision models (LVM) pretraining. We further show that these scaling laws can extrapolate to new data mixtures and across scales: their parameters can be accurately estimated using a few small-scale training runs, and used to estimate the performance at larger scales and unseen domain weights. The scaling laws allow to derive the optimal domain weights for any target domain under a given training budget (N,D), providing a principled alternative to costly trial-and-error methods.

We consider the problem of Learning from Label Proportions (LLP), a weakly supervised classification setup where instances are grouped into "bags", and only the frequency of class labels at each bag is available. Albeit, the objective of the learner is to achieve low task loss at an individual instance level. Here we propose Easyllp: a flexible and simple-to-implement debiasing approach based on aggregate labels, which operates on arbitrary loss functions. Our technique allows us to accurately estimate the expected loss of an arbitrary model at an individual level. We showcase the flexibility of our approach by applying it to popular learning frameworks, like Empirical Risk Minimization (ERM) and Stochastic Gradient Descent (SGD) with provable guarantees on instance level performance. More concretely, we exhibit a variance reduction technique that makes the quality of LLP learning deteriorate only by a factor of k (k being bag size) in both ERM and SGD setups, as compared to full supervision. Finally, we validate our theoretical results on multiple datasets demonstrating our algorithm performs as well or better than previous LLP approaches in spite of its simplicity.

For many evaluation metrics commonly used as benchmarks for unconditional image generation, trivially memorizing the training set attains a better score than models which are considered state-of-the-art; we consider this problematic. We clarify a necessary condition for an evaluation metric not to behave this way: estimating the function must require a large sample from the model. In search of such a metric, we turn to neural network divergences (NNDs), which are defined in terms of a neural network trained to distinguish between distributions. The resulting benchmarks cannot be "won" by training set memorization, while still being perceptually correlated and computable only from samples. We survey past work on using NNDs for evaluation and implement an example black-box metric based on these ideas. Through experimental validation we show that it can effectively measure diversity, sample quality, and generalization.

Since compute grows much faster than web text available for language model pre-training, we ask how one should approach pre-training under fixed data and no compute constraints. We first show that existing data-constrained approaches of increasing epoch count and parameter count eventually overfit, and we significantly improve upon such recipes by properly tuning regularization, finding that the optimal weight decay is 30times larger than standard practice. Since our regularized recipe monotonically decreases loss following a simple power law in parameter count, we estimate its best possible performance via the asymptote of its scaling law rather than the performance at a fixed compute budget. We then identify that ensembling independently trained models achieves a significantly lower loss asymptote than the regularized recipe. Our best intervention combining epoching, regularization, parameter scaling, and ensemble scaling achieves an asymptote at 200M tokens using 5.17times less data than our baseline, and our data scaling laws predict that this improvement persists at higher token budgets. We find that our data efficiency gains can be realized at much smaller parameter counts as we can distill an ensemble into a student model that is 8times smaller and retains 83% of the ensembling benefit. Finally, our interventions designed for validation loss generalize to downstream benchmarks, achieving a 9% improvement for pre-training evals and a 17.5times data efficiency improvement over continued pre-training on math mid-training data. Our results show that simple algorithmic improvements can enable significantly more data-efficient pre-training in a compute-rich future.

Large datasets have become commonplace in NLP research. However, the increased emphasis on data quantity has made it challenging to assess the quality of data. We introduce Data Maps---a model-based tool to characterize and diagnose datasets. We leverage a largely ignored source of information: the behavior of the model on individual instances during training (training dynamics) for building data maps. This yields two intuitive measures for each example---the model's confidence in the true class, and the variability of this confidence across epochs---obtained in a single run of training. Experiments across four datasets show that these model-dependent measures reveal three distinct regions in the data map, each with pronounced characteristics. First, our data maps show the presence of "ambiguous" regions with respect to the model, which contribute the most towards out-of-distribution generalization. Second, the most populous regions in the data are "easy to learn" for the model, and play an important role in model optimization. Finally, data maps uncover a region with instances that the model finds "hard to learn"; these often correspond to labeling errors. Our results indicate that a shift in focus from quantity to quality of data could lead to robust models and improved out-of-distribution generalization.

Empirical risk minimization (ERM) with a computationally feasible surrogate loss is a widely accepted approach for classification. Notably, the convexity and calibration (CC) properties of a loss function ensure consistency of ERM in maximizing accuracy, thereby offering a wide range of options for surrogate losses. In this article, we propose a novel ensemble method, namely EnsLoss, which extends the ensemble learning concept to combine loss functions within the ERM framework. A key feature of our method is the consideration on preserving the "legitimacy" of the combined losses, i.e., ensuring the CC properties. Specifically, we first transform the CC conditions of losses into loss-derivatives, thereby bypassing the need for explicit loss functions and directly generating calibrated loss-derivatives. Therefore, inspired by Dropout, EnsLoss enables loss ensembles through one training process with doubly stochastic gradient descent (i.e., random batch samples and random calibrated loss-derivatives). We theoretically establish the statistical consistency of our approach and provide insights into its benefits. The numerical effectiveness of EnsLoss compared to fixed loss methods is demonstrated through experiments on a broad range of 14 OpenML tabular datasets and 46 image datasets with various deep learning architectures. Python repository and source code are available on GitHub at https://github.com/statmlben/ensloss.

Many evaluation metrics can be used to assess the performance of models in binary classification tasks. However, most of them are derived from a confusion matrix in a non-differentiable form, making it very difficult to generate a differentiable loss function that could directly optimize them. The lack of solutions to bridge this challenge not only hinders our ability to solve difficult tasks, such as imbalanced learning, but also requires the deployment of computationally expensive hyperparameter search processes in model selection. In this paper, we propose a general-purpose approach that transforms any confusion matrix-based metric into a loss function, AnyLoss, that is available in optimization processes. To this end, we use an approximation function to make a confusion matrix represented in a differentiable form, and this approach enables any confusion matrix-based metric to be directly used as a loss function. The mechanism of the approximation function is provided to ensure its operability and the differentiability of our loss functions is proved by suggesting their derivatives. We conduct extensive experiments under diverse neural networks with many datasets, and we demonstrate their general availability to target any confusion matrix-based metrics. Our method, especially, shows outstanding achievements in dealing with imbalanced datasets, and its competitive learning speed, compared to multiple baseline models, underscores its efficiency.

Existing research on Domain Robustness (DR) suffers from disparate setups, lack of evaluation task variety, and reliance on challenge sets. In this paper, we pose a fundamental question: What is the state of affairs of the DR challenge in the era of Large Language Models (LLMs)? To this end, we construct a DR benchmark comprising diverse NLP tasks, including sentence and token-level classification, QA, and generation, each task consists of several domains. We explore the DR challenge of fine-tuned and few-shot learning models in natural domain shift settings and devise two diagnostic metrics of Out-of-Distribution (OOD) performance degradation: The commonly used Source Drop (SD) and the overlooked Target Drop (TD). Our findings reveal important insights: First, despite their capabilities, zero-to-few shot LLMs and fine-tuning approaches still fail to meet satisfactory performance in the OOD context; Second, TD approximates better than SD the average OOD degradation; Third, in a significant proportion of domain shifts, either SD or TD is positive, but not both, and therefore disregarding one can lead to incorrect DR conclusions.

We develop techniques to quantify the degree to which a given (training or testing) example is an outlier in the underlying distribution. We evaluate five methods to score examples in a dataset by how well-represented the examples are, for different plausible definitions of "well-represented", and apply these to four common datasets: MNIST, Fashion-MNIST, CIFAR-10, and ImageNet. Despite being independent approaches, we find all five are highly correlated, suggesting that the notion of being well-represented can be quantified. Among other uses, we find these methods can be combined to identify (a) prototypical examples (that match human expectations); (b) memorized training examples; and, (c) uncommon submodes of the dataset. Further, we show how we can utilize our metrics to determine an improved ordering for curriculum learning, and impact adversarial robustness. We release all metric values on training and test sets we studied.

Inspired by recent advancements in large language models (LLMs) for Natural Language Processing (NLP), there has been a surge in research focused on developing foundational models for time series forecasting. One approach involves training LLM architectures on tokenized time series data using cross-entropy loss. Although this method has demonstrated promising results, cross-entropy loss is primarily designed for classification tasks and does not account for the distance between classes. To address this limitation, we propose using the Wasserstein loss for such architectures. To validate our approach, we fine-tuned a foundational time series model on 22 zero-shot datasets, comparing the performance of cross-entropy loss with that of Wasserstein loss. Our results demonstrate that replacing cross-entropy loss with Wasserstein loss significantly improves point estimation.

Answer verification is crucial not only for evaluating large language models (LLMs) by matching their unstructured outputs against standard answers, but also serves as the reward model to guide LLM optimization. Most evaluation frameworks rely on regularized matching or employ general LLMs for answer verification, which demands extensive, repetitive customization for regex rules or evaluation prompts. Two fundamental limitations persist in current methodologies: 1) the absence of comprehensive benchmarks that systematically evaluate verification capabilities across different LLMs; and 2) the nascent stage of verifier development, where existing approaches lack both the robustness to handle complex edge cases and the generalizability across different domains. In this work, we develop CompassVerifier, an accurate and robust lightweight verifier model for evaluation and outcome reward. It demonstrates multi-domain competency spanning math, knowledge, and diverse reasoning tasks, with the capability to process various answer types, including multi-subproblems, formulas, and sequence answers, while effectively identifying abnormal/invalid responses. We introduce VerifierBench benchmark comprising model outputs collected from multiple data sources, augmented through manual analysis of metaerror patterns to enhance CompassVerifier. We anticipate that CompassVerifier and VerifierBench will facilitate answer verification, evaluation protocols, and reinforcement learning research. Code and dataset are available at https://github.com/open-compass/CompassVerifier.

When training or evaluating deep learning models, two essential parts are picking the proper loss function and deciding on performance metrics. In this paper, we provide a comprehensive overview of the most common loss functions and metrics used across many different types of deep learning tasks, from general tasks such as regression and classification to more specific tasks in Computer Vision and Natural Language Processing. We introduce the formula for each loss and metric, discuss their strengths and limitations, and describe how these methods can be applied to various problems within deep learning. This work can serve as a reference for researchers and practitioners in the field, helping them make informed decisions when selecting the most appropriate loss function and performance metrics for their deep learning projects.

We present an efficient method of utilizing pretrained language models, where we learn selective binary masks for pretrained weights in lieu of modifying them through finetuning. Extensive evaluations of masking BERT and RoBERTa on a series of NLP tasks show that our masking scheme yields performance comparable to finetuning, yet has a much smaller memory footprint when several tasks need to be inferred simultaneously. Through intrinsic evaluations, we show that representations computed by masked language models encode information necessary for solving downstream tasks. Analyzing the loss landscape, we show that masking and finetuning produce models that reside in minima that can be connected by a line segment with nearly constant test accuracy. This confirms that masking can be utilized as an efficient alternative to finetuning.

Scaling law principles indicate a power-law correlation between loss and variables such as model size, dataset size, and computational resources utilized during training. These principles play a vital role in optimizing various aspects of model pre-training, ultimately contributing to the success of large language models such as GPT-4, Llama and Gemini. However, the original scaling law paper by OpenAI did not disclose the complete details necessary to derive the precise scaling law formulas, and their conclusions are only based on models containing up to 1.5 billion parameters. Though some subsequent works attempt to unveil these details and scale to larger models, they often neglect the training dependency of important factors such as the learning rate, context length and batch size, leading to their failure to establish a reliable formula for predicting the test loss trajectory. In this technical report, we confirm that the scaling law formulations proposed in the original OpenAI paper remain valid when scaling the model size up to 33 billion, but the constant coefficients in these formulas vary significantly with the experiment setup. We meticulously identify influential factors and provide transparent, step-by-step instructions to estimate all constant terms in scaling-law formulas by training on models with only 1M~60M parameters. Using these estimated formulas, we showcase the capability to accurately predict various attributes for models with up to 33B parameters before their training, including (1) the minimum possible test loss; (2) the minimum required training steps and processed tokens to achieve a specific loss; (3) the critical batch size with an optimal time/computation trade-off at any loss value; and (4) the complete test loss trajectory with arbitrary batch size.

Language modeling on large-scale datasets leads to impressive performance gains on various downstream language tasks. The validation pre-training loss (or perplexity in autoregressive language modeling) is often used as the evaluation metric when developing language models since the pre-training loss tends to be well-correlated with downstream performance (which is itself difficult to evaluate comprehensively). Contrary to this conventional wisdom, this paper shows that 1) pre-training loss cannot fully explain downstream performance and 2) flatness of the model is well-correlated with downstream performance where pre-training loss is not. On simplified datasets, we identify three ways to produce models with the same (statistically optimal) pre-training loss but different downstream performance: continue pre-training after convergence, increasing the model size, and changing the training algorithm. These experiments demonstrate the existence of implicit bias of pre-training algorithms/optimizers -- among models with the same minimal pre-training loss, they implicitly prefer more transferable ones. Toward understanding this implicit bias, we prove that SGD with standard mini-batch noise implicitly prefers flatter minima in language models, and empirically observe a strong correlation between flatness and downstream performance among models with the same minimal pre-training loss. We also prove in a synthetic language setting that among the models with the minimal pre-training loss, the flattest model transfers to downstream tasks.

Machine learning models always make a prediction, even when it is likely to be inaccurate. This behavior should be avoided in many decision support applications, where mistakes can have severe consequences. Albeit already studied in 1970, machine learning with rejection recently gained interest. This machine learning subfield enables machine learning models to abstain from making a prediction when likely to make a mistake. This survey aims to provide an overview on machine learning with rejection. We introduce the conditions leading to two types of rejection, ambiguity and novelty rejection, which we carefully formalize. Moreover, we review and categorize strategies to evaluate a model's predictive and rejective quality. Additionally, we define the existing architectures for models with rejection and describe the standard techniques for learning such models. Finally, we provide examples of relevant application domains and show how machine learning with rejection relates to other machine learning research areas.

Large language models (LLMs) can be leveraged to help with writing formulas in spreadsheets, but resources on these formulas are scarce, impacting both the base performance of pre-trained models and limiting the ability to fine-tune them. Given a corpus of formulas, we can use a(nother) model to generate synthetic natural language utterances for fine-tuning. However, it is important to validate whether the NL generated by the LLM is indeed accurate to be beneficial for fine-tuning. In this paper, we provide empirical results on the impact of validating these synthetic training examples with surrogate objectives that evaluate the accuracy of the synthetic annotations. We demonstrate that validation improves performance over raw data across four models (2 open and 2 closed weight). Interestingly, we show that although validation tends to prune more challenging examples, it increases the complexity of problems that models can solve after being fine-tuned on validated data.

Pretraining large language models is a complex endeavor influenced by multiple factors, including model architecture, data quality, training continuity, and hardware constraints. In this paper, we share insights gained from the experience of training DMaS-LLaMa-Lite, a fully open source, 1.7-billion-parameter, LLaMa-based model, on approximately 20 billion tokens of carefully curated data. We chronicle the full training trajectory, documenting how evolving validation loss levels and downstream benchmarks reflect transitions from incoherent text to fluent, contextually grounded output. Beyond standard quantitative metrics, we highlight practical considerations such as the importance of restoring optimizer states when resuming from checkpoints, and the impact of hardware changes on training stability and throughput. While qualitative evaluation provides an intuitive understanding of model improvements, our analysis extends to various performance benchmarks, demonstrating how high-quality data and thoughtful scaling enable competitive results with significantly fewer training tokens. By detailing these experiences and offering training logs, checkpoints, and sample outputs, we aim to guide future researchers and practitioners in refining their pretraining strategies. The training script is available on Github at https://github.com/McGill-DMaS/DMaS-LLaMa-Lite-Training-Code. The model checkpoints are available on Huggingface at https://huggingface.co/collections/McGill-DMaS/dmas-llama-lite-6761d97ba903f82341954ceb.

In the privacy-utility tradeoff of a model trained on benchmark language and vision tasks, remarkable improvements have been widely reported with the use of pretraining on publicly available data. This is in part due to the benefits of transfer learning, which is the standard motivation for pretraining in non-private settings. However, the stark contrast in the improvement achieved through pretraining under privacy compared to non-private settings suggests that there may be a deeper, distinct cause driving these gains. To explain this phenomenon, we hypothesize that the non-convex loss landscape of a model training necessitates an optimization algorithm to go through two phases. In the first, the algorithm needs to select a good "basin" in the loss landscape. In the second, the algorithm solves an easy optimization within that basin. The former is a harder problem to solve with private data, while the latter is harder to solve with public data due to a distribution shift or data scarcity. Guided by this intuition, we provide theoretical constructions that provably demonstrate the separation between private training with and without public pretraining. Further, systematic experiments on CIFAR10 and LibriSpeech provide supporting evidence for our hypothesis.

In this work, we investigate the implicit regularization induced by teacher-student learning dynamics in self-distillation. To isolate its effect, we describe a simple experiment where we consider teachers at random initialization instead of trained teachers. Surprisingly, when distilling a student into such a random teacher, we observe that the resulting model and its representations already possess very interesting characteristics; (1) we observe a strong improvement of the distilled student over its teacher in terms of probing accuracy. (2) The learned representations are data-dependent and transferable between different tasks but deteriorate strongly if trained on random inputs. (3) The student checkpoint contains sparse subnetworks, so-called lottery tickets, and lies on the border of linear basins in the supervised loss landscape. These observations have interesting consequences for several important areas in machine learning: (1) Self-distillation can work solely based on the implicit regularization present in the gradient dynamics without relying on any dark knowledge, (2) self-supervised learning can learn features even in the absence of data augmentation and (3) training dynamics during the early phase of supervised training do not necessarily require label information. Finally, we shed light on an intriguing local property of the loss landscape: the process of feature learning is strongly amplified if the student is initialized closely to the teacher. These results raise interesting questions about the nature of the landscape that have remained unexplored so far. Code is available at https://github.com/safelix/dinopl.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

When deploying large language models (LLMs), it is important to ensure that these models are not only capable, but also reliable. Many benchmarks have been created to track LLMs' growing capabilities, however there has been no similar focus on measuring their reliability. To understand the potential ramifications of this gap, we investigate how well current benchmarks quantify model reliability. We find that pervasive label errors can compromise these evaluations, obscuring lingering model failures and hiding unreliable behavior. Motivated by this gap in the evaluation of reliability, we then propose the concept of so-called platinum benchmarks, i.e., benchmarks carefully curated to minimize label errors and ambiguity. As a first attempt at constructing such benchmarks, we revise examples from fifteen existing popular benchmarks. We evaluate a wide range of models on these platinum benchmarks and find that, indeed, frontier LLMs still exhibit failures on simple tasks such as elementary-level math word problems. Analyzing these failures further reveals previously unidentified patterns of problems on which frontier models consistently struggle. We provide code at https://github.com/MadryLab/platinum-benchmarks

Scaling laws are useful guides for developing language models, but there are still gaps between current scaling studies and how language models are ultimately trained and evaluated. For instance, scaling is usually studied in the compute-optimal training regime (i.e., "Chinchilla optimal" regime); however, in practice, models are often over-trained to reduce inference costs. Moreover, scaling laws mostly predict loss on next-token prediction, but ultimately models are compared based on downstream task performance. In this paper, we address both shortcomings. To do so, we create a testbed of 104 models with 0.011B to 6.9B parameters trained with various numbers of tokens on three data distributions. First, we investigate scaling in the over-trained regime. We fit scaling laws that extrapolate in both the number of model parameters and the ratio of training tokens to parameters. This enables us to predict the validation loss of a 1.4B parameter, 900B token run (i.e., 32times over-trained) and a 6.9B parameter, 138B token runx2014each from experiments that take 300times less compute. Second, we relate the perplexity of a language model to its downstream task performance via a power law. We use this law to predict top-1 error averaged over downstream tasks for the two aforementioned models using experiments that take 20times less compute. Our experiments are available at https://github.com/mlfoundations/scaling.

Loss functions serve as the foundation of supervised learning and are often chosen prior to model development. To avoid potentially ad hoc choices of losses, statistical decision theory describes a desirable property for losses known as properness, which asserts that Bayes' rule is optimal. Recent works have sought to learn losses and models jointly. Existing methods do this by fitting an inverse canonical link function which monotonically maps R to [0,1] to estimate probabilities for binary problems. In this paper, we extend monotonicity to maps between R^{C-1} and the projected probability simplex Delta^{C-1} by using monotonicity of gradients of convex functions. We present {\sc LegendreTron} as a novel and practical method that jointly learns proper canonical losses and probabilities for multiclass problems. Tested on a benchmark of domains with up to 1,000 classes, our experimental results show that our method consistently outperforms the natural multiclass baseline under a t-test at 99% significance on all datasets with greater than 10 classes.

We propose a new long-context financial benchmark, FailSafeQA, designed to test the robustness and context-awareness of LLMs against six variations in human-interface interactions in LLM-based query-answer systems within finance. We concentrate on two case studies: Query Failure and Context Failure. In the Query Failure scenario, we perturb the original query to vary in domain expertise, completeness, and linguistic accuracy. In the Context Failure case, we simulate the uploads of degraded, irrelevant, and empty documents. We employ the LLM-as-a-Judge methodology with Qwen2.5-72B-Instruct and use fine-grained rating criteria to define and calculate Robustness, Context Grounding, and Compliance scores for 24 off-the-shelf models. The results suggest that although some models excel at mitigating input perturbations, they must balance robust answering with the ability to refrain from hallucinating. Notably, Palmyra-Fin-128k-Instruct, recognized as the most compliant model, maintained strong baseline performance but encountered challenges in sustaining robust predictions in 17% of test cases. On the other hand, the most robust model, OpenAI o3-mini, fabricated information in 41% of tested cases. The results demonstrate that even high-performing models have significant room for improvement and highlight the role of FailSafeQA as a tool for developing LLMs optimized for dependability in financial applications. The dataset is available at: https://huggingface.co/datasets/Writer/FailSafeQA

Loss explosions in training deep neural networks can nullify multi-million dollar training runs. Conventional monitoring metrics like weight and gradient norms are often lagging and ambiguous predictors, as their values vary dramatically across different models and even between layers of the same model, making it difficult to establish a unified standard for detecting impending failure. We introduce Spectral Alignment (SA), a novel, theoretically-grounded metric that monitors the distributional alignment between layer inputs and the principal singular vectors of weight matrices. We show that a collapse in the sign diversity of this alignment is a powerful early predictor of representational collapse and training divergence. Empirical results on language models demonstrate that monitoring the SA distribution provides a significantly earlier and clearer warning of loss explosions than traditional scalar metrics. SA's low computational overhead makes it a practical tool for safeguarding model training.

The objective of domain generalization (DG) is to enhance the transferability of the model learned from a source domain to unobserved domains. To prevent overfitting to a specific domain, Sharpness-Aware Minimization (SAM) reduces source domain's loss sharpness. Although SAM variants have delivered significant improvements in DG, we highlight that there's still potential for improvement in generalizing to unknown domains through the exploration on data space. This paper introduces an objective rooted in both parameter and data perturbed regions for domain generalization, coined Unknown Domain Inconsistency Minimization (UDIM). UDIM reduces the loss landscape inconsistency between source domain and unknown domains. As unknown domains are inaccessible, these domains are empirically crafted by perturbing instances from the source domain dataset. In particular, by aligning the loss landscape acquired in the source domain to the loss landscape of perturbed domains, we expect to achieve generalization grounded on these flat minima for the unknown domains. Theoretically, we validate that merging SAM optimization with the UDIM objective establishes an upper bound for the true objective of the DG task. In an empirical aspect, UDIM consistently outperforms SAM variants across multiple DG benchmark datasets. Notably, UDIM shows statistically significant improvements in scenarios with more restrictive domain information, underscoring UDIM's generalization capability in unseen domains. Our code is available at https://github.com/SJShin-AI/UDIM.

While language models have exceptional capabilities at text generation, they lack a natural inductive bias for emitting numbers and thus struggle in tasks involving reasoning over quantities, especially arithmetics. This has particular relevance in scientific datasets where combinations of text and numerical data are abundant. One fundamental limitation is the nature of the CE loss, which assumes a nominal (categorical) scale and thus cannot convey proximity between generated number tokens. As a remedy, we here present two versions of a number token loss. The first is based on an L_p loss between the ground truth token value and the weighted sum of the predicted class probabilities. The second loss minimizes the Wasserstein-1 distance between the distribution of the predicted output probabilities and the ground truth distribution. These regression-like losses can easily be added to any language model and extend the CE objective during training. We compare the proposed schemes on a mathematics dataset against existing tokenization, encoding, and decoding schemes for improving number representation in language models. Our results reveal a significant improvement in numerical accuracy when equipping a standard T5 model with the proposed loss schemes.

Cross-validation (CV) is one of the most popular tools for assessing and selecting predictive models. However, standard CV suffers from high computational cost when the number of folds is large. Recently, under the empirical risk minimization (ERM) framework, a line of works proposed efficient methods to approximate CV based on the solution of the ERM problem trained on the full dataset. However, in large-scale problems, it can be hard to obtain the exact solution of the ERM problem, either due to limited computational resources or due to early stopping as a way of preventing overfitting. In this paper, we propose a new paradigm to efficiently approximate CV when the ERM problem is solved via an iterative first-order algorithm, without running until convergence. Our new method extends existing guarantees for CV approximation to hold along the whole trajectory of the algorithm, including at convergence, thus generalizing existing CV approximation methods. Finally, we illustrate the accuracy and computational efficiency of our method through a range of empirical studies.

The conventional evaluation protocols on machine learning models rely heavily on a labeled, i.i.d-assumed testing dataset, which is not often present in real world applications. The Automated Model Evaluation (AutoEval) shows an alternative to this traditional workflow, by forming a proximal prediction pipeline of the testing performance without the presence of ground-truth labels. Despite its recent successes, the AutoEval frameworks still suffer from an overconfidence issue, substantial storage and computational cost. In that regard, we propose a novel measure -- Meta-Distribution Energy (MDE) -- that allows the AutoEval framework to be both more efficient and effective. The core of the MDE is to establish a meta-distribution statistic, on the information (energy) associated with individual samples, then offer a smoother representation enabled by energy-based learning. We further provide our theoretical insights by connecting the MDE with the classification loss. We provide extensive experiments across modalities, datasets and different architectural backbones to validate MDE's validity, together with its superiority compared with prior approaches. We also prove MDE's versatility by showing its seamless integration with large-scale models, and easy adaption to learning scenarios with noisy- or imbalanced- labels. Code and data are available: https://github.com/pengr/Energy_AutoEval

Two lines of work are taking the central stage in AI research. On the one hand, the community is making increasing efforts to build models that discard spurious correlations and generalize better in novel test environments. Unfortunately, the bitter lesson so far is that no proposal convincingly outperforms a simple empirical risk minimization baseline. On the other hand, large language models (LLMs) have erupted as algorithms able to learn in-context, generalizing on-the-fly to eclectic contextual circumstances that users enforce by means of prompting. In this paper, we argue that context is environment, and posit that in-context learning holds the key to better domain generalization. Via extensive theory and experiments, we show that paying attention to contextx2013x2013unlabeled examples as they arrivex2013x2013allows our proposed In-Context Risk Minimization (ICRM) algorithm to zoom-in on the test environment risk minimizer, leading to significant out-of-distribution performance improvements. From all of this, two messages are worth taking home. Researchers in domain generalization should consider environment as context, and harness the adaptive power of in-context learning. Researchers in LLMs should consider context as environment, to better structure data towards generalization.

We introduce FailureSensorIQ, a novel Multi-Choice Question-Answering (MCQA) benchmarking system designed to assess the ability of Large Language Models (LLMs) to reason and understand complex, domain-specific scenarios in Industry 4.0. Unlike traditional QA benchmarks, our system focuses on multiple aspects of reasoning through failure modes, sensor data, and the relationships between them across various industrial assets. Through this work, we envision a paradigm shift where modeling decisions are not only data-driven using statistical tools like correlation analysis and significance tests, but also domain-driven by specialized LLMs which can reason about the key contributors and useful patterns that can be captured with feature engineering. We evaluate the Industrial knowledge of over a dozen LLMs-including GPT-4, Llama, and Mistral-on FailureSensorIQ from different lens using Perturbation-Uncertainty-Complexity analysis, Expert Evaluation study, Asset-Specific Knowledge Gap analysis, ReAct agent using external knowledge-bases. Even though closed-source models with strong reasoning capabilities approach expert-level performance, the comprehensive benchmark reveals a significant drop in performance that is fragile to perturbations, distractions, and inherent knowledge gaps in the models. We also provide a real-world case study of how LLMs can drive the modeling decisions on 3 different failure prediction datasets related to various assets. We release: (a) expert-curated MCQA for various industrial assets, (b) FailureSensorIQ benchmark and Hugging Face leaderboard based on MCQA built from non-textual data found in ISO documents, and (c) LLMFeatureSelector, an LLM-based feature selection scikit-learn pipeline. The software is available at https://github.com/IBM/FailureSensorIQ.

Pretraining large language models (LLMs) on vast and heterogeneous datasets is crucial for achieving state-of-the-art performance across diverse downstream tasks. However, current training paradigms treat all samples equally, overlooking the importance or relevance of individual samples throughout the training process. Existing reweighting strategies, which primarily focus on group-level data importance, fail to leverage fine-grained instance-level information and do not adapt dynamically to individual sample importance as training progresses. In this paper, we introduce novel algorithms for dynamic, instance-level data reweighting aimed at improving both the efficiency and effectiveness of LLM pretraining. Our methods adjust the weight of each training sample based on its loss value in an online fashion, allowing the model to dynamically focus on more informative or important samples at the current training stage. In particular, our framework allows us to systematically devise reweighting strategies deprioritizing redundant or uninformative data, which we find tend to work best. Furthermore, we develop a new theoretical framework for analyzing the impact of loss-based reweighting on the convergence of gradient-based optimization, providing the first formal characterization of how these strategies affect convergence bounds. We empirically validate our approach across a spectrum of tasks, from pretraining 7B and 1.4B parameter LLMs to smaller-scale language models and linear regression problems, demonstrating that our loss-based reweighting approach can lead to faster convergence and significantly improved performance.

Practitioners commonly align large language models using pairwise preferences, i.e., given labels of the type response A is preferred to response B for a given input. Perhaps less commonly, methods have also been developed for binary feedback, i.e. training models given labels of type response A is good or bad. We show how an existing performant binary feedback method, the Cringe Loss (Adolphs et al., 2022), can be generalized to the pairwise preference setting using a simple soft margin extension. Pairwise Cringe Loss is straightforward to implement and efficient to train, and we find it outperforms state-of-the-art preference optimization algorithms such as PPO and DPO on the AlpacaFarm benchmark.

In most machine learning tasks, we evaluate a model M on a given data population S by measuring a population-level metric F(S;M). Examples of such evaluation metric F include precision/recall for (binary) recognition, the F1 score for multi-class classification, and the BLEU metric for language generation. On the other hand, the model M is trained by optimizing a sample-level loss G(S_t;M) at each learning step t, where S_t is a subset of S (a.k.a. the mini-batch). Popular choices of G include cross-entropy loss, the Dice loss, and sentence-level BLEU scores. A fundamental assumption behind this paradigm is that the mean value of the sample-level loss G, if averaged over all possible samples, should effectively represent the population-level metric F of the task, such as, that E[ G(S_t;M) ] approx F(S;M). In this paper, we systematically investigate the above assumption in several NLP tasks. We show, both theoretically and experimentally, that some popular designs of the sample-level loss G may be inconsistent with the true population-level metric F of the task, so that models trained to optimize the former can be substantially sub-optimal to the latter, a phenomenon we call it, Simpson's bias, due to its deep connections with the classic paradox known as Simpson's reversal paradox in statistics and social sciences.

Recognizing the prevalence of domain shift as a common challenge in machine learning, various domain generalization (DG) techniques have been developed to enhance the performance of machine learning systems when dealing with out-of-distribution (OOD) data. Furthermore, in real-world scenarios, data distributions can gradually change across a sequence of sequential domains. While current methodologies primarily focus on improving model effectiveness within these new domains, they often overlook fairness issues throughout the learning process. In response, we introduce an innovative framework called Counterfactual Fairness-Aware Domain Generalization with Sequential Autoencoder (CDSAE). This approach effectively separates environmental information and sensitive attributes from the embedded representation of classification features. This concurrent separation not only greatly improves model generalization across diverse and unfamiliar domains but also effectively addresses challenges related to unfair classification. Our strategy is rooted in the principles of causal inference to tackle these dual issues. To examine the intricate relationship between semantic information, sensitive attributes, and environmental cues, we systematically categorize exogenous uncertainty factors into four latent variables: 1) semantic information influenced by sensitive attributes, 2) semantic information unaffected by sensitive attributes, 3) environmental cues influenced by sensitive attributes, and 4) environmental cues unaffected by sensitive attributes. By incorporating fairness regularization, we exclusively employ semantic information for classification purposes. Empirical validation on synthetic and real-world datasets substantiates the effectiveness of our approach, demonstrating improved accuracy levels while ensuring the preservation of fairness in the evolving landscape of continuous domains.

Recently, machine unlearning, which seeks to erase specific data stored in the pre-trained or fine-tuned models, has emerged as a crucial protective measure for LLMs. However, unlearning approaches for LLMs that have been considered thus far have focused on the removal of independent data points and have not taken into account that the stored facts are logically connected to one another and form an implicit knowledge graph. To facilitate the development of structural unlearning methods, which are essential for the practical application of unlearning, we propose PISTOL, a pipeline for compiling multi-scenario datasets for benchmarking structural LLM unlearning. Additionally, leveraging sample datasets synthesized using PISTOL, we conducted benchmarks with four distinct unlearning methods on both Llama2-7B and Mistral-7B models. This analysis helps to illustrate the prevailing challenges in effectively and robustly removing highly inter-connected data, batched data, or data skewed towards a specific domain. It also highlights the choice of pre-trained model can impact unlearning performance. This work not only advances our understandings on the limitation of current LLMs unlearning methods and proposes future research directions, but also provides a replicable framework for ongoing exploration and validation in the field.

Machine learning (ML) models are only as good as the data they are trained on. But recent studies have found datasets widely used to train and evaluate ML models, e.g. ImageNet, to have pervasive labeling errors. Erroneous labels on the train set hurt ML models' ability to generalize, and they impact evaluation and model selection using the test set. Consequently, learning in the presence of labeling errors is an active area of research, yet this field lacks a comprehensive benchmark to evaluate these methods. Most of these methods are evaluated on a few computer vision datasets with significant variance in the experimental protocols. With such a large pool of methods and inconsistent evaluation, it is also unclear how ML practitioners can choose the right models to assess label quality in their data. To this end, we propose a benchmarking environment AQuA to rigorously evaluate methods that enable machine learning in the presence of label noise. We also introduce a design space to delineate concrete design choices of label error detection models. We hope that our proposed design space and benchmark enable practitioners to choose the right tools to improve their label quality and that our benchmark enables objective and rigorous evaluation of machine learning tools facing mislabeled data.

Softmax Loss (SL) is widely applied in recommender systems (RS) and has demonstrated effectiveness. This work analyzes SL from a pairwise perspective, revealing two significant limitations: 1) the relationship between SL and conventional ranking metrics like DCG is not sufficiently tight; 2) SL is highly sensitive to false negative instances. Our analysis indicates that these limitations are primarily due to the use of the exponential function. To address these issues, this work extends SL to a new family of loss functions, termed Pairwise Softmax Loss (PSL), which replaces the exponential function in SL with other appropriate activation functions. While the revision is minimal, we highlight three merits of PSL: 1) it serves as a tighter surrogate for DCG with suitable activation functions; 2) it better balances data contributions; and 3) it acts as a specific BPR loss enhanced by Distributionally Robust Optimization (DRO). We further validate the effectiveness and robustness of PSL through empirical experiments. The code is available at https://github.com/Tiny-Snow/IR-Benchmark.

Aligning large language models (LLMs) to human preferences is challenging in domains where preference data is unavailable. We address the problem of learning reward models for such target domains by leveraging feedback collected from simpler source domains, where human preferences are easier to obtain. Our key insight is that, while domains may differ significantly, human preferences convey domain-agnostic concepts that can be effectively captured by a reward model. We propose \method, a framework that trains domain-invariant reward models by optimizing a dual loss: a domain loss that minimizes the divergence between source and target distribution, and a source loss that optimizes preferences on the source domain. We show \method is a general approach that we evaluate and analyze across 4 distinct settings: (1) Cross-lingual transfer (accuracy: 0.621 rightarrow 0.661), (2) Clean-to-noisy (accuracy: 0.671 rightarrow 0.703), (3) Few-shot-to-full transfer (accuracy: 0.845 rightarrow 0.920), and (4) Simple-to-complex tasks transfer (correlation: 0.508 rightarrow 0.556). Our code, models and data are available at https://github.com/portal-cornell/dial.

Large language models (LLMs) have achieved success in acting as agents, which interact with environments through tools like search engines. However, LLMs are not optimized specifically for tool use during training or alignment, limiting their effectiveness as agents. To resolve this problem, previous work has collected interaction trajectories between GPT-4 and environments, and fine-tuned smaller models with them. As part of this, the standard approach has been to simply discard trajectories that do not finish the task successfully, which, on the one hand, leads to a significant waste of data and resources, and on the other hand, has the potential to limit the possible optimization paths during fine-tuning. In this paper, we contend that large language models can learn from failures through appropriate data cleaning and fine-tuning strategies. We conduct experiments on mathematical reasoning, multi-hop question answering, and strategic question answering tasks. Experimental results demonstrate that compared to solely using positive examples, incorporating negative examples enhances model performance by a large margin.

Large Language Models (LLMs) have demonstrated remarkable performance across diverse domains. However, effectively leveraging their vast knowledge for training smaller downstream models remains an open challenge, especially in domains like tabular data learning, where simpler models are often preferred due to interpretability and efficiency. In this paper, we introduce a novel yet straightforward method for incorporating LLM-generated global task feature attributions into the training process of smaller networks. Specifically, we propose an attribution-matching regularization term that aligns the training dynamics of the smaller model with the insights provided by the LLM. By doing so, our approach yields superior performance in few-shot learning scenarios. Notably, our method requires only black-box API access to the LLM, making it easy to integrate into existing training pipelines with minimal computational overhead. Furthermore, we demonstrate how this method can be used to address common issues in real-world datasets, such as skewness and bias. By integrating high-level knowledge from LLMs, our approach improves generalization, even when training data is limited or imbalanced. We validate its effectiveness through extensive experiments across multiple tasks, demonstrating improved learning efficiency and model robustness.

The proliferation of pretrained models, as a result of advancements in pretraining techniques, has led to the emergence of a vast zoo of publicly available models. Effectively utilizing these resources to obtain models with robust out-of-distribution generalization capabilities for downstream tasks has become a crucial area of research. Previous research has primarily focused on identifying the most powerful models within the model zoo, neglecting to fully leverage the diverse inductive biases contained within. This paper argues that the knowledge contained in weaker models is valuable and presents a method for leveraging the diversity within the model zoo to improve out-of-distribution generalization capabilities. Specifically, we investigate the behaviors of various pretrained models across different domains of downstream tasks by characterizing the variations in their encoded representations in terms of two dimensions: diversity shift and correlation shift. This characterization enables us to propose a new algorithm for integrating diverse pretrained models, not limited to the strongest models, in order to achieve enhanced out-of-distribution generalization performance. Our proposed method demonstrates state-of-the-art empirical results on a variety of datasets, thus validating the benefits of utilizing diverse knowledge.

Machine learning (ML) has become a ubiquitous tool across various domains of data mining and big data analysis. The efficacy of ML models depends heavily on high-quality datasets, which are often complicated by the presence of missing values. Consequently, the performance and generalization of ML models are at risk in the face of such datasets. This paper aims to examine the nuanced impact of missing values on ML workflows, including their types, causes, and consequences. Our analysis focuses on the challenges posed by missing values, including biased inferences, reduced predictive power, and increased computational burdens. The paper further explores strategies for handling missing values, including imputation techniques and removal strategies, and investigates how missing values affect model evaluation metrics and introduces complexities in cross-validation and model selection. The study employs case studies and real-world examples to illustrate the practical implications of addressing missing values. Finally, the discussion extends to future research directions, emphasizing the need for handling missing values ethically and transparently. The primary goal of this paper is to provide insights into the pervasive impact of missing values on ML models and guide practitioners toward effective strategies for achieving robust and reliable model outcomes.

We study the problem of classification with a reject option for a fixed predictor, applicable in natural language processing. We introduce a new problem formulation for this scenario, and an algorithm minimizing a new surrogate loss function. We provide a complete theoretical analysis of the surrogate loss function with a strong H-consistency guarantee. For evaluation, we choose the decontextualization task, and provide a manually-labelled dataset of 2mathord,000 examples. Our algorithm significantly outperforms the baselines considered, with a sim!!25% improvement in coverage when halving the error rate, which is only sim!! 3 % away from the theoretical limit.

Machine unlearning -- efficiently removing the effect of a small "forget set" of training data on a pre-trained machine learning model -- has recently attracted significant research interest. Despite this interest, however, recent work shows that existing machine unlearning techniques do not hold up to thorough evaluation in non-convex settings. In this work, we introduce a new machine unlearning technique that exhibits strong empirical performance even in such challenging settings. Our starting point is the perspective that the goal of unlearning is to produce a model whose outputs are statistically indistinguishable from those of a model re-trained on all but the forget set. This perspective naturally suggests a reduction from the unlearning problem to that of data attribution, where the goal is to predict the effect of changing the training set on a model's outputs. Thus motivated, we propose the following meta-algorithm, which we call Datamodel Matching (DMM): given a trained model, we (a) use data attribution to predict the output of the model if it were re-trained on all but the forget set points; then (b) fine-tune the pre-trained model to match these predicted outputs. In a simple convex setting, we show how this approach provably outperforms a variety of iterative unlearning algorithms. Empirically, we use a combination of existing evaluations and a new metric based on the KL-divergence to show that even in non-convex settings, DMM achieves strong unlearning performance relative to existing algorithms. An added benefit of DMM is that it is a meta-algorithm, in the sense that future advances in data attribution translate directly into better unlearning algorithms, pointing to a clear direction for future progress in unlearning.

Despite notable advancements in Multimodal Large Language Models (MLLMs), most state-of-the-art models have not undergone thorough alignment with human preferences. This gap exists because current alignment research has primarily achieved progress in specific areas (e.g., hallucination reduction), while the broader question of whether aligning models with human preferences can systematically enhance MLLM capability remains largely unexplored. To this end, we introduce MM-RLHF, a dataset containing 120k fine-grained, human-annotated preference comparison pairs. This dataset represents a substantial advancement over existing resources, offering superior size, diversity, annotation granularity, and quality. Leveraging this dataset, we propose several key innovations to improve both the quality of reward models and the efficiency of alignment algorithms. Notably, we introduce a Critique-Based Reward Model, which generates critiques of model outputs before assigning scores, offering enhanced interpretability and more informative feedback compared to traditional scalar reward mechanisms. Additionally, we propose Dynamic Reward Scaling, a method that adjusts the loss weight of each sample according to the reward signal, thereby optimizing the use of high-quality comparison pairs. Our approach is rigorously evaluated across 10 distinct dimensions and 27 benchmarks, with results demonstrating significant and consistent improvements in model performance. Specifically, fine-tuning LLaVA-ov-7B with MM-RLHF and our alignment algorithm leads to a 19.5% increase in conversational abilities and a 60% improvement in safety. We have open-sourced the preference dataset, reward model, training and evaluation code, as well as reward modeling and safety benchmarks. For more details, please visit our project page: https://mm-rlhf.github.io.

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

The rise of large language models (LLMs) has created a significant disparity: industrial research labs with their computational resources, expert teams, and advanced infrastructures, can effectively fine-tune LLMs, while individual developers and small organizations face barriers due to limited resources. In this paper, we aim to bridge this gap by presenting a comprehensive study on supervised fine-tuning of LLMs using instruction-tuning datasets spanning diverse knowledge domains and skills. We focus on small-sized LLMs (3B to 7B parameters) for their cost-efficiency and accessibility. We explore various training configurations and strategies across four open-source pre-trained models. We provide detailed documentation of these configurations, revealing findings that challenge several common training practices, including hyperparameter recommendations from TULU and phased training recommended by Orca. Key insights from our work include: (i) larger batch sizes paired with lower learning rates lead to improved model performance on benchmarks such as MMLU, MTBench, and Open LLM Leaderboard; (ii) early-stage training dynamics, such as lower gradient norms and higher loss values, are strong indicators of better final model performance, enabling early termination of sub-optimal runs and significant computational savings; (iii) through a thorough exploration of hyperparameters like warmup steps and learning rate schedules, we provide guidance for practitioners and find that certain simplifications do not compromise performance; and (iv) we observed no significant difference in performance between phased and stacked training strategies, but stacked training is simpler and more sample efficient. With these findings holding robustly across datasets and models, we hope this study serves as a guide for practitioners fine-tuning small LLMs and promotes a more inclusive environment for LLM research.

Unlearning methods have the potential to improve the privacy and safety of large language models (LLMs) by removing sensitive or harmful information post hoc. The LLM unlearning research community has increasingly turned toward empirical benchmarks to assess the effectiveness of such methods. In this paper, we find that existing benchmarks provide an overly optimistic and potentially misleading view on the effectiveness of candidate unlearning methods. By introducing simple, benign modifications to a number of popular benchmarks, we expose instances where supposedly unlearned information remains accessible, or where the unlearning process has degraded the model's performance on retained information to a much greater extent than indicated by the original benchmark. We identify that existing benchmarks are particularly vulnerable to modifications that introduce even loose dependencies between the forget and retain information. Further, we show that ambiguity in unlearning targets in existing benchmarks can easily lead to the design of methods that overfit to the given test queries. Based on our findings, we urge the community to be cautious when interpreting benchmark results as reliable measures of progress, and we provide several recommendations to guide future LLM unlearning research.

We study neural network loss landscapes through the lens of mode connectivity, the observation that minimizers of neural networks retrieved via training on a dataset are connected via simple paths of low loss. Specifically, we ask the following question: are minimizers that rely on different mechanisms for making their predictions connected via simple paths of low loss? We provide a definition of mechanistic similarity as shared invariances to input transformations and demonstrate that lack of linear connectivity between two models implies they use dissimilar mechanisms for making their predictions. Relevant to practice, this result helps us demonstrate that naive fine-tuning on a downstream dataset can fail to alter a model's mechanisms, e.g., fine-tuning can fail to eliminate a model's reliance on spurious attributes. Our analysis also motivates a method for targeted alteration of a model's mechanisms, named connectivity-based fine-tuning (CBFT), which we analyze using several synthetic datasets for the task of reducing a model's reliance on spurious attributes.

The reliability of large language models (LLMs) during test-time scaling is often assessed with external verifiers or reward models that distinguish correct reasoning from flawed logic. Prior work generally assumes that process reward models (PRMs), which score every intermediate reasoning step, outperform outcome reward models (ORMs) that assess only the final answer. This view is based mainly on evidence from narrow, math-adjacent domains. We present the first unified evaluation of four reward model variants, discriminative ORM and PRM (\DisORM, \DisPRM) and generative ORM and PRM (\GenORM, \GenPRM), across 14 diverse domains. Contrary to conventional wisdom, we find that (i) \DisORM performs on par with \DisPRM, (ii) \GenPRM is not competitive, and (iii) overall, \GenORM is the most robust, yielding significant and consistent gains across every tested domain. We attribute this to PRM-style stepwise scoring, which inherits label noise from LLM auto-labeling and has difficulty evaluating long reasoning trajectories, including those involving self-correcting reasoning. Our theoretical analysis shows that step-wise aggregation compounds errors as reasoning length grows, and our empirical observations confirm this effect. These findings challenge the prevailing assumption that fine-grained supervision is always better and support generative outcome verification for multi-domain deployment. We publicly release our code, datasets, and checkpoints at https://github.com/db-Lee/Multi-RM{\small\texttt{https://github.com/db-Lee/Multi-RM}} to facilitate future research in multi-domain settings.

Large language models (LLMs) have achieved impressive success on many benchmarks for mathematical reasoning. However, there is growing concern that some of this performance actually reflects dataset contamination, where data closely resembling benchmark questions leaks into the training data, instead of true reasoning ability. To investigate this claim rigorously, we commission Grade School Math 1000 (GSM1k). GSM1k is designed to mirror the style and complexity of the established GSM8k benchmark, the gold standard for measuring elementary mathematical reasoning. We ensure that the two benchmarks are comparable across important metrics such as human solve rates, number of steps in solution, answer magnitude, and more. When evaluating leading open- and closed-source LLMs on GSM1k, we observe accuracy drops of up to 13%, with several families of models (e.g., Phi and Mistral) showing evidence of systematic overfitting across almost all model sizes. At the same time, many models, especially those on the frontier, (e.g., Gemini/GPT/Claude) show minimal signs of overfitting. Further analysis suggests a positive relationship (Spearman's r^2=0.32) between a model's probability of generating an example from GSM8k and its performance gap between GSM8k and GSM1k, suggesting that many models may have partially memorized GSM8k.

The goal of face recognition (FR) can be viewed as a pair similarity optimization problem, maximizing a similarity set S^p over positive pairs, while minimizing similarity set S^n over negative pairs. Ideally, it is expected that FR models form a well-discriminative feature space (WDFS) that satisfies mathcal{S^p} > mathcal{S^n}. With regard to WDFS, the existing deep feature learning paradigms (i.e., metric and classification losses) can be expressed as a unified perspective on different pair generation (PG) strategies. Unfortunately, in the metric loss (ML), it is infeasible to generate negative pairs taking all classes into account in each iteration because of the limited mini-batch size. In contrast, in classification loss (CL), it is difficult to generate extremely hard negative pairs owing to the convergence of the class weight vectors to their center. This leads to a mismatch between the two similarity distributions of the sampled pairs and all negative pairs. Thus, this paper proposes a unified negative pair generation (UNPG) by combining two PG strategies (i.e., MLPG and CLPG) from a unified perspective to alleviate the mismatch. UNPG introduces useful information about negative pairs using MLPG to overcome the CLPG deficiency. Moreover, it includes filtering the similarities of noisy negative pairs to guarantee reliable convergence and improved performance. Exhaustive experiments show the superiority of UNPG by achieving state-of-the-art performance across recent loss functions on public benchmark datasets. Our code and pretrained models are publicly available.

With the increase in availability of large pre-trained language models (LMs) in Natural Language Processing (NLP), it becomes critical to assess their fit for a specific target task a priori - as fine-tuning the entire space of available LMs is computationally prohibitive and unsustainable. However, encoder transferability estimation has received little to no attention in NLP. In this paper, we propose to generate quantitative evidence to predict which LM, out of a pool of models, will perform best on a target task without having to fine-tune all candidates. We provide a comprehensive study on LM ranking for 10 NLP tasks spanning the two fundamental problem types of classification and structured prediction. We adopt the state-of-the-art Logarithm of Maximum Evidence (LogME) measure from Computer Vision (CV) and find that it positively correlates with final LM performance in 94% of the setups. In the first study of its kind, we further compare transferability measures with the de facto standard of human practitioner ranking, finding that evidence from quantitative metrics is more robust than pure intuition and can help identify unexpected LM candidates.

Uncovering early-stage metrics that reflect final model performance is one core principle for large-scale pretraining. The existing scaling law demonstrates the power-law correlation between pretraining loss and training flops, which serves as an important indicator of the current training state for large language models. However, this principle only focuses on the model's compression properties on the training data, resulting in an inconsistency with the ability improvements on the downstream tasks. Some follow-up works attempted to extend the scaling-law to more complex metrics (such as hyperparameters), but still lacked a comprehensive analysis of the dynamic differences among various capabilities during pretraining. To address the aforementioned limitations, this paper undertakes a comprehensive comparison of model capabilities at various pretraining intermediate checkpoints. Through this analysis, we confirm that specific downstream metrics exhibit similar training dynamics across models of different sizes, up to 67 billion parameters. In addition to our core findings, we've reproduced Amber and OpenLLaMA, releasing their intermediate checkpoints. This initiative offers valuable resources to the research community and facilitates the verification and exploration of LLM pretraining by open-source researchers. Besides, we provide empirical summaries, including performance comparisons of different models and capabilities, and tuition of key metrics for different training phases. Based on these findings, we provide a more user-friendly strategy for evaluating the optimization state, offering guidance for establishing a stable pretraining process.

Transfer learning has fundamentally changed the landscape of natural language processing (NLP) research. Many existing state-of-the-art models are first pre-trained on a large text corpus and then fine-tuned on downstream tasks. However, due to limited data resources from downstream tasks and the extremely large capacity of pre-trained models, aggressive fine-tuning often causes the adapted model to overfit the data of downstream tasks and forget the knowledge of the pre-trained model. To address the above issue in a more principled manner, we propose a new computational framework for robust and efficient fine-tuning for pre-trained language models. Specifically, our proposed framework contains two important ingredients: 1. Smoothness-inducing regularization, which effectively manages the capacity of the model; 2. Bregman proximal point optimization, which is a class of trust-region methods and can prevent knowledge forgetting. Our experiments demonstrate that our proposed method achieves the state-of-the-art performance on multiple NLP benchmarks.

Recent work found that LLMs are sensitive to a wide range of arbitrary prompt dimensions, including the type of delimiters, answer enumerators, instruction wording, and more. This throws into question popular single-prompt evaluation practices. We present DOVE (Dataset Of Variation Evaluation) a large-scale dataset containing prompt perturbations of various evaluation benchmarks. In contrast to previous work, we examine LLM sensitivity from an holistic perspective, and assess the joint effects of perturbations along various dimensions, resulting in thousands of perturbations per instance. We evaluate several model families against DOVE, leading to several findings, including efficient methods for choosing well-performing prompts, observing that few-shot examples reduce sensitivity, and identifying instances which are inherently hard across all perturbations. DOVE consists of more than 250M prompt perturbations and model outputs, which we make publicly available to spur a community-wide effort toward meaningful, robust, and efficient evaluation. Browse the data, contribute, and more: https://slab-nlp.github.io/DOVE/

Outliers introduce significant training challenges in neural networks by propagating erroneous gradients, which can degrade model performance and generalization. We propose the Z-Error Loss, a statistically principled approach that minimizes outlier influence during training by masking the contribution of data points identified as out-of-distribution within each batch. This method leverages batch-level statistics to automatically detect and exclude anomalous samples, allowing the model to focus its learning on the true underlying data structure. Our approach is robust, adaptive to data quality, and provides valuable diagnostics for data curation and cleaning.

This work presents a systematic investigation into the latent knowledge encoded within Network Foundation Models (NFMs) that focuses on hidden representations analysis rather than pure downstream task performance. Different from existing efforts, we analyze the models through a three-part evaluation: Embedding Geometry Analysis to assess representation space utilization, Metric Alignment Assessment to measure correspondence with domain-expert features, and Causal Sensitivity Testing to evaluate robustness to protocol perturbations. Using five diverse network datasets spanning controlled and real-world environments, we evaluate four state-of-the-art NFMs, revealing that they all exhibit significant anisotropy, inconsistent feature sensitivity patterns, an inability to separate the high-level context, payload dependency, and other properties. Our work identifies numerous limitations across all models and demonstrates that addressing them can significantly improve model performance (by up to +0.35 F_1 score without architectural changes).

As large language models (LLMs) become increasingly versatile, numerous large scale benchmarks have been developed to thoroughly assess their capabilities. These benchmarks typically consist of diverse datasets and prompts to evaluate different aspects of LLM performance. However, comprehensive evaluations on hundreds or thousands of prompts incur tremendous costs in terms of computation, money, and time. In this work, we investigate strategies to improve evaluation efficiency by selecting a subset of examples from each benchmark using a learned policy. Our approach models the dependencies across test examples, allowing accurate prediction of the evaluation outcomes for the remaining examples based on the outcomes of the selected ones. Consequently, we only need to acquire the actual evaluation outcomes for the selected subset. We rigorously explore various subset selection policies and introduce a novel RL-based policy that leverages the captured dependencies. Empirical results demonstrate that our approach significantly reduces the number of evaluation prompts required while maintaining accurate performance estimates compared to previous methods.

The performance of the reward model (RM) is a critical factor in improving the effectiveness of the large language model (LLM) during alignment fine-tuning. There remain two challenges in RM training: 1) training the same RM using various categories of data may cause its generalization performance to suffer from multi-task disturbance, and 2) the human annotation consistency rate is generally only 60% to 75%, causing training data to contain a lot of noise. To tackle these two challenges, we introduced the idea of Mixture-of-Experts (MoE) into the field of RM for the first time. We propose the Double-Layer MoE RM (DMoERM). The outer layer MoE is a sparse model. After classifying an input into task categories, we route it to the corresponding inner layer task-specific model. The inner layer MoE is a dense model. We decompose the specific task into multiple capability dimensions and individually fine-tune a LoRA expert on each one. Their outputs are then synthesized by an MLP to compute the final rewards. To minimize costs, we call a public LLM API to obtain the capability preference labels. The validation on manually labeled datasets confirms that our model attains superior consistency with human preference and outstrips advanced generative approaches. Meanwhile, through BoN sampling and RL experiments, we demonstrate that our model outperforms state-of-the-art ensemble methods of RM and mitigates the overoptimization problem. Our code and dataset are available at: https://github.com/quanshr/DMoERM-v1.

Model calibration aims to align confidence with prediction correctness. The Cross-Entropy (CE) loss is widely used for calibrator training, which enforces the model to increase confidence on the ground truth class. However, we find the CE loss has intrinsic limitations. For example, for a narrow misclassification, a calibrator trained by the CE loss often produces high confidence on the wrongly predicted class (e.g., a test sample is wrongly classified and its softmax score on the ground truth class is around 0.4), which is undesirable. In this paper, we propose a new post-hoc calibration objective derived from the aim of calibration. Intuitively, the proposed objective function asks that the calibrator decrease model confidence on wrongly predicted samples and increase confidence on correctly predicted samples. Because a sample itself has insufficient ability to indicate correctness, we use its transformed versions (e.g., rotated, greyscaled and color-jittered) during calibrator training. Trained on an in-distribution validation set and tested with isolated, individual test samples, our method achieves competitive calibration performance on both in-distribution and out-of-distribution test sets compared with the state of the art. Further, our analysis points out the difference between our method and commonly used objectives such as CE loss and mean square error loss, where the latters sometimes deviates from the calibration aim.

With the rapid advancement of Multi-modal Large Language Models (MLLMs), MLLM-based Image Quality Assessment (IQA) methods have shown promising performance in linguistic quality description. However, current methods still fall short in accurately scoring image quality. In this work, we aim to leverage MLLMs to regress accurate quality scores. A key challenge is that the quality score is inherently continuous, typically modeled as a Gaussian distribution, whereas MLLMs generate discrete token outputs. This mismatch necessitates score discretization. Previous approaches discretize the mean score into a one-hot label, resulting in information loss and failing to capture inter-image relationships. We propose a distribution-based approach that discretizes the score distribution into a soft label. This method preserves the characteristics of the score distribution, achieving high accuracy and maintaining inter-image relationships. Moreover, to address dataset variation, where different IQA datasets exhibit various distributions, we introduce a fidelity loss based on Thurstone's model. This loss captures intra-dataset relationships, facilitating co-training across multiple IQA datasets. With these designs, we develop the distribution-based Depicted image Quality Assessment model for Score regression (DeQA-Score). Experiments across multiple benchmarks show that DeQA-Score stably outperforms baselines in score regression. Also, DeQA-Score can predict the score distribution that closely aligns with human annotations. Codes and model weights have been released in https://depictqa.github.io/deqa-score/.

Robustness to natural distribution shifts has seen remarkable progress thanks to recent pre-training strategies combined with better fine-tuning methods. However, such fine-tuning assumes access to large amounts of labelled data, and the extent to which the observations hold when the amount of training data is not as high remains unknown. We address this gap by performing the first in-depth study of robustness to various natural distribution shifts in different low-shot regimes: spanning datasets, architectures, pre-trained initializations, and state-of-the-art robustness interventions. Most importantly, we find that there is no single model of choice that is often more robust than others, and existing interventions can fail to improve robustness on some datasets even if they do so in the full-shot regime. We hope that our work will motivate the community to focus on this problem of practical importance.

Reward model (RM) plays a pivotal role in aligning large language model (LLM) with human preferences. As real-world applications increasingly involve long history trajectories, e.g., LLM agent, it becomes indispensable to evaluate whether a model's responses are not only high-quality but also grounded in and consistent with the provided context. Yet, current RMs remain confined to short-context settings and primarily focus on response-level attributes (e.g., safety or helpfulness), while largely neglecting the critical dimension of long context-response consistency. In this work, we introduce Long-RewardBench, a benchmark specifically designed for long-context RM evaluation, featuring both Pairwise Comparison and Best-of-N tasks. Our preliminary study reveals that even state-of-the-art generative RMs exhibit significant fragility in long-context scenarios, failing to maintain context-aware preference judgments. Motivated by the analysis of failure patterns observed in model outputs, we propose a general multi-stage training strategy that effectively scales arbitrary models into robust Long-context RMs (LongRMs). Experiments show that our approach not only substantially improves performance on long-context evaluation but also preserves strong short-context capability. Notably, our 8B LongRM outperforms much larger 70B-scale baselines and matches the performance of the proprietary Gemini 2.5 Pro model.

Reward models have become a staple in modern NLP, serving as not only a scalable text evaluator, but also an indispensable component in many alignment recipes and inference-time algorithms. However, while recent reward models increase performance on standard benchmarks, this may partly be due to overfitting effects, which would confound an understanding of their true capability. In this work, we scrutinize the robustness of reward models and the extent of such overfitting. We build **reWordBench**, which systematically transforms reward model inputs in meaning- or ranking-preserving ways. We show that state-of-the-art reward models suffer from substantial performance degradation even with minor input transformations, sometimes dropping to significantly below-random accuracy, suggesting brittleness. To improve reward model robustness, we propose to explicitly train them to assign similar scores to paraphrases, and find that this approach also improves robustness to other distinct kinds of transformations. For example, our robust reward model reduces such degradation by roughly half for the Chat Hard subset in RewardBench. Furthermore, when used in alignment, our robust reward models demonstrate better utility and lead to higher-quality outputs, winning in up to 59% of instances against a standardly trained RM.

The training data for fine-tuning large language models (LLMs) is typically structured as input-output pairs. However, for many tasks, there can be multiple equally valid output variations for the same input. Recent studies have observed that the choice of output variation used in training can affect the model's performance. This raises an important question: how can we generate the most effective output from the many possible response generation strategy options? Rather than relying on the traditional but resource-intensive train-and-evaluate approach, this paper proposes a scalable, approximate method for estimating the quality of a small subset of generated training data derived from the same input. We then evaluate how well this small subset of generated output fits the target model we are trying to train. We present a large-scale benchmark covering diverse reasoning-based datasets to support our study. The central idea is that a good output should closely resemble the output generated by the target LLM. We formalize this 'closeness' as the expected alignment score between a candidate output and the output sampled from the target LLM. We connect this measurement to the perplexity metric used in previous literature and demonstrate that leveraging an alignment-based metric can provide better predictions of model performance. Using this strategy, we can evaluate a small subset of the generated output from each response generation strategy option, then select the most effective strategy. We show that an LLM trained on data generated by the selected strategy could lead to a significant performance gain in many cases.

Recent progress in large language models (LLMs) highlights the power of scaling test-time compute to achieve strong performance on complex tasks, such as mathematical reasoning and code generation. This raises a critical question: how should model training be modified to optimize performance under a subsequent test-time compute strategy and budget? To explore this, we focus on pass@N, a simple test-time strategy that searches for a correct answer in N independent samples. We show, surprisingly, that training with cross-entropy (CE) loss can be {it misaligned} with pass@N in that pass@N accuracy {it decreases} with longer training. We explain the origins of this misalignment in terms of model overconfidence induced by CE, and experimentally verify our prediction of overconfidence as an impediment to scaling test-time compute via pass@N. Furthermore we suggest a principled, modified training loss that is better aligned to pass@N by limiting model confidence and rescuing pass@N test performance. Our algorithm demonstrates improved mathematical reasoning on MATH and MiniF2F benchmarks under several scenarios: (1) providing answers to math questions; and (2) proving theorems by searching over proof trees of varying shapes. Overall our work underscores the importance of co-designing two traditionally separate phases of LLM development: training-time protocols and test-time search and reasoning strategies.

Manual curation of evaluation datasets is struggling to keep up with the rapidly expanding capabilities and deployment scenarios of language models. Towards scalable model profiling, we introduce and validate a framework for evaluating LLMs, called Adaptive Evaluations. Adaptive evaluations use scaffolded language models (evaluator agents) to search through a target model's behavior on a domain dataset and create difficult questions (tasks) that can discover and probe the model's failure modes. We find that frontier models lack consistency when adaptively probed with our framework on a diverse suite of datasets and tasks, including but not limited to legal reasoning, forecasting, and online harassment. Generated questions pass human validity checks and often transfer to other models with different capability profiles, demonstrating that adaptive evaluations can also be used to create difficult domain-specific datasets.

Recent advances in large language models (LLMs) have increased the demand for comprehensive benchmarks to evaluate their capabilities as human-like agents. Existing benchmarks, while useful, often focus on specific application scenarios, emphasizing task completion but failing to dissect the underlying skills that drive these outcomes. This lack of granularity makes it difficult to deeply discern where failures stem from. Additionally, setting up these environments requires considerable effort, and issues of unreliability and reproducibility sometimes arise, especially in interactive tasks. To address these limitations, we introduce the Massive Multitask Agent Understanding (MMAU) benchmark, featuring comprehensive offline tasks that eliminate the need for complex environment setups. It evaluates models across five domains, including teal{Tool-use}, teal{Directed Acyclic Graph (DAG) QA}, teal{Data Science and Machine Learning coding}, teal{Contest-level programming} and teal{Mathematics}, and covers five essential capabilities: orange{Understanding}, orange{Reasoning}, orange{Planning}, orange{Problem-solving}, and orange{Self-correction}. With a total of 20 meticulously designed tasks encompassing over 3K distinct prompts, MMAU provides a comprehensive framework for evaluating the strengths and limitations of LLM agents. By testing 18 representative models on MMAU, we provide deep and insightful analyses. Ultimately, MMAU not only sheds light on the capabilities and limitations of LLM agents but also enhances the interpretability of their performance. Datasets and evaluation scripts of MMAU are released at https://github.com/apple/axlearn/docs/research/mmau.

The training data for many Large Language Models (LLMs) is contaminated with test data. This means that public benchmarks used to assess LLMs are compromised, suggesting a performance gap between benchmark scores and actual capabilities. Ideally, a private holdout set could be used to accurately verify scores. Unfortunately, such datasets do not exist for most benchmarks, and post-hoc construction of sufficiently similar datasets is non-trivial. To address these issues, we introduce a systematic methodology for (i) retrospectively constructing a holdout dataset for a target dataset, (ii) demonstrating the statistical indistinguishability of this retro-holdout dataset, and (iii) comparing LLMs on the two datasets to quantify the performance gap due to the dataset's public availability. Applying these methods to TruthfulQA, we construct and release Retro-Misconceptions, on which we evaluate twenty LLMs and find that some have inflated scores by as much as 16 percentage points. Our results demonstrate that public benchmark scores do not always accurately assess model properties, and underscore the importance of improved data practices in the field.

Methods for adapting language models (LMs) to new tasks and domains have traditionally assumed white-box access to the model, and work by modifying its parameters. However, this is incompatible with a recent trend in the field, where the highest quality models are only available as black-boxes through inference APIs. Even when the model weights are available, the computational cost of fine-tuning large LMs can be prohibitive for most practitioners. In this work, we present a lightweight method for adapting large LMs to new domains and tasks, assuming no access to their weights or intermediate activations. Our approach fine-tunes a small white-box LM and combines it with the large black-box LM at the probability level through a small network, learned on a small validation set. We validate our approach by adapting a large LM (OPT-30B) to several domains and a downstream task (machine translation), observing improved performance in all cases, of up to 9%, while using a domain expert 23x smaller.

The alignment of large language models (LLMs) often assumes that using more clean data yields better outcomes, overlooking the match between model capacity and example difficulty. Challenging this, we propose a new principle: Preference data vary in difficulty, and overly difficult examples hinder alignment, by exceeding the model's capacity. Through systematic experimentation, we validate this principle with three key findings: (1) preference examples vary in difficulty, as evidenced by consistent learning orders across alignment runs; (2) overly difficult examples significantly degrade performance across four LLMs and two datasets; and (3) the capacity of a model dictates its threshold for handling difficult examples, underscoring a critical relationship between data selection and model capacity. Building on this principle, we introduce Selective DPO, which filters out overly difficult examples. This simple adjustment improves alignment performance by 9-16% in win rates on the AlpacaEval 2 benchmark compared to the DPO baseline, suppressing a series of DPO variants with different algorithmic adjustments. Together, these results illuminate the importance of aligning data difficulty with model capacity, offering a transformative perspective for improving alignment strategies in LLMs. Code is available at https://github.com/glorgao/SelectiveDPO.

Training robust retrieval and reranker models typically relies on large-scale retrieval datasets; for example, the BGE collection contains 1.6 million query-passage pairs sourced from various data sources. However, we find that certain datasets can negatively impact model effectiveness -- pruning 8 out of 15 datasets from the BGE collection reduces the training set size by 2.35times and increases nDCG@10 on BEIR by 1.0 point. This motivates a deeper examination of training data quality, with a particular focus on "false negatives", where relevant passages are incorrectly labeled as irrelevant. We propose a simple, cost-effective approach using cascading LLM prompts to identify and relabel hard negatives. Experimental results show that relabeling false negatives with true positives improves both E5 (base) and Qwen2.5-7B retrieval models by 0.7-1.4 nDCG@10 on BEIR and by 1.7-1.8 nDCG@10 on zero-shot AIR-Bench evaluation. Similar gains are observed for rerankers fine-tuned on the relabeled data, such as Qwen2.5-3B on BEIR. The reliability of the cascading design is further supported by human annotation results, where we find judgment by GPT-4o shows much higher agreement with humans than GPT-4o-mini.

Training algorithms, broadly construed, are an essential part of every deep learning pipeline. Training algorithm improvements that speed up training across a wide variety of workloads (e.g., better update rules, tuning protocols, learning rate schedules, or data selection schemes) could save time, save computational resources, and lead to better, more accurate, models. Unfortunately, as a community, we are currently unable to reliably identify training algorithm improvements, or even determine the state-of-the-art training algorithm. In this work, using concrete experiments, we argue that real progress in speeding up training requires new benchmarks that resolve three basic challenges faced by empirical comparisons of training algorithms: (1) how to decide when training is complete and precisely measure training time, (2) how to handle the sensitivity of measurements to exact workload details, and (3) how to fairly compare algorithms that require hyperparameter tuning. In order to address these challenges, we introduce a new, competitive, time-to-result benchmark using multiple workloads running on fixed hardware, the AlgoPerf: Training Algorithms benchmark. Our benchmark includes a set of workload variants that make it possible to detect benchmark submissions that are more robust to workload changes than current widely-used methods. Finally, we evaluate baseline submissions constructed using various optimizers that represent current practice, as well as other optimizers that have recently received attention in the literature. These baseline results collectively demonstrate the feasibility of our benchmark, show that non-trivial gaps between methods exist, and set a provisional state-of-the-art for future benchmark submissions to try and surpass.

Many NLP tasks such as tagging and machine reading comprehension are faced with the severe data imbalance issue: negative examples significantly outnumber positive examples, and the huge number of background examples (or easy-negative examples) overwhelms the training. The most commonly used cross entropy (CE) criteria is actually an accuracy-oriented objective, and thus creates a discrepancy between training and test: at training time, each training instance contributes equally to the objective function, while at test time F1 score concerns more about positive examples. In this paper, we propose to use dice loss in replacement of the standard cross-entropy objective for data-imbalanced NLP tasks. Dice loss is based on the Sorensen-Dice coefficient or Tversky index, which attaches similar importance to false positives and false negatives, and is more immune to the data-imbalance issue. To further alleviate the dominating influence from easy-negative examples in training, we propose to associate training examples with dynamically adjusted weights to deemphasize easy-negative examples.Theoretical analysis shows that this strategy narrows down the gap between the F1 score in evaluation and the dice loss in training. With the proposed training objective, we observe significant performance boost on a wide range of data imbalanced NLP tasks. Notably, we are able to achieve SOTA results on CTB5, CTB6 and UD1.4 for the part of speech tagging task; SOTA results on CoNLL03, OntoNotes5.0, MSRA and OntoNotes4.0 for the named entity recognition task; along with competitive results on the tasks of machine reading comprehension and paraphrase identification.

The rapid advancements in computing dramatically increase the scale and cost of training Large Language Models (LLMs). Accurately predicting downstream task performance prior to model training is crucial for efficient resource allocation, yet remains challenging due to two primary constraints: (1) the "emergence phenomenon", wherein downstream performance metrics become meaningful only after extensive training, which limits the ability to use smaller models for prediction; (2) Uneven task difficulty distributions and the absence of consistent scaling laws, resulting in substantial metric variability. Existing performance prediction methods suffer from limited accuracy and reliability, thereby impeding the assessment of potential LLM capabilities. To address these challenges, we propose a Clustering-On-Difficulty (COD) downstream performance prediction framework. COD first constructs a predictable support subset by clustering tasks based on difficulty features, strategically excluding non-emergent and non-scalable clusters. The scores on the selected subset serve as effective intermediate predictors of downstream performance on the full evaluation set. With theoretical support, we derive a mapping function that transforms performance metrics from the predictable subset to the full evaluation set, thereby ensuring accurate extrapolation of LLM downstream performance. The proposed method has been applied to predict performance scaling for a 70B LLM, providing actionable insights for training resource allocation and assisting in monitoring the training process. Notably, COD achieves remarkable predictive accuracy on the 70B LLM by leveraging an ensemble of small models, demonstrating an absolute mean deviation of 1.36% across eight important LLM evaluation benchmarks.

Policy gradient algorithms have found wide adoption in NLP, but have recently become subject to criticism, doubting their suitability for NMT. Choshen et al. (2020) identify multiple weaknesses and suspect that their success is determined by the shape of output distributions rather than the reward. In this paper, we revisit these claims and study them under a wider range of configurations. Our experiments on in-domain and cross-domain adaptation reveal the importance of exploration and reward scaling, and provide empirical counter-evidence to these claims.

We build four new test sets for the Stanford Question Answering Dataset (SQuAD) and evaluate the ability of question-answering systems to generalize to new data. Our first test set is from the original Wikipedia domain and measures the extent to which existing systems overfit the original test set. Despite several years of heavy test set re-use, we find no evidence of adaptive overfitting. The remaining three test sets are constructed from New York Times articles, Reddit posts, and Amazon product reviews and measure robustness to natural distribution shifts. Across a broad range of models, we observe average performance drops of 3.8, 14.0, and 17.4 F1 points, respectively. In contrast, a strong human baseline matches or exceeds the performance of SQuAD models on the original domain and exhibits little to no drop in new domains. Taken together, our results confirm the surprising resilience of the holdout method and emphasize the need to move towards evaluation metrics that incorporate robustness to natural distribution shifts.

The success of powerful open source Large Language Models (LLMs) has enabled the community to create a vast collection of post-trained models adapted to specific tasks and domains. However, navigating and understanding these models remains challenging due to inconsistent metadata and unstructured repositories. We introduce Delta Activations, a method to represent finetuned models as vector embeddings by measuring shifts in their internal activations relative to a base model. This representation allows for effective clustering by domain and task, revealing structure in the model landscape. Delta Activations also demonstrate desirable properties: it is robust across finetuning settings and exhibits an additive property when finetuning datasets are mixed. In addition, we show that Delta Activations can embed tasks via few-shot finetuning, and further explore its use for model selection and merging. We hope Delta Activations can facilitate the practice of reusing publicly available models. Code is available at https://github.com/OscarXZQ/delta_activations.

DARTS search space (DSS) has become a canonical benchmark for NAS whereas some emerging works pointed out the issue of narrow accuracy range and claimed it would hurt the method ranking. We observe some recent studies already suffer from this issue that overshadows the meaning of scores. In this work, we first propose and orchestrate a suite of improvements to frame a larger and harder DSS, termed LHD, while retaining high efficiency in search. We step forward to renovate a LHD-based new benchmark, taking care of both discernibility and accessibility. Specifically, we re-implement twelve baselines and evaluate them across twelve conditions by combining two underexpolored influential factors: transductive robustness and discretization policy, to reasonably construct a benchmark upon multi-condition evaluation. Considering that the tabular benchmarks are always insufficient to adequately evaluate the methods of neural architecture search (NAS), our work can serve as a crucial basis for the future progress of NAS. https://github.com/chaoji90/LHD

In a typical multi-label setting, a picture contains on average few positive labels, and many negative ones. This positive-negative imbalance dominates the optimization process, and can lead to under-emphasizing gradients from positive labels during training, resulting in poor accuracy. In this paper, we introduce a novel asymmetric loss ("ASL"), which operates differently on positive and negative samples. The loss enables to dynamically down-weights and hard-thresholds easy negative samples, while also discarding possibly mislabeled samples. We demonstrate how ASL can balance the probabilities of different samples, and how this balancing is translated to better mAP scores. With ASL, we reach state-of-the-art results on multiple popular multi-label datasets: MS-COCO, Pascal-VOC, NUS-WIDE and Open Images. We also demonstrate ASL applicability for other tasks, such as single-label classification and object detection. ASL is effective, easy to implement, and does not increase the training time or complexity. Implementation is available at: https://github.com/Alibaba-MIIL/ASL.

Robust unlearning is crucial for safely deploying large language models (LLMs) in environments where data privacy, model safety, and regulatory compliance must be ensured. Yet the task is inherently challenging, partly due to difficulties in reliably measuring whether unlearning has truly occurred. Moreover, fragmentation in current methodologies and inconsistent evaluation metrics hinder comparative analysis and reproducibility. To unify and accelerate research efforts, we introduce OpenUnlearning, a standardized and extensible framework designed explicitly for benchmarking both LLM unlearning methods and metrics. OpenUnlearning integrates 9 unlearning algorithms and 16 diverse evaluations across 3 leading benchmarks (TOFU, MUSE, and WMDP) and also enables analyses of forgetting behaviors across 450+ checkpoints we publicly release. Leveraging OpenUnlearning, we propose a novel meta-evaluation benchmark focused specifically on assessing the faithfulness and robustness of evaluation metrics themselves. We also benchmark diverse unlearning methods and provide a comparative analysis against an extensive evaluation suite. Overall, we establish a clear, community-driven pathway toward rigorous development in LLM unlearning research.

As machine learning tasks continue to evolve, the trend has been to gather larger datasets and train increasingly larger models. While this has led to advancements in accuracy, it has also escalated computational costs to unsustainable levels. Addressing this, our work aims to strike a delicate balance between computational efficiency and model accuracy, a persisting challenge in the field. We introduce a novel method that employs core subset selection for reweighting, effectively optimizing both computational time and model performance. By focusing on a strategically selected coreset, our approach offers a robust representation, as it efficiently minimizes the influence of outliers. The re-calibrated weights are then mapped back to and propagated across the entire dataset. Our experimental results substantiate the effectiveness of this approach, underscoring its potential as a scalable and precise solution for model training.

Distribution shifts -- where the training distribution differs from the test distribution -- can substantially degrade the accuracy of machine learning (ML) systems deployed in the wild. Despite their ubiquity in the real-world deployments, these distribution shifts are under-represented in the datasets widely used in the ML community today. To address this gap, we present WILDS, a curated benchmark of 10 datasets reflecting a diverse range of distribution shifts that naturally arise in real-world applications, such as shifts across hospitals for tumor identification; across camera traps for wildlife monitoring; and across time and location in satellite imaging and poverty mapping. On each dataset, we show that standard training yields substantially lower out-of-distribution than in-distribution performance. This gap remains even with models trained by existing methods for tackling distribution shifts, underscoring the need for new methods for training models that are more robust to the types of distribution shifts that arise in practice. To facilitate method development, we provide an open-source package that automates dataset loading, contains default model architectures and hyperparameters, and standardizes evaluations. Code and leaderboards are available at https://wilds.stanford.edu.

Software engineers develop, fine-tune, and deploy deep learning (DL) models. They use and re-use models in a variety of development frameworks and deploy them on a range of runtime environments. In this diverse ecosystem, engineers use DL model converters to move models from frameworks to runtime environments. However, errors in converters can compromise model quality and disrupt deployment. The failure frequency and failure modes of DL model converters are unknown. In this paper, we conduct the first failure analysis on DL model converters. Specifically, we characterize failures in model converters associated with ONNX (Open Neural Network eXchange). We analyze past failures in the ONNX converters in two major DL frameworks, PyTorch and TensorFlow. The symptoms, causes, and locations of failures (for N=200 issues), and trends over time are also reported. We also evaluate present-day failures by converting 8,797 models, both real-world and synthetically generated instances. The consistent result from both parts of the study is that DL model converters commonly fail by producing models that exhibit incorrect behavior: 33% of past failures and 8% of converted models fell into this category. Our results motivate future research on making DL software simpler to maintain, extend, and validate.

We propose a new algorithm for fine-tuning large language models using reinforcement learning. Tapered Off-Policy REINFORCE (TOPR) uses an asymmetric, tapered variant of importance sampling to speed up learning while maintaining stable learning dynamics, even without the use of KL regularization. TOPR can be applied in a fully offline fashion, allows the handling of positive and negative examples in a unified framework, and benefits from the implementational simplicity that is typical of Monte Carlo algorithms. We demonstrate the effectiveness of our approach with a series of experiments on the GSM8K and MATH reasoning benchmarks, finding performance gains for training both a model for solution generation and as a generative verifier. We show that properly leveraging positive and negative examples alike in the off-policy regime simultaneously increases test-time accuracy and training data efficiency, all the while avoiding the ``wasted inference'' that comes with discarding negative examples. We find that this advantage persists over multiple iterations of training and can be amplified by dataset curation techniques, enabling us to match 70B-parameter model performance with 8B language models. As a corollary to this work, we find that REINFORCE's baseline parameter plays an important and unexpected role in defining dataset composition in the presence of negative examples, and is consequently critical in driving off-policy performance.

Large Language Models (LLMs) effectiveness is usually evaluated by means of benchmarks such as MMLU, ARC-C, or HellaSwag, where questions are presented in their original wording, thus in a fixed, standardized format. However, real-world applications involve linguistic variability, requiring models to maintain their effectiveness across diverse rewordings of the same question or query. In this study, we systematically assess the robustness of LLMs to paraphrased benchmark questions and investigate whether benchmark-based evaluations provide a reliable measure of model capabilities. We systematically generate various paraphrases of all the questions across six different common benchmarks, and measure the resulting variations in effectiveness of 34 state-of-the-art LLMs, of different size and effectiveness. Our findings reveal that while LLM rankings remain relatively stable across paraphrased inputs, absolute effectiveness scores change, and decline significantly. This suggests that LLMs struggle with linguistic variability, raising concerns about their generalization abilities and evaluation methodologies. Furthermore, the observed performance drop challenges the reliability of benchmark-based evaluations, indicating that high benchmark scores may not fully capture a model's robustness to real-world input variations. We discuss the implications of these findings for LLM evaluation methodologies, emphasizing the need for robustness-aware benchmarks that better reflect practical deployment scenarios.

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of inductive bias associated with these architectures and hyperparameters has been limited. We propose a novel method for efficiently computing the inductive bias required for generalization on a task with a fixed training data budget; formally, this corresponds to the amount of information required to specify well-generalizing models within a specific hypothesis space of models. Our approach involves modeling the loss distribution of random hypotheses drawn from a hypothesis space to estimate the required inductive bias for a task relative to these hypotheses. Unlike prior work, our method provides a direct estimate of inductive bias without using bounds and is applicable to diverse hypothesis spaces. Moreover, we derive approximation error bounds for our estimation approach in terms of the number of sampled hypotheses. Consistent with prior results, our empirical results demonstrate that higher dimensional tasks require greater inductive bias. We show that relative to other expressive model classes, neural networks as a model class encode large amounts of inductive bias. Furthermore, our measure quantifies the relative difference in inductive bias between different neural network architectures. Our proposed inductive bias metric provides an information-theoretic interpretation of the benefits of specific model architectures for certain tasks and provides a quantitative guide to developing tasks requiring greater inductive bias, thereby encouraging the development of more powerful inductive biases.

Large language models are being widely used across industries to generate content that contributes directly to key performance metrics, such as conversion rates. Pretrained models, however, often fall short when it comes to aligning with human preferences or optimizing for business objectives. As a result, fine-tuning with good-quality labeled data is essential to guide models to generate content that achieves better results. Controlled experiments, like A/B tests, can provide such data, but they are often expensive and come with significant engineering and logistical challenges. Meanwhile, companies have access to a vast amount of historical (observational) data that remains underutilized. In this work, we study the challenges and opportunities of fine-tuning LLMs using observational data. We show that while observational outcomes can provide valuable supervision, directly fine-tuning models on such data can lead them to learn spurious correlations. We present empirical evidence of this issue using various real-world datasets and propose DeconfoundLM, a method that explicitly removes the effect of known confounders from reward signals. Using simulation experiments, we demonstrate that DeconfoundLM improves the recovery of causal relationships and mitigates failure modes found in fine-tuning methods that ignore or naively incorporate confounding variables. Our findings highlight that while observational data presents risks, with the right causal corrections, it can be a powerful source of signal for LLM alignment. Please refer to the project page for code and related resources.

Despite being the standard loss function to train multi-class neural networks, the log-softmax has two potential limitations. First, it involves computations that scale linearly with the number of output classes, which can restrict the size of problems we are able to tackle with current hardware. Second, it remains unclear how close it matches the task loss such as the top-k error rate or other non-differentiable evaluation metrics which we aim to optimize ultimately. In this paper, we introduce an alternative classification loss function, the Z-loss, which is designed to address these two issues. Unlike the log-softmax, it has the desirable property of belonging to the spherical loss family (Vincent et al., 2015), a class of loss functions for which training can be performed very efficiently with a complexity independent of the number of output classes. We show experimentally that it significantly outperforms the other spherical loss functions previously investigated. Furthermore, we show on a word language modeling task that it also outperforms the log-softmax with respect to certain ranking scores, such as top-k scores, suggesting that the Z-loss has the flexibility to better match the task loss. These qualities thus makes the Z-loss an appealing candidate to train very efficiently large output networks such as word-language models or other extreme classification problems. On the One Billion Word (Chelba et al., 2014) dataset, we are able to train a model with the Z-loss 40 times faster than the log-softmax and more than 4 times faster than the hierarchical softmax.

The trustworthy machine learning (ML) community is increasingly recognizing the crucial need for models capable of selectively 'unlearning' data points after training. This leads to the problem of machine unlearning (MU), aiming to eliminate the influence of chosen data points on model performance, while still maintaining the model's utility post-unlearning. Despite various MU methods for data influence erasure, evaluations have largely focused on random data forgetting, ignoring the vital inquiry into which subset should be chosen to truly gauge the authenticity of unlearning performance. To tackle this issue, we introduce a new evaluative angle for MU from an adversarial viewpoint. We propose identifying the data subset that presents the most significant challenge for influence erasure, i.e., pinpointing the worst-case forget set. Utilizing a bi-level optimization principle, we amplify unlearning challenges at the upper optimization level to emulate worst-case scenarios, while simultaneously engaging in standard training and unlearning at the lower level, achieving a balance between data influence erasure and model utility. Our proposal offers a worst-case evaluation of MU's resilience and effectiveness. Through extensive experiments across different datasets (including CIFAR-10, 100, CelebA, Tiny ImageNet, and ImageNet) and models (including both image classifiers and generative models), we expose critical pros and cons in existing (approximate) unlearning strategies. Our results illuminate the complex challenges of MU in practice, guiding the future development of more accurate and robust unlearning algorithms. The code is available at https://github.com/OPTML-Group/Unlearn-WorstCase.

Modern machine learning requires system designers to specify aspects of the learning pipeline, such as losses, architectures, and optimizers. Meta-learning, or learning-to-learn, instead aims to learn those aspects, and promises to unlock greater capabilities with less manual effort. One particularly ambitious goal of meta-learning is to train general-purpose in-context learning algorithms from scratch, using only black-box models with minimal inductive bias. Such a model takes in training data, and produces test-set predictions across a wide range of problems, without any explicit definition of an inference model, training loss, or optimization algorithm. In this paper we show that Transformers and other black-box models can be meta-trained to act as general-purpose in-context learners. We characterize transitions between algorithms that generalize, algorithms that memorize, and algorithms that fail to meta-train at all, induced by changes in model size, number of tasks, and meta-optimization. We further show that the capabilities of meta-trained algorithms are bottlenecked by the accessible state size (memory) determining the next prediction, unlike standard models which are thought to be bottlenecked by parameter count. Finally, we propose practical interventions such as biasing the training distribution that improve the meta-training and meta-generalization of general-purpose in-context learning algorithms.

Large language models (LLMs) struggle with multi-step reasoning, where inference-time scaling has emerged as a promising strategy for performance improvement. Verifier-guided search outperforms repeated sampling when sample size is limited by selecting and prioritizing valid reasoning paths. However, we identify a critical limitation: scaling flaws, prevalent across different models (Mistral 7B and DeepSeekMath 7B), benchmarks (GSM8K and MATH), and verifiers (outcome value models and process reward models). As sample size increases, verifier-guided search exhibits diminishing advantages and eventually underperforms repeated sampling. Our analysis attributes this to verifier failures, where imperfect verifiers misrank candidates and erroneously prune all valid paths. These issues are further exacerbated in challenging and out-of-distribution problems, restricting search effectiveness. To mitigate verifier failures, we explore reducing reliance on verifiers and conduct preliminary investigations using two simple methods. Our findings reveal fundamental limitations in verifier-guided search and suggest future directions.

We introduce~Domain2Vec, a novel approach that decomposes any dataset into a linear combination of several meta-domains, a new concept designed to capture the key underlying features of datasets. Domain2Vec maintains a vocabulary of meta-domains and uses a classifier to decompose any given dataset into a domain vector that corresponds to a distribution over this vocabulary. These domain vectors enable the identification of the optimal data mixture for language model (LM) pretraining in a training-free manner under the \textbf{Distribution Alignment Assumption} (DA^{2}), which suggests that when the data distributions of the training set and the validation set are better aligned, a lower validation loss is achieved. Moreover, Domain2vec can be seamlessly integrated into previous works to model the relationship between domain vectors and LM performance, greatly enhancing the efficiency and scalability of previous methods. Extensive experiments demonstrate that Domain2Vec helps find the data mixture that enhances downstream task performance with minimal computational overhead. Specifically, Domain2Vec achieves the same validation loss on Pile-CC using only 51.5% of the computation required when training on the original mixture of The Pile dataset. Under equivalent compute budget, Domain2Vec improves downstream performance by an average of 2.83%.

Trainable evaluation metrics for machine translation (MT) exhibit strong correlation with human judgements, but they are often hard to interpret and might produce unreliable scores under noisy or out-of-domain data. Recent work has attempted to mitigate this with simple uncertainty quantification techniques (Monte Carlo dropout and deep ensembles), however these techniques (as we show) are limited in several ways -- for example, they are unable to distinguish between different kinds of uncertainty, and they are time and memory consuming. In this paper, we propose more powerful and efficient uncertainty predictors for MT evaluation, and we assess their ability to target different sources of aleatoric and epistemic uncertainty. To this end, we develop and compare training objectives for the COMET metric to enhance it with an uncertainty prediction output, including heteroscedastic regression, divergence minimization, and direct uncertainty prediction. Our experiments show improved results on uncertainty prediction for the WMT metrics task datasets, with a substantial reduction in computational costs. Moreover, they demonstrate the ability of these predictors to address specific uncertainty causes in MT evaluation, such as low quality references and out-of-domain data.

Machine learning models frequently experience performance drops under distribution shifts. The underlying cause of such shifts may be multiple simultaneous factors such as changes in data quality, differences in specific covariate distributions, or changes in the relationship between label and features. When a model does fail during deployment, attributing performance change to these factors is critical for the model developer to identify the root cause and take mitigating actions. In this work, we introduce the problem of attributing performance differences between environments to distribution shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game where the players are distributions. We define the value of a set of distributions to be the change in model performance when only this set of distributions has changed between environments, and derive an importance weighting method for computing the value of an arbitrary set of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on synthetic, semi-synthetic, and real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.

In the realm of Large Language Models, the balance between instruction data quality and quantity has become a focal point. Recognizing this, we introduce a self-guided methodology for LLMs to autonomously discern and select cherry samples from vast open-source datasets, effectively minimizing manual curation and potential cost for instruction tuning an LLM. Our key innovation, the Instruction-Following Difficulty (IFD) metric, emerges as a pivotal tool to identify discrepancies between a model's expected responses and its autonomous generation prowess. Through the adept application of IFD, cherry samples are pinpointed, leading to a marked uptick in model training efficiency. Empirical validations on renowned datasets like Alpaca and WizardLM underpin our findings; with a mere 10% of conventional data input, our strategy showcases improved results. This synthesis of self-guided cherry-picking and the IFD metric signifies a transformative leap in the optimization of LLMs, promising both efficiency and resource-conscious advancements. Codes, data, and models are available: https://github.com/MingLiiii/Cherry_LLM

Amid the expanding use of pre-training data, the phenomenon of benchmark dataset leakage has become increasingly prominent, exacerbated by opaque training processes and the often undisclosed inclusion of supervised data in contemporary Large Language Models (LLMs). This issue skews benchmark effectiveness and fosters potentially unfair comparisons, impeding the field's healthy development. To address this, we introduce a detection pipeline utilizing Perplexity and N-gram accuracy, two simple and scalable metrics that gauge a model's prediction precision on benchmark, to identify potential data leakages. By analyzing 31 LLMs under the context of mathematical reasoning, we reveal substantial instances of training even test set misuse, resulting in potentially unfair comparisons. These findings prompt us to offer several recommendations regarding model documentation, benchmark setup, and future evaluations. Notably, we propose the "Benchmark Transparency Card" to encourage clear documentation of benchmark utilization, promoting transparency and healthy developments of LLMs. we have made our leaderboard, pipeline implementation, and model predictions publicly available, fostering future research.

This paper introduces misinfo-general, a benchmark dataset for evaluating misinformation models' ability to perform out-of-distribution generalisation. Misinformation changes rapidly, much quicker than moderators can annotate at scale, resulting in a shift between the training and inference data distributions. As a result, misinformation models need to be able to perform out-of-distribution generalisation, an understudied problem in existing datasets. We identify 6 axes of generalisation-time, event, topic, publisher, political bias, misinformation type-and design evaluation procedures for each. We also analyse some baseline models, highlighting how these fail important desiderata.

As language models scale up, it becomes increasingly expensive to verify research ideas because conclusions on small models do not trivially transfer to large ones. A possible solution is to establish a generic system that directly predicts some metrics for large models solely based on the results and hyperparameters from small models. Existing methods based on scaling laws require hyperparameter search on the largest models, which is impractical with limited resources. We address this issue by presenting our discoveries indicating that Maximal Update parametrization (Mup) enables accurate fitting of scaling laws for hyperparameters close to common loss basins, without any search. Thus, different models can be directly compared on large scales with loss prediction even before the training starts. We propose a new paradigm as a first step towards reliable academic research for any model scale without heavy computation. Code is publicly available at https://github.com/cofe-ai/Mu-scaling.

While post-training quantization is widely adopted for efficient deployment of large language models, the mechanisms underlying quantization robustness remain unclear. We conduct a comprehensive analysis of quantization degradation across open-source language model training trajectories up to 32B parameters and 15T training tokens to accurately assess the relationship between training dynamics and quantization performance. Our key finding is that quantization errors in large-scale training runs are driven by a complex interplay between learning rate and other training hyperparameters. Specifically, once learning rates decay, validation loss and quantization error diverge, largely independent of training data scale. To investigate interventions on the training dynamics and identify specific configurations that can modulate quantization robustness favorably, we train our own models in controlled experiments up to 100B tokens. Our results challenge the assumption that increasing dataset scale inherently compromises quantization effectiveness, demonstrating instead that strategic training hyperparameter interventions can improve quantization quality at scale.

Large language models (LLMs) may exhibit undesirable behaviors. Recent efforts have focused on aligning these models to prevent harmful generation. Despite these efforts, studies have shown that even a well-conducted alignment process can be easily circumvented, whether intentionally or accidentally. Do alignment fine-tuning have robust effects on models, or are merely superficial? In this work, we answer this question through both theoretical and empirical means. Empirically, we demonstrate the elasticity of post-alignment models, i.e., the tendency to revert to the behavior distribution formed during the pre-training phase upon further fine-tuning. Using compression theory, we formally derive that such fine-tuning process disproportionately undermines alignment compared to pre-training, potentially by orders of magnitude. We conduct experimental validations to confirm the presence of elasticity across models of varying types and sizes. Specifically, we find that model performance declines rapidly before reverting to the pre-training distribution, after which the rate of decline drops significantly. We further reveal that elasticity positively correlates with increased model size and the expansion of pre-training data. Our discovery signifies the importance of taming the inherent elasticity of LLMs, thereby overcoming the resistance of LLMs to alignment finetuning.

As supervised fine-tuning (SFT) evolves from a lightweight post-training step into a compute-intensive phase rivaling mid-training in scale, data efficiency has become critical for aligning large language models (LLMs) under tight budgets. Existing data pruning methods suffer from a fragmented design: they operate either at the sample level or the token level in isolation, failing to jointly optimize both dimensions. This disconnect leads to significant inefficiencies--high-value samples may still contain redundant tokens, while token-level pruning often discards crucial instructional or corrective signals embedded in individual examples. To address this bottleneck, we introduce the Error-Uncertainty (EU) Plane, a diagnostic framework that jointly characterizes the heterogeneous utility of training data across samples and tokens. Guided by this insight, we propose Quadrant-based Tuning (Q-Tuning), a unified framework that strategically coordinates sample pruning and token pruning. Q-Tuning employs a two-stage strategy: first, it performs sample-level triage to retain examples rich in informative misconceptions or calibration signals; second, it applies an asymmetric token-pruning policy, using a context-aware scoring mechanism to trim less salient tokens exclusively from misconception samples while preserving calibration samples in their entirety. Our method sets a new state of the art across five diverse benchmarks. Remarkably, on SmolLM2-1.7B, Q-Tuning achieves a +38\% average improvement over the full-data SFT baseline using only 12.5\% of the original training data. As the first dynamic pruning approach to consistently outperform full-data training, Q-Tuning provides a practical and scalable blueprint for maximizing data utilization in budget-constrained LLM SFT.

Evaluations of large language model (LLM) risks and capabilities are increasingly being incorporated into AI risk management and governance frameworks. Currently, most risk evaluations are conducted by designing inputs that elicit harmful behaviors from the system. However, a fundamental limitation of this approach is that the harmfulness of the behaviors identified during any particular evaluation can only lower bound the model's worst-possible-case behavior. As a complementary method for eliciting harmful behaviors, we propose evaluating LLMs with model tampering attacks which allow for modifications to latent activations or weights. We pit state-of-the-art techniques for removing harmful LLM capabilities against a suite of 5 input-space and 6 model tampering attacks. In addition to benchmarking these methods against each other, we show that (1) model resilience to capability elicitation attacks lies on a low-dimensional robustness subspace; (2) the attack success rate of model tampering attacks can empirically predict and offer conservative estimates for the success of held-out input-space attacks; and (3) state-of-the-art unlearning methods can easily be undone within 16 steps of fine-tuning. Together these results highlight the difficulty of removing harmful LLM capabilities and show that model tampering attacks enable substantially more rigorous evaluations than input-space attacks alone. We release models at https://huggingface.co/LLM-GAT

Two prominent challenges in explainability research involve 1) the nuanced evaluation of explanations and 2) the modeling of missing information through baseline representations. The existing literature introduces diverse evaluation metrics, each scrutinizing the quality of explanations through distinct lenses. Additionally, various baseline representations have been proposed, each modeling the notion of missingness differently. Yet, a consensus on the ultimate evaluation metric and baseline representation remains elusive. This work acknowledges the diversity in explanation metrics and baselines, demonstrating that different metrics exhibit preferences for distinct explanation maps resulting from the utilization of different baseline representations and distributions. To address the diversity in metrics and accommodate the variety of baseline representations in a unified manner, we propose Baseline Exploration-Exploitation (BEE) - a path-integration method that introduces randomness to the integration process by modeling the baseline as a learned random tensor. This tensor follows a learned mixture of baseline distributions optimized through a contextual exploration-exploitation procedure to enhance performance on the specific metric of interest. By resampling the baseline from the learned distribution, BEE generates a comprehensive set of explanation maps, facilitating the selection of the best-performing explanation map in this broad set for the given metric. Extensive evaluations across various model architectures showcase the superior performance of BEE in comparison to state-of-the-art explanation methods on a variety of objective evaluation metrics.

Many existing conditional score-based data generation methods utilize Bayes' theorem to decompose the gradients of a log posterior density into a mixture of scores. These methods facilitate the training procedure of conditional score models, as a mixture of scores can be separately estimated using a score model and a classifier. However, our analysis indicates that the training objectives for the classifier in these methods may lead to a serious score mismatch issue, which corresponds to the situation that the estimated scores deviate from the true ones. Such an issue causes the samples to be misled by the deviated scores during the diffusion process, resulting in a degraded sampling quality. To resolve it, we formulate a novel training objective, called Denoising Likelihood Score Matching (DLSM) loss, for the classifier to match the gradients of the true log likelihood density. Our experimental evidence shows that the proposed method outperforms the previous methods on both Cifar-10 and Cifar-100 benchmarks noticeably in terms of several key evaluation metrics. We thus conclude that, by adopting DLSM, the conditional scores can be accurately modeled, and the effect of the score mismatch issue is alleviated.

In this paper, we focus on the task of conditional image generation, where an image is synthesized according to user instructions. The critical challenge underpinning this task is ensuring both the fidelity of the generated images and their semantic alignment with the provided conditions. To tackle this issue, previous studies have employed supervised perceptual losses derived from pre-trained models, i.e., reward models, to enforce alignment between the condition and the generated result. However, we observe one inherent shortcoming: considering the diversity of synthesized images, the reward model usually provides inaccurate feedback when encountering newly generated data, which can undermine the training process. To address this limitation, we propose an uncertainty-aware reward modeling, called Ctrl-U, including uncertainty estimation and uncertainty-aware regularization, designed to reduce the adverse effects of imprecise feedback from the reward model. Given the inherent cognitive uncertainty within reward models, even images generated under identical conditions often result in a relatively large discrepancy in reward loss. Inspired by the observation, we explicitly leverage such prediction variance as an uncertainty indicator. Based on the uncertainty estimation, we regularize the model training by adaptively rectifying the reward. In particular, rewards with lower uncertainty receive higher loss weights, while those with higher uncertainty are given reduced weights to allow for larger variability. The proposed uncertainty regularization facilitates reward fine-tuning through consistency construction. Extensive experiments validate the effectiveness of our methodology in improving the controllability and generation quality, as well as its scalability across diverse conditional scenarios. Code will soon be available at https://grenoble-zhang.github.io/Ctrl-U-Page/.

Due to the rise of privacy concerns, in many practical applications the training data is aggregated before being shared with the learner, in order to protect privacy of users' sensitive responses. In an aggregate learning framework, the dataset is grouped into bags of samples, where each bag is available only with an aggregate response, providing a summary of individuals' responses in that bag. In this paper, we study two natural loss functions for learning from aggregate responses: bag-level loss and the instance-level loss. In the former, the model is learnt by minimizing a loss between aggregate responses and aggregate model predictions, while in the latter the model aims to fit individual predictions to the aggregate responses. In this work, we show that the instance-level loss can be perceived as a regularized form of the bag-level loss. This observation lets us compare the two approaches with respect to bias and variance of the resulting estimators, and introduce a novel interpolating estimator which combines the two approaches. For linear regression tasks, we provide a precise characterization of the risk of the interpolating estimator in an asymptotic regime where the size of the training set grows in proportion to the features dimension. Our analysis allows us to theoretically understand the effect of different factors, such as bag size on the model prediction risk. In addition, we propose a mechanism for differentially private learning from aggregate responses and derive the optimal bag size in terms of prediction risk-privacy trade-off. We also carry out thorough experiments to corroborate our theory and show the efficacy of the interpolating estimator.

The ubiquity of large-scale Pre-Trained Models (PTMs) is on the rise, sparking interest in model hubs, and dedicated platforms for hosting PTMs. Despite this trend, a comprehensive exploration of the challenges that users encounter and how the community leverages PTMs remains lacking. To address this gap, we conducted an extensive mixed-methods empirical study by focusing on discussion forums and the model hub of HuggingFace, the largest public model hub. Based on our qualitative analysis, we present a taxonomy of the challenges and benefits associated with PTM reuse within this community. We then conduct a quantitative study to track model-type trends and model documentation evolution over time. Our findings highlight prevalent challenges such as limited guidance for beginner users, struggles with model output comprehensibility in training or inference, and a lack of model understanding. We also identified interesting trends among models where some models maintain high upload rates despite a decline in topics related to them. Additionally, we found that despite the introduction of model documentation tools, its quantity has not increased over time, leading to difficulties in model comprehension and selection among users. Our study sheds light on new challenges in reusing PTMs that were not reported before and we provide recommendations for various stakeholders involved in PTM reuse.

Optimizing data mixtures for supervised fine-tuning (SFT) of large language models (LLMs) is critical for developing general-purpose models, yet this area remains underexplored. In this paper, we frame data mixing as an optimization problem and introduce a novel method designed to minimize validation loss. Our approach parametrizes the loss by modeling effective data transferred and leveraging scaling laws for fine-tuning. By experimenting with various small-scale data mixtures, we fit these parameters and derive the optimal weights. We provide both mathematical proofs and empirical results demonstrating that our algorithm achieves excellent overall and individual performance across all domains. Through controlled experiments, we show that models trained with our optimized weights perform on par with those using optimal weights determined via grid search, with per-domain loss only 0.66% higher than the best domain loss from grid search on average. Additionally, we show that reweighting popular SFT datasets using our method improves both validation loss and downstream performance. Finally, we discuss how our method can generalize to guide data selection for domain-specific models and provide insights into SFT.

The task of "unlearning" certain concepts in large language models (LLMs) has attracted immense attention recently, due to its importance for mitigating undesirable model behaviours, such as the generation of harmful, private, or incorrect information. Current protocols to evaluate unlearning methods largely rely on behavioral tests, without monitoring the presence of unlearned knowledge within the model's parameters. This residual knowledge can be adversarially exploited to recover the erased information post-unlearning. We argue that unlearning should also be evaluated internally, by considering changes in the parametric knowledge traces of the unlearned concepts. To this end, we propose a general methodology for eliciting directions in the parameter space (termed "concept vectors") that encode concrete concepts, and construct ConceptVectors, a benchmark dataset containing hundreds of common concepts and their parametric knowledge traces within two open-source LLMs. Evaluation on ConceptVectors shows that existing unlearning methods minimally impact concept vectors, while directly ablating these vectors demonstrably removes the associated knowledge from the LLMs and significantly reduces their susceptibility to adversarial manipulation. Our results highlight limitations in behavioral-based unlearning evaluations and call for future work to include parametric-based evaluations. To support this, we release our code and benchmark at https://github.com/yihuaihong/ConceptVectors.

There is a rapidly growing number of open-source Large Language Models (LLMs) and benchmark datasets to compare them. While some models dominate these benchmarks, no single model typically achieves the best accuracy in all tasks and use cases. In this work, we address the challenge of selecting the best LLM out of a collection of models for new tasks. We propose a new formulation for the problem, in which benchmark datasets are repurposed to learn a "router" model for this LLM selection, and we show that this problem can be reduced to a collection of binary classification tasks. We demonstrate the utility and limitations of learning model routers from various benchmark datasets, where we consistently improve performance upon using any single model for all tasks.

Reward models (RMs) are at the crux of successful RLHF to align pretrained models to human preferences, yet there has been relatively little study that focuses on evaluation of those reward models. Evaluating reward models presents an opportunity to understand the opaque technologies used for alignment of language models and which values are embedded in them. To date, very few descriptors of capabilities, training methods, or open-source reward models exist. In this paper, we present RewardBench, a benchmark dataset and code-base for evaluation, to enhance scientific understanding of reward models. The RewardBench dataset is a collection of prompt-win-lose trios spanning chat, reasoning, and safety, to benchmark how reward models perform on challenging, structured and out-of-distribution queries. We created specific comparison datasets for RMs that have subtle, but verifiable reasons (e.g. bugs, incorrect facts) why one answer should be preferred to another. On the RewardBench leaderboard, we evaluate reward models trained with a variety of methods, such as the direct MLE training of classifiers and the implicit reward modeling of Direct Preference Optimization (DPO), and on a spectrum of datasets. We present many findings on propensity for refusals, reasoning limitations, and instruction following shortcomings of various reward models towards a better understanding of the RLHF process.

We present FLUKE (Framework for LingUistically-driven and tasK-agnostic robustness Evaluation), a task-agnostic framework for assessing model robustness through systematic minimal variations of test data. FLUKE introduces controlled variations across linguistic levels - from orthography to dialect and style varieties - and leverages large language models (LLMs) with human validation to generate modifications. We demonstrate FLUKE's utility by evaluating both fine-tuned models and LLMs across four diverse NLP tasks, and reveal that (1) the impact of linguistic variations is highly task-dependent, with some tests being critical for certain tasks but irrelevant for others; (2) while LLMs have better overall robustness compared to fine-tuned models, they still exhibit significant brittleness to certain linguistic variations; (3) all models show substantial vulnerability to negation modifications across most tasks. These findings highlight the importance of systematic robustness testing for understanding model behaviors.

Despite impressive performance on standard benchmarks, deep neural networks are often brittle when deployed in real-world systems. Consequently, recent research has focused on testing the robustness of such models, resulting in a diverse set of evaluation methodologies ranging from adversarial attacks to rule-based data transformations. In this work, we identify challenges with evaluating NLP systems and propose a solution in the form of Robustness Gym (RG), a simple and extensible evaluation toolkit that unifies 4 standard evaluation paradigms: subpopulations, transformations, evaluation sets, and adversarial attacks. By providing a common platform for evaluation, Robustness Gym enables practitioners to compare results from all 4 evaluation paradigms with just a few clicks, and to easily develop and share novel evaluation methods using a built-in set of abstractions. To validate Robustness Gym's utility to practitioners, we conducted a real-world case study with a sentiment-modeling team, revealing performance degradations of 18%+. To verify that Robustness Gym can aid novel research analyses, we perform the first study of state-of-the-art commercial and academic named entity linking (NEL) systems, as well as a fine-grained analysis of state-of-the-art summarization models. For NEL, commercial systems struggle to link rare entities and lag their academic counterparts by 10%+, while state-of-the-art summarization models struggle on examples that require abstraction and distillation, degrading by 9%+. Robustness Gym can be found at https://robustnessgym.com/

The overarching objective of this paper is two-fold. First, to explore model-based approaches to characterize the primary cause of the noise. in the RE dataset TACRED Second, to identify the potentially noisy instances. Towards the first objective, we analyze predictions and performance of state-of-the-art (SOTA) models to identify the root cause of noise in the dataset. Our analysis of TACRED shows that the majority of the noise in the dataset originates from the instances labeled as no-relation which are negative examples. For the second objective, we explore two nearest-neighbor-based strategies to automatically identify potentially noisy examples for elimination and reannotation. Our first strategy, referred to as Intrinsic Strategy (IS), is based on the assumption that positive examples are clean. Thus, we have used false-negative predictions to identify noisy negative examples. Whereas, our second approach, referred to as Extrinsic Strategy, is based on using a clean subset of the dataset to identify potentially noisy negative examples. Finally, we retrained the SOTA models on the eliminated and reannotated dataset. Our empirical results based on two SOTA models trained on TACRED-E following the IS show an average 4% F1-score improvement, whereas reannotation (TACRED-R) does not improve the original results. However, following ES, SOTA models show the average F1-score improvement of 3.8% and 4.4% when trained on respective eliminated (TACRED-EN) and reannotated (TACRED-RN) datasets respectively. We further extended the ES for cleaning positive examples as well, which resulted in an average performance improvement of 5.8% and 5.6% for the eliminated (TACRED-ENP) and reannotated (TACRED-RNP) datasets respectively.

Error slice discovery is crucial to diagnose and mitigate model errors. Current clustering or discrete attribute-based slice discovery methods face key limitations: 1) clustering results in incoherent slices, while assigning discrete attributes to slices leads to incomplete coverage of error patterns due to missing or insufficient attributes; 2) these methods lack complex reasoning, preventing them from fully explaining model biases; 3) they fail to integrate domain knowledge, limiting their usage in specialized fields \eg radiology. We propose\ladder (Language-Driven Discovery and Error Rectification), to address the limitations by: (1) leveraging the flexibility of natural language to address incompleteness, (2) employing LLM's latent domain knowledge and advanced reasoning to analyze sentences and derive testable hypotheses directly, identifying biased attributes, and form coherent error slices without clustering. Existing mitigation methods typically address only the worst-performing group, often amplifying errors in other subgroups. In contrast,\ladder generates pseudo attributes from the discovered hypotheses to mitigate errors across all biases without explicit attribute annotations or prior knowledge of bias. Rigorous evaluations on 6 datasets spanning natural and medical images -- comparing 200+ classifiers with diverse architectures, pretraining strategies, and LLMs -- show that\ladder consistently outperforms existing baselines in discovering and mitigating biases.

Large language models (LLMs) fine-tuned with alignment techniques, such as reinforcement learning from human feedback, have been instrumental in developing some of the most capable AI systems to date. Despite their success, existing methods typically rely on simple binary labels, such as those indicating preferred outputs in pairwise preferences, which fail to capture the subtle differences in relative quality between pairs. To address this limitation, we introduce an approach called Margin Matching Preference Optimization (MMPO), which incorporates relative quality margins into optimization, leading to improved LLM policies and reward models. Specifically, given quality margins in pairwise preferences, we design soft target probabilities based on the Bradley-Terry model, which are then used to train models with the standard cross-entropy objective. Experiments with both human and AI feedback data demonstrate that MMPO consistently outperforms baseline methods, often by a substantial margin, on popular benchmarks including MT-bench and RewardBench. Notably, the 7B model trained with MMPO achieves state-of-the-art performance on RewardBench as of June 2024, outperforming other models of the same scale. Our analysis also shows that MMPO is more robust to overfitting, leading to better-calibrated models.

The key components of machine learning are data samples for training, model for learning patterns, and loss function for optimizing accuracy. Analogously, unlearning can potentially be achieved through anti-data samples (or anti-samples), unlearning method, and reversed loss function. While prior research has explored unlearning methods and reversed loss functions, the potential of anti-samples remains largely untapped. In this paper, we introduce UnSTAR: Unlearning with Self-Taught Anti-Sample Reasoning for large language models (LLMs). Our contributions are threefold; first, we propose a novel concept of anti-sample-induced unlearning; second, we generate anti-samples by leveraging misleading rationales, which help reverse learned associations and accelerate the unlearning process; and third, we enable fine-grained targeted unlearning, allowing for the selective removal of specific associations without impacting related knowledge - something not achievable by previous works. Results demonstrate that anti-samples offer an efficient, targeted unlearning strategy for LLMs, opening new avenues for privacy-preserving machine learning and model modification.

We investigate the predictability of large language model (LLM) capabilities: given records of past experiments using different model families, numbers of parameters, tasks, and numbers of in-context examples, can we accurately predict LLM performance on new experiment configurations? Answering this question has practical implications for LLM users (e.g., deciding which models to try), developers (e.g., prioritizing evaluation on representative tasks), and the research community (e.g., identifying hard-to-predict capabilities that warrant further investigation). We study the performance prediction problem on experiment records from BIG-bench. On a random train-test split, an MLP-based predictor achieves an R^2 score greater than 95%, indicating the presence of learnable patterns within the experiment records. We then formulate the problem of searching for "small-bench," an informative subset of BIG-bench tasks from which the performance on the full set can be maximally recovered. We find a subset as informative as BIG-bench Hard for evaluating new model families, while being 3times smaller. Additionally, we find competitive subsets by clustering task representations learned by our MLP-based predictor and selecting tasks close to cluster centroids, highlighting the importance of task diversity in constructing "small-bench."

The impressive performance of Large Language Models (LLMs) has consistently surpassed numerous human-designed benchmarks, presenting new challenges in assessing the shortcomings of LLMs. Designing tasks and finding LLMs' limitations are becoming increasingly important. In this paper, we investigate the question of whether an LLM can discover its own limitations from the errors it makes. To this end, we propose a Self-Challenge evaluation framework with human-in-the-loop. Starting from seed instances that GPT-4 fails to answer, we prompt GPT-4 to summarize error patterns that can be used to generate new instances and incorporate human feedback on them to refine these patterns for generating more challenging data, iteratively. We end up with 8 diverse patterns, such as text manipulation and questions with assumptions. We then build a benchmark, SC-G4, consisting of 1,835 instances generated by GPT-4 using these patterns, with human-annotated gold responses. The SC-G4 serves as a challenging benchmark that allows for a detailed assessment of LLMs' abilities. Our results show that only 44.96\% of instances in SC-G4 can be answered correctly by GPT-4. Interestingly, our pilot study indicates that these error patterns also challenge other LLMs, such as Claude-3 and Llama-3, and cannot be fully resolved through fine-tuning. Our work takes the first step to demonstrate that LLMs can autonomously identify their inherent flaws and provide insights for future dynamic and automatic evaluation.

Failure of machine learning models to generalize to new data is a core problem limiting the reliability of AI systems, partly due to the lack of simple and robust methods for comparing new data to the original training dataset. We propose a standardized approach for assessing data similarity in a model-agnostic manner by constructing a supervised autoencoder for generalizability estimation (SAGE). We compare points in a low-dimensional embedded latent space, defining empirical probability measures for k-Nearest Neighbors (kNN) distance, reconstruction of inputs and task-based performance. As proof of concept for classification tasks, we use MNIST and CIFAR-10 to demonstrate how an ensemble output probability score can separate deformed images from a mixture of typical test examples, and how this SAGE score is robust to transformations of increasing severity. As further proof of concept, we extend this approach to a regression task using non-imaging data (UCI Abalone). In all cases, we show that out-of-the-box model performance increases after SAGE score filtering, even when applied to data from the model's own training and test datasets. Our out-of-distribution scoring method can be introduced during several steps of model construction and assessment, leading to future improvements in responsible deep learning implementation.

We identify label errors in the test sets of 10 of the most commonly-used computer vision, natural language, and audio datasets, and subsequently study the potential for these label errors to affect benchmark results. Errors in test sets are numerous and widespread: we estimate an average of at least 3.3% errors across the 10 datasets, where for example label errors comprise at least 6% of the ImageNet validation set. Putative label errors are identified using confident learning algorithms and then human-validated via crowdsourcing (51% of the algorithmically-flagged candidates are indeed erroneously labeled, on average across the datasets). Traditionally, machine learning practitioners choose which model to deploy based on test accuracy - our findings advise caution here, proposing that judging models over correctly labeled test sets may be more useful, especially for noisy real-world datasets. Surprisingly, we find that lower capacity models may be practically more useful than higher capacity models in real-world datasets with high proportions of erroneously labeled data. For example, on ImageNet with corrected labels: ResNet-18 outperforms ResNet-50 if the prevalence of originally mislabeled test examples increases by just 6%. On CIFAR-10 with corrected labels: VGG-11 outperforms VGG-19 if the prevalence of originally mislabeled test examples increases by just 5%. Test set errors across the 10 datasets can be viewed at https://labelerrors.com and all label errors can be reproduced by https://github.com/cleanlab/label-errors.

Multiple Instance Learning (MIL) is a sub-domain of classification problems with positive and negative labels and a "bag" of inputs, where the label is positive if and only if a positive element is contained within the bag, and otherwise is negative. Training in this context requires associating the bag-wide label to instance-level information, and implicitly contains a causal assumption and asymmetry to the task (i.e., you can't swap the labels without changing the semantics). MIL problems occur in healthcare (one malignant cell indicates cancer), cyber security (one malicious executable makes an infected computer), and many other tasks. In this work, we examine five of the most prominent deep-MIL models and find that none of them respects the standard MIL assumption. They are able to learn anti-correlated instances, i.e., defaulting to "positive" labels until seeing a negative counter-example, which should not be possible for a correct MIL model. We suspect that enhancements and other works derived from these models will share the same issue. In any context in which these models are being used, this creates the potential for learning incorrect models, which creates risk of operational failure. We identify and demonstrate this problem via a proposed "algorithmic unit test", where we create synthetic datasets that can be solved by a MIL respecting model, and which clearly reveal learning that violates MIL assumptions. The five evaluated methods each fail one or more of these tests. This provides a model-agnostic way to identify violations of modeling assumptions, which we hope will be useful for future development and evaluation of MIL models.

Existing benchmarks have proven effective for assessing the performance of fully trained large language models. However, we find striking differences in the early training stages of small models, where benchmarks often fail to provide meaningful or discriminative signals. To explore how these differences arise, this competition tackles the challenge of designing scientific knowledge evaluation tasks specifically tailored for measuring early training progress of language models. Participants are invited to develop novel evaluation methodologies or adapt existing benchmarks to better capture performance differences among language models. To support this effort, we provide three pre-trained small models (0.5B, 1B, and 3B parameters), along with intermediate checkpoints sampled during training up to 200B tokens. All experiments and development work can be run on widely available free cloud-based GPU platforms, making participation accessible to researchers with limited computational resources. Submissions will be evaluated based on three criteria: the quality of the performance signal they produce, the consistency of model rankings at 1 trillion tokens of training, and their relevance to the scientific knowledge domain. By promoting the design of tailored evaluation strategies for early training, this competition aims to attract a broad range of participants from various disciplines, including those who may not be machine learning experts or have access to dedicated GPU resources. Ultimately, this initiative seeks to make foundational LLM research more systematic and benchmark-informed from the earliest phases of model development.

The deployment of machine learning models in operational contexts represents a significant investment for any organisation. Consequently, the risk of these models being misappropriated by competitors needs to be addressed. In recent years, numerous proposals have been put forth to detect instances of model stealing. However, these proposals operate under implicit and disparate data and model access assumptions; as a consequence, it remains unclear how they can be effectively compared to one another. Our evaluation shows that a simple baseline that we introduce performs on par with existing state-of-the-art fingerprints, which, on the other hand, are much more complex. To uncover the reasons behind this intriguing result, this paper introduces a systematic approach to both the creation of model fingerprinting schemes and their evaluation benchmarks. By dividing model fingerprinting into three core components -- Query, Representation and Detection (QuRD) -- we are able to identify sim100 previously unexplored QuRD combinations and gain insights into their performance. Finally, we introduce a set of metrics to compare and guide the creation of more representative model stealing detection benchmarks. Our approach reveals the need for more challenging benchmarks and a sound comparison with baselines. To foster the creation of new fingerprinting schemes and benchmarks, we open-source our fingerprinting toolbox.

We study the data selection problem, whose aim is to select a small representative subset of data that can be used to efficiently train a machine learning model. We present a new data selection approach based on k-means clustering and sensitivity sampling. Assuming access to an embedding representation of the data with respect to which the model loss is H\"older continuous, our approach provably allows selecting a set of ``typical'' k + 1/varepsilon^2 elements whose average loss corresponds to the average loss of the whole dataset, up to a multiplicative (1pmvarepsilon) factor and an additive varepsilon lambda Phi_k, where Phi_k represents the k-means cost for the input embeddings and lambda is the H\"older constant. We furthermore demonstrate the performance and scalability of our approach on fine-tuning foundation models and show that it outperforms state-of-the-art methods. We also show how it can be applied on linear regression, leading to a new sampling strategy that surprisingly matches the performances of leverage score sampling, while being conceptually simpler and more scalable.

Pretraining datasets for large language models (LLMs) have grown to trillions of tokens composed of large amounts of CommonCrawl (CC) web scrape along with smaller, domain-specific datasets. It is expensive to understand the impact of these domain-specific datasets on model capabilities as training at large FLOP scales is required to reveal significant changes to difficult and emergent benchmarks. Given the increasing cost of experimenting with pretraining data, how does one determine the optimal balance between the diversity in general web scrapes and the information density of domain specific data? In this work, we show how to leverage the smaller domain specific datasets by upsampling them relative to CC at the end of training to drive performance improvements on difficult benchmarks. This simple technique allows us to improve up to 6.90 pp on MMLU, 8.26 pp on GSM8K, and 6.17 pp on HumanEval relative to the base data mix for a 7B model trained for 1 trillion (T) tokens, thus rivaling Llama-2 (7B)x2014a model trained for twice as long. We experiment with ablating the duration of domain upsampling from 5% to 30% of training and find that 10% to 20% percent is optimal for navigating the tradeoff between general language modeling capabilities and targeted benchmarks. We also use domain upsampling to characterize at scale the utility of individual datasets for improving various benchmarks by removing them during this final phase of training. This tool opens up the ability to experiment with the impact of different pretraining datasets at scale, but at an order of magnitude lower cost compared to full pretraining runs.

Large language models (LLMs) often appear to excel on public benchmarks, but these high scores may mask an overreliance on dataset-specific surface cues rather than true language understanding. We introduce the Chameleon Benchmark Overfit Detector (C-BOD), a meta-evaluation framework that systematically distorts benchmark prompts via a parametric transformation and detects overfitting of LLMs. By rephrasing inputs while preserving their semantic content and labels, C-BOD exposes whether a model's performance is driven by memorized patterns. Evaluated on the MMLU benchmark using 26 leading LLMs, our method reveals an average performance degradation of 2.15% under modest perturbations, with 20 out of 26 models exhibiting statistically significant differences. Notably, models with higher baseline accuracy exhibit larger performance differences under perturbation, and larger LLMs tend to be more sensitive to rephrasings indicating that both cases may overrely on fixed prompt patterns. In contrast, the Llama family and models with lower baseline accuracy show insignificant degradation, suggesting reduced dependency on superficial cues. Moreover, C-BOD's dataset- and model-agnostic design allows easy integration into training pipelines to promote more robust language understanding. Our findings challenge the community to look beyond leaderboard scores and prioritize resilience and generalization in LLM evaluation.

Characterizing samples that are difficult to learn from is crucial to developing highly performant ML models. This has led to numerous Hardness Characterization Methods (HCMs) that aim to identify "hard" samples. However, there is a lack of consensus regarding the definition and evaluation of "hardness". Unfortunately, current HCMs have only been evaluated on specific types of hardness and often only qualitatively or with respect to downstream performance, overlooking the fundamental quantitative identification task. We address this gap by presenting a fine-grained taxonomy of hardness types. Additionally, we propose the Hardness Characterization Analysis Toolkit (H-CAT), which supports comprehensive and quantitative benchmarking of HCMs across the hardness taxonomy and can easily be extended to new HCMs, hardness types, and datasets. We use H-CAT to evaluate 13 different HCMs across 8 hardness types. This comprehensive evaluation encompassing over 14K setups uncovers strengths and weaknesses of different HCMs, leading to practical tips to guide HCM selection and future development. Our findings highlight the need for more comprehensive HCM evaluation, while we hope our hardness taxonomy and toolkit will advance the principled evaluation and uptake of data-centric AI methods.

Training language models currently requires pre-determining a fixed compute budget because the typical cosine learning rate schedule depends on the total number of steps. In contrast, the Warmup-Stable-Decay (WSD) schedule uses a constant learning rate to produce a main branch of iterates that can in principle continue indefinitely without a pre-specified compute budget. Then, given any compute budget, one can branch out from the main branch at a proper time with a rapidly decaying learning rate to produce a strong model. Empirically, WSD generates a non-traditional loss curve: the loss remains elevated during the stable phase but sharply declines during the decay phase. Towards explaining this phenomenon, we conjecture that pretraining loss exhibits a river valley landscape, which resembles a deep valley with a river at its bottom. Under this assumption, we show that during the stable phase, the iterate undergoes large oscillations due to the high learning rate, yet it progresses swiftly along the river. During the decay phase, the rapidly dropping learning rate minimizes the iterate's oscillations, moving it closer to the river and revealing true optimization progress. Therefore, the sustained high learning rate phase and fast decaying phase are responsible for progress in the river and the mountain directions respectively, and are both critical. Our analysis predicts phenomenons consistent with empirical observations and shows that this landscape can emerge from pretraining on a simple bi-gram dataset. Inspired by the theory, we introduce WSD-S, a variant of WSD that reuses previous checkpoints' decay phases and keeps only one main branch, where we resume from a decayed checkpoint. WSD-S empirically outperforms WSD and Cyclic-Cosine in obtaining multiple language model checkpoints across various compute budgets in a single run for parameters scaling from 0.1B to 1.2B.

Deep learning (DL) creates impactful advances following a virtuous recipe: model architecture search, creating large training data sets, and scaling computation. It is widely believed that growing training sets and models should improve accuracy and result in better products. As DL application domains grow, we would like a deeper understanding of the relationships between training set size, computational scale, and model accuracy improvements to advance the state-of-the-art. This paper presents a large scale empirical characterization of generalization error and model size growth as training sets grow. We introduce a methodology for this measurement and test four machine learning domains: machine translation, language modeling, image processing, and speech recognition. Our empirical results show power-law generalization error scaling across a breadth of factors, resulting in power-law exponents---the "steepness" of the learning curve---yet to be explained by theoretical work. Further, model improvements only shift the error but do not appear to affect the power-law exponent. We also show that model size scales sublinearly with data size. These scaling relationships have significant implications on deep learning research, practice, and systems. They can assist model debugging, setting accuracy targets, and decisions about data set growth. They can also guide computing system design and underscore the importance of continued computational scaling.

This paper investigates the fragility of Large Language Models (LLMs) in generalizing to novel inputs, specifically focusing on minor perturbations in well-established benchmarks (e.g., slight changes in question format or distractor length). Despite high benchmark scores, LLMs exhibit significant accuracy drops and unexpected biases (e.g., preference for longer distractors) when faced with these minor but content-preserving modifications. For example, Qwen 2.5 1.5B's MMLU score rises from 60 to 89 and drops from 89 to 36 when option lengths are changed without altering the question. Even GPT-4 experiences a 25-point accuracy loss when question types are changed, with a 6-point drop across all three modification categories. These analyses suggest that LLMs rely heavily on superficial cues rather than forming robust, abstract representations that generalize across formats, lexical variations, and irrelevant content shifts. This work aligns with the ACL 2025 theme track on the Generalization of NLP models, proposing a "Generalization Stress Test" to assess performance shifts under controlled perturbations. The study calls for reevaluating benchmarks and developing more reliable evaluation methodologies to capture LLM generalization abilities better.

Instruction tuning is critical for adapting large language models (LLMs) to downstream tasks, and recent studies have demonstrated that small amounts of human-curated data can outperform larger datasets, challenging traditional data scaling laws. While LLM-based data quality rating systems offer a cost-effective alternative to human annotation, they often suffer from inaccuracies and biases, even in powerful models like GPT-4. In this work, we introduce DS2, a Diversity-aware Score curation method for Data Selection. By systematically modeling error patterns through a score transition matrix, DS2 corrects LLM-based scores and promotes diversity in the selected data samples. Our approach shows that a curated subset (just 3.3% of the original dataset) outperforms full-scale datasets (300k samples) across various machine-alignment benchmarks, and matches or surpasses human-aligned datasets such as LIMA with the same sample size (1k samples). These findings challenge conventional data scaling assumptions, highlighting that redundant, low-quality samples can degrade performance and reaffirming that "more can be less."

A key challenge in Domain Generalization (DG) is preventing overfitting to source domains, which can be mitigated by finding flatter minima in the loss landscape. In this work, we propose Quantization-aware Training for Domain Generalization (QT-DoG) and demonstrate that weight quantization effectively leads to flatter minima in the loss landscape, thereby enhancing domain generalization. Unlike traditional quantization methods focused on model compression, QT-DoG exploits quantization as an implicit regularizer by inducing noise in model weights, guiding the optimization process toward flatter minima that are less sensitive to perturbations and overfitting. We provide both an analytical perspective and empirical evidence demonstrating that quantization inherently encourages flatter minima, leading to better generalization across domains. Moreover, with the benefit of reducing the model size through quantization, we demonstrate that an ensemble of multiple quantized models further yields superior accuracy than the state-of-the-art DG approaches with no computational or memory overheads. Code is released at: https://saqibjaved1.github.io/QT_DoG/.

Training large models is both resource-intensive and time-consuming, making it crucial to understand the quantitative relationship between model performance and hyperparameters. In this paper, we present an empirical law that describes how the pretraining loss of large language models evolves under different learning rate schedules, such as constant, cosine, and step decay schedules. Our proposed law takes a multi-power form, combining a power law based on the sum of learning rates and additional power laws to account for a loss reduction effect induced by learning rate decay. We extensively validate this law on various model sizes and architectures, and demonstrate that after fitting on a few learning rate schedules, the law accurately predicts the loss curves for unseen schedules of different shapes and horizons. Moreover, by minimizing the predicted final pretraining loss across learning rate schedules, we are able to find a schedule that outperforms the widely used cosine learning rate schedule. Interestingly, this automatically discovered schedule bears some resemblance to the recently proposed Warmup-Stable-Decay (WSD) schedule (Hu et al, 2024) but achieves a slightly lower final loss. We believe these results could offer valuable insights for understanding the dynamics of pretraining and designing learning rate schedules to improve efficiency.

Machine learning models often perform poorly on subgroups that are underrepresented in the training data. Yet, little is understood on the variation in mechanisms that cause subpopulation shifts, and how algorithms generalize across such diverse shifts at scale. In this work, we provide a fine-grained analysis of subpopulation shift. We first propose a unified framework that dissects and explains common shifts in subgroups. We then establish a comprehensive benchmark of 20 state-of-the-art algorithms evaluated on 12 real-world datasets in vision, language, and healthcare domains. With results obtained from training over 10,000 models, we reveal intriguing observations for future progress in this space. First, existing algorithms only improve subgroup robustness over certain types of shifts but not others. Moreover, while current algorithms rely on group-annotated validation data for model selection, we find that a simple selection criterion based on worst-class accuracy is surprisingly effective even without any group information. Finally, unlike existing works that solely aim to improve worst-group accuracy (WGA), we demonstrate the fundamental tradeoff between WGA and other important metrics, highlighting the need to carefully choose testing metrics. Code and data are available at: https://github.com/YyzHarry/SubpopBench.

This paper introduces RiskCards, a framework for structured assessment and documentation of risks associated with an application of language models. As with all language, text generated by language models can be harmful, or used to bring about harm. Automating language generation adds both an element of scale and also more subtle or emergent undesirable tendencies to the generated text. Prior work establishes a wide variety of language model harms to many different actors: existing taxonomies identify categories of harms posed by language models; benchmarks establish automated tests of these harms; and documentation standards for models, tasks and datasets encourage transparent reporting. However, there is no risk-centric framework for documenting the complexity of a landscape in which some risks are shared across models and contexts, while others are specific, and where certain conditions may be required for risks to manifest as harms. RiskCards address this methodological gap by providing a generic framework for assessing the use of a given language model in a given scenario. Each RiskCard makes clear the routes for the risk to manifest harm, their placement in harm taxonomies, and example prompt-output pairs. While RiskCards are designed to be open-source, dynamic and participatory, we present a "starter set" of RiskCards taken from a broad literature survey, each of which details a concrete risk presentation. Language model RiskCards initiate a community knowledge base which permits the mapping of risks and harms to a specific model or its application scenario, ultimately contributing to a better, safer and shared understanding of the risk landscape.

A large-scale deep model pre-trained on massive labeled or unlabeled data transfers well to downstream tasks. Linear evaluation freezes parameters in the pre-trained model and trains a linear classifier separately, which is efficient and attractive for transfer. However, little work has investigated the classifier in linear evaluation except for the default logistic regression. Inspired by the statistical efficiency of naive Bayes, the paper revisits the classical topic on discriminative vs. generative classifiers. Theoretically, the paper considers the surrogate loss instead of the zero-one loss in analyses and generalizes the classical results from binary cases to multiclass ones. We show that, under mild assumptions, multiclass naive Bayes requires O(log n) samples to approach its asymptotic error while the corresponding multiclass logistic regression requires O(n) samples, where n is the feature dimension. To establish it, we present a multiclass H-consistency bound framework and an explicit bound for logistic loss, which are of independent interests. Simulation results on a mixture of Gaussian validate our theoretical findings. Experiments on various pre-trained deep vision models show that naive Bayes consistently converges faster as the number of data increases. Besides, naive Bayes shows promise in few-shot cases and we observe the "two regimes" phenomenon in pre-trained supervised models. Our code is available at https://github.com/ML-GSAI/Revisiting-Dis-vs-Gen-Classifiers.

Unsupervised Domain Adaptation (DA) consists of adapting a model trained on a labeled source domain to perform well on an unlabeled target domain with some data distribution shift. While many methods have been proposed in the literature, fair and realistic evaluation remains an open question, particularly due to methodological difficulties in selecting hyperparameters in the unsupervised setting. With SKADA-bench, we propose a framework to evaluate DA methods on diverse modalities, beyond computer vision task that have been largely explored in the literature. We present a complete and fair evaluation of existing shallow algorithms, including reweighting, mapping, and subspace alignment. Realistic hyperparameter selection is performed with nested cross-validation and various unsupervised model selection scores, on both simulated datasets with controlled shifts and real-world datasets across diverse modalities, such as images, text, biomedical, and tabular data. Our benchmark highlights the importance of realistic validation and provides practical guidance for real-life applications, with key insights into the choice and impact of model selection approaches. SKADA-bench is open-source, reproducible, and can be easily extended with novel DA methods, datasets, and model selection criteria without requiring re-evaluating competitors. SKADA-bench is available on Github at https://github.com/scikit-adaptation/skada-bench.

Neural Architecture Search methods are effective but often use complex algorithms to come up with the best architecture. We propose an approach with three basic steps that is conceptually much simpler. First we train N random architectures to generate N (architecture, validation accuracy) pairs and use them to train a regression model that predicts accuracy based on the architecture. Next, we use this regression model to predict the validation accuracies of a large number of random architectures. Finally, we train the top-K predicted architectures and deploy the model with the best validation result. While this approach seems simple, it is more than 20 times as sample efficient as Regularized Evolution on the NASBench-101 benchmark and can compete on ImageNet with more complex approaches based on weight sharing, such as ProxylessNAS.

Representation learning has significantly driven the field to develop pretrained models that can act as a valuable starting point when transferring to new datasets. With the rising demand for reliable machine learning and uncertainty quantification, there is a need for pretrained models that not only provide embeddings but also transferable uncertainty estimates. To guide the development of such models, we propose the Uncertainty-aware Representation Learning (URL) benchmark. Besides the transferability of the representations, it also measures the zero-shot transferability of the uncertainty estimate using a novel metric. We apply URL to evaluate eleven uncertainty quantifiers that are pretrained on ImageNet and transferred to eight downstream datasets. We find that approaches that focus on the uncertainty of the representation itself or estimate the prediction risk directly outperform those that are based on the probabilities of upstream classes. Yet, achieving transferable uncertainty quantification remains an open challenge. Our findings indicate that it is not necessarily in conflict with traditional representation learning goals. Code is provided under https://github.com/mkirchhof/url .

We conduct a large empirical evaluation to investigate the landscape of distributional robustness in question answering. Our investigation spans over 350 models and 16 question answering datasets, including a diverse set of architectures, model sizes, and adaptation methods (e.g., fine-tuning, adapter tuning, in-context learning, etc.). We find that, in many cases, model variations do not affect robustness and in-distribution performance alone determines out-of-distribution performance. Moreover, our findings indicate that i) zero-shot and in-context learning methods are more robust to distribution shifts than fully fine-tuned models; ii) few-shot prompt fine-tuned models exhibit better robustness than few-shot fine-tuned span prediction models; iii) parameter-efficient and robustness enhancing training methods provide no significant robustness improvements. In addition, we publicly release all evaluations to encourage researchers to further analyze robustness trends for question answering models.

In this work we explore Unsupervised Domain Adaptation (UDA) of pretrained language models for downstream tasks. We introduce UDALM, a fine-tuning procedure, using a mixed classification and Masked Language Model loss, that can adapt to the target domain distribution in a robust and sample efficient manner. Our experiments show that performance of models trained with the mixed loss scales with the amount of available target data and the mixed loss can be effectively used as a stopping criterion during UDA training. Furthermore, we discuss the relationship between A-distance and the target error and explore some limitations of the Domain Adversarial Training approach. Our method is evaluated on twelve domain pairs of the Amazon Reviews Sentiment dataset, yielding 91.74% accuracy, which is an 1.11% absolute improvement over the state-of-the-art.

Interpretability and explainability of deep neural networks are challenging due to their scale, complexity, and the agreeable notions on which the explaining process rests. Previous work, in particular, has focused on representing internal components of neural networks through human-friendly visuals and concepts. On the other hand, in real life, when making a decision, human tends to rely on similar situations and/or associations in the past. Hence arguably, a promising approach to make the model transparent is to design it in a way such that the model explicitly connects the current sample with the seen ones, and bases its decision on these samples. Grounded on that principle, we propose in this paper an explainable, evidence-based memory network architecture, which learns to summarize the dataset and extract supporting evidences to make its decision. Our model achieves state-of-the-art performance on two popular question answering datasets (i.e. TrecQA and WikiQA). Via further analysis, we show that this model can reliably trace the errors it has made in the validation step to the training instances that might have caused these errors. We believe that this error-tracing capability provides significant benefit in improving dataset quality in many applications.

We focus on the problem of species distribution modeling using global-scale presence-only data. Most previous studies have mapped the range of a given species using geographical and environmental features alone. To capture a stronger implicit relationship between species, we encode the taxonomic hierarchy of species using a large language model. This enables range mapping for any taxonomic rank and unseen species without additional supervision. Further, we propose a novel proximity-aware evaluation metric that enables evaluating species distribution models using any pixel-level representation of ground-truth species range map. The proposed metric penalizes the predictions of a model based on its proximity to the ground truth. We describe the effectiveness of our model by systematically evaluating on the task of species range prediction, zero-shot prediction and geo-feature regression against the state-of-the-art. Results show our model outperforms the strong baselines when trained with a variety of multi-label learning losses.

Aligning generative models with human preference via RLHF typically suffers from overoptimization, where an imperfectly learned reward model can misguide the generative model to output undesired responses. We investigate this problem in a principled manner by identifying the source of the misalignment as a form of distributional shift and uncertainty in learning human preferences. To mitigate overoptimization, we first propose a theoretical algorithm that chooses the best policy for an adversarially chosen reward model; one that simultaneously minimizes the maximum likelihood estimation of the loss and a reward penalty term. Here, the reward penalty term is introduced to prevent the policy from choosing actions with spurious high proxy rewards, resulting in provable sample efficiency of the algorithm under a partial coverage style condition. Moving from theory to practice, the proposed algorithm further enjoys an equivalent but surprisingly easy-to-implement reformulation. Using the equivalence between reward models and the corresponding optimal policy, the algorithm features a simple objective that combines: (i) a preference optimization loss that directly aligns the policy with human preference, and (ii) a supervised learning loss that explicitly imitates the policy with a (suitable) baseline distribution. In the context of aligning large language models (LLM), this objective fuses the direct preference optimization (DPO) loss with the supervised fune-tuning (SFT) loss to help mitigate the overoptimization towards undesired responses, for which we name the algorithm Regularized Preference Optimization (RPO). Experiments of aligning LLMs demonstrate the improved performance of RPO compared with DPO baselines. Our work sheds light on the interplay between preference optimization and SFT in tuning LLMs with both theoretical guarantees and empirical evidence.

Error analysis in NLP models is essential to successful model development and deployment. One common approach for diagnosing errors is to identify subpopulations in the dataset where the model produces the most errors. However, existing approaches typically define subpopulations based on pre-defined features, which requires users to form hypotheses of errors in advance. To complement these approaches, we propose iSEA, an Interactive Pipeline for Semantic Error Analysis in NLP Models, which automatically discovers semantically-grounded subpopulations with high error rates in the context of a human-in-the-loop interactive system. iSEA enables model developers to learn more about their model errors through discovered subpopulations, validate the sources of errors through interactive analysis on the discovered subpopulations, and test hypotheses about model errors by defining custom subpopulations. The tool supports semantic descriptions of error-prone subpopulations at the token and concept level, as well as pre-defined higher-level features. Through use cases and expert interviews, we demonstrate how iSEA can assist error understanding and analysis.

This report examines the fine-tuning of Large Language Models (LLMs), integrating theoretical insights with practical applications. It outlines the historical evolution of LLMs from traditional Natural Language Processing (NLP) models to their pivotal role in AI. A comparison of fine-tuning methodologies, including supervised, unsupervised, and instruction-based approaches, highlights their applicability to different tasks. The report introduces a structured seven-stage pipeline for fine-tuning LLMs, spanning data preparation, model initialization, hyperparameter tuning, and model deployment. Emphasis is placed on managing imbalanced datasets and optimization techniques. Parameter-efficient methods like Low-Rank Adaptation (LoRA) and Half Fine-Tuning are explored for balancing computational efficiency with performance. Advanced techniques such as memory fine-tuning, Mixture of Experts (MoE), and Mixture of Agents (MoA) are discussed for leveraging specialized networks and multi-agent collaboration. The report also examines novel approaches like Proximal Policy Optimization (PPO) and Direct Preference Optimization (DPO), which align LLMs with human preferences, alongside pruning and routing optimizations to improve efficiency. Further sections cover validation frameworks, post-deployment monitoring, and inference optimization, with attention to deploying LLMs on distributed and cloud-based platforms. Emerging areas such as multimodal LLMs, fine-tuning for audio and speech, and challenges related to scalability, privacy, and accountability are also addressed. This report offers actionable insights for researchers and practitioners navigating LLM fine-tuning in an evolving landscape.

Adversarial datasets should validate AI robustness by providing samples on which humans perform well, but models do not. However, as models evolve, datasets can become obsolete. Measuring whether a dataset remains adversarial is hindered by the lack of a standardized metric for measuring adversarialness. We propose AdvScore, a human-grounded evaluation metric that assesses a dataset's adversarialness by capturing models' and humans' varying abilities while also identifying poor examples. We then use AdvScore to motivate a new dataset creation pipeline for realistic and high-quality adversarial samples, enabling us to collect an adversarial question answering (QA) dataset, AdvQA. We apply AdvScore using 9,347 human responses and ten language models' predictions to track model improvement over five years, from 2020 to 2024. AdvScore thus provides guidance for achieving robustness comparable with human capabilities. Furthermore, it helps determine to what extent adversarial datasets continue to pose challenges, ensuring that, rather than reflecting outdated or overly artificial difficulties, they effectively test model capabilities.

State-of-the-art LLMs are powered by scaling -- scaling model size, dataset size and cluster size. It is economically infeasible to extensively tune hyperparameter for the largest runs. Instead, approximately optimal hyperparameters must be inferred or transferred from smaller experiments. Hyperparameter transfer across model sizes has been studied in Yang et al. However, hyperparameter transfer across dataset size -- or token horizon -- has not been studied yet. To remedy this we conduct a large scale empirical study on how optimal learning rate (LR) depends on token horizon in LLM training. We first demonstrate that the optimal LR changes significantly with token horizon -- longer training necessitates smaller LR. Secondly we demonstrate the the optimal LR follows a scaling law, and that the optimal LR for longer horizons can be accurately estimated from shorter horizons via such scaling laws. We also provide a rule-of-thumb for transferring LR across token horizons with zero overhead over current practices. Lastly we provide evidence that LLama-1 used too high LR, and estimate the performance hit from this. We thus argue that hyperparameter transfer across data size is an important and overlooked component of LLM training.

Estimating the transferability of publicly available pretrained models to a target task has assumed an important place for transfer learning tasks in recent years. Existing efforts propose metrics that allow a user to choose one model from a pool of pre-trained models without having to fine-tune each model individually and identify one explicitly. With the growth in the number of available pre-trained models and the popularity of model ensembles, it also becomes essential to study the transferability of multiple-source models for a given target task. The few existing efforts study transferability in such multi-source ensemble settings using just the outputs of the classification layer and neglect possible domain or task mismatch. Moreover, they overlook the most important factor while selecting the source models, viz., the cohesiveness factor between them, which can impact the performance and confidence in the prediction of the ensemble. To address these gaps, we propose a novel Optimal tranSport-based suBmOdular tRaNsferability metric (OSBORN) to estimate the transferability of an ensemble of models to a downstream task. OSBORN collectively accounts for image domain difference, task difference, and cohesiveness of models in the ensemble to provide reliable estimates of transferability. We gauge the performance of OSBORN on both image classification and semantic segmentation tasks. Our setup includes 28 source datasets, 11 target datasets, 5 model architectures, and 2 pre-training methods. We benchmark our method against current state-of-the-art metrics MS-LEEP and E-LEEP, and outperform them consistently using the proposed approach.

ML models often exhibit unexpectedly poor behavior when they are deployed in real-world domains. We identify underspecification as a key reason for these failures. An ML pipeline is underspecified when it can return many predictors with equivalently strong held-out performance in the training domain. Underspecification is common in modern ML pipelines, such as those based on deep learning. Predictors returned by underspecified pipelines are often treated as equivalent based on their training domain performance, but we show here that such predictors can behave very differently in deployment domains. This ambiguity can lead to instability and poor model behavior in practice, and is a distinct failure mode from previously identified issues arising from structural mismatch between training and deployment domains. We show that this problem appears in a wide variety of practical ML pipelines, using examples from computer vision, medical imaging, natural language processing, clinical risk prediction based on electronic health records, and medical genomics. Our results show the need to explicitly account for underspecification in modeling pipelines that are intended for real-world deployment in any domain.

Auditing unwanted social bias in language models (LMs) is inherently hard due to the multidisciplinary nature of the work. In addition, the rapid evolution of LMs can make benchmarks irrelevant in no time. Bias auditing is further complicated by LM brittleness: when a presumably biased outcome is observed, is it due to model bias or model brittleness? We propose enlisting the models themselves to help construct bias auditing datasets that remain challenging, and introduce bias measures that distinguish between types of model errors. First, we extend an existing bias benchmark for NLI (BBNLI) using a combination of LM-generated lexical variations, adversarial filtering, and human validation. We demonstrate that the newly created dataset (BBNLInext) is more challenging than BBNLI: on average, BBNLI-next reduces the accuracy of state-of-the-art NLI models from 95.3%, as observed by BBNLI, to 58.6%. Second, we employ BBNLI-next to showcase the interplay between robustness and bias, and the subtlety in differentiating between the two. Third, we point out shortcomings in current bias scores used in the literature and propose bias measures that take into account pro-/anti-stereotype bias and model brittleness. We will publicly release the BBNLI-next dataset to inspire research on rapidly expanding benchmarks to keep up with model evolution, along with research on the robustness-bias interplay in bias auditing. Note: This paper contains offensive text examples.

Advanced applied mathematics problems are underrepresented in existing Large Language Model (LLM) benchmark datasets. To address this, we introduce HARDMath, a dataset inspired by a graduate course on asymptotic methods, featuring challenging applied mathematics problems that require analytical approximation techniques. These problems demand a combination of mathematical reasoning, computational tools, and subjective judgment, making them difficult for LLMs. Our framework auto-generates a large number of problems with solutions validated against numerical ground truths. We evaluate both open- and closed-source LLMs on HARDMath-mini, a sub-sampled test set of 366 problems, as well as on 40 word problems formulated in applied science contexts. Even leading closed-source models like GPT-4 achieve only 43.8% overall accuracy with few-shot Chain-of-Thought prompting, and all models demonstrate significantly lower performance compared to results on existing mathematics benchmark datasets. We additionally conduct a detailed error analysis to gain insights into the failure cases of LLMs. These results demonstrate limitations of current LLM performance on advanced graduate-level applied math problems and underscore the importance of datasets like HARDMath to advance mathematical abilities of LLMs.

Rigorous and reproducible evaluation is critical for assessing the state of the art and for guiding scientific advances in Artificial Intelligence. Evaluation is challenging in practice due to several reasons, including benchmark saturation, lack of transparency in methods used for measurement, development challenges in extracting measurements for generative tasks, and, more generally, the extensive number of capabilities required for a well-rounded comparison across models. We make three contributions to alleviate the above challenges. First, we present Eureka, an open-source framework for standardizing evaluations of large foundation models beyond single-score reporting and rankings. Second, we introduce Eureka-Bench as an extensible collection of benchmarks testing capabilities that (i) are still challenging for state-of-the-art models and (ii) represent fundamental but overlooked language and multimodal capabilities. The inherent space for improvement in non-saturated benchmarks enables us to discover meaningful differences between models at a capability level. Third, using Eureka, we conduct an analysis of 12 state-of-the-art models, providing in-depth insights into failure understanding and model comparison, which can be leveraged to plan targeted improvements. In contrast to recent trends in reports and leaderboards showing absolute rankings and claims for one model or another to be the best, our analysis shows that there is no such best model. Different models have different strengths, but there are models that appear more often than others as best performers for some capabilities. Despite the recent improvements, current models still struggle with several fundamental capabilities including detailed image understanding, benefiting from multimodal input when available rather than fully relying on language, factuality and grounding for information retrieval, and over refusals.

Recent domain generalization (DG) approaches typically use the hypothesis learned on source domains for inference on the unseen target domain. However, such a hypothesis can be arbitrarily far from the optimal one for the target domain, induced by a gap termed ``adaptivity gap''. Without exploiting the domain information from the unseen test samples, adaptivity gap estimation and minimization are intractable, which hinders us to robustify a model to any unknown distribution. In this paper, we first establish a generalization bound that explicitly considers the adaptivity gap. Our bound motivates two strategies to reduce the gap: the first one is ensembling multiple classifiers to enrich the hypothesis space, then we propose effective gap estimation methods for guiding the selection of a better hypothesis for the target. The other method is minimizing the gap directly by adapting model parameters using online target samples. We thus propose Domain-specific Risk Minimization (DRM). During training, DRM models the distributions of different source domains separately; for inference, DRM performs online model steering using the source hypothesis for each arriving target sample. Extensive experiments demonstrate the effectiveness of the proposed DRM for domain generalization with the following advantages: 1) it significantly outperforms competitive baselines on different distributional shift settings; 2) it achieves either comparable or superior accuracies on all source domains compared to vanilla empirical risk minimization; 3) it remains simple and efficient during training, and 4) it is complementary to invariant learning approaches.

As the application space of language models continues to evolve, a natural question to ask is how we can quickly adapt models to new tasks. We approach this classic question from a continual learning perspective, in which we aim to continue fine-tuning models trained on past tasks on new tasks, with the goal of "transferring" relevant knowledge. However, this strategy also runs the risk of doing more harm than good, i.e., negative transfer. In this paper, we construct a new benchmark of task sequences that target different possible transfer scenarios one might face, such as a sequence of tasks with high potential of positive transfer, high potential for negative transfer, no expected effect, or a mixture of each. An ideal learner should be able to maximally exploit information from all tasks that have any potential for positive transfer, while also avoiding the negative effects of any distracting tasks that may confuse it. We then propose a simple, yet effective, learner that satisfies many of our desiderata simply by leveraging a selective strategy for initializing new models from past task checkpoints. Still, limitations remain, and we hope this benchmark can help the community to further build and analyze such learners.

As the number of novel data-driven approaches to material science continues to grow, it is crucial to perform consistent quality, reliability and applicability assessments of model performance. In this paper, we benchmark the Materials Optimal Descriptor Network (MODNet) method and architecture against the recently released MatBench v0.1, a curated test suite of materials datasets. MODNet is shown to outperform current leaders on 6 of the 13 tasks, whilst closely matching the current leaders on a further 2 tasks; MODNet performs particularly well when the number of samples is below 10,000. Attention is paid to two topics of concern when benchmarking models. First, we encourage the reporting of a more diverse set of metrics as it leads to a more comprehensive and holistic comparison of model performance. Second, an equally important task is the uncertainty assessment of a model towards a target domain. Significant variations in validation errors can be observed, depending on the imbalance and bias in the training set (i.e., similarity between training and application space). By using an ensemble MODNet model, confidence intervals can be built and the uncertainty on individual predictions can be quantified. Imbalance and bias issues are often overlooked, and yet are important for successful real-world applications of machine learning in materials science and condensed matter.

We consider the two related problems of detecting if an example is misclassified or out-of-distribution. We present a simple baseline that utilizes probabilities from softmax distributions. Correctly classified examples tend to have greater maximum softmax probabilities than erroneously classified and out-of-distribution examples, allowing for their detection. We assess performance by defining several tasks in computer vision, natural language processing, and automatic speech recognition, showing the effectiveness of this baseline across all. We then show the baseline can sometimes be surpassed, demonstrating the room for future research on these underexplored detection tasks.

Despite the advancement of machine learning techniques in recent years, state-of-the-art systems lack robustness to "real world" events, where the input distributions and tasks encountered by the deployed systems will not be limited to the original training context, and systems will instead need to adapt to novel distributions and tasks while deployed. This critical gap may be addressed through the development of "Lifelong Learning" systems that are capable of 1) Continuous Learning, 2) Transfer and Adaptation, and 3) Scalability. Unfortunately, efforts to improve these capabilities are typically treated as distinct areas of research that are assessed independently, without regard to the impact of each separate capability on other aspects of the system. We instead propose a holistic approach, using a suite of metrics and an evaluation framework to assess Lifelong Learning in a principled way that is agnostic to specific domains or system techniques. Through five case studies, we show that this suite of metrics can inform the development of varied and complex Lifelong Learning systems. We highlight how the proposed suite of metrics quantifies performance trade-offs present during Lifelong Learning system development - both the widely discussed Stability-Plasticity dilemma and the newly proposed relationship between Sample Efficient and Robust Learning. Further, we make recommendations for the formulation and use of metrics to guide the continuing development of Lifelong Learning systems and assess their progress in the future.

The recent explosion in the capabilities of large language models has led to a wave of interest in how best to prompt a model to perform a given task. While it may be tempting to simply choose a prompt based on average performance on a validation set, this can lead to a deployment where unexpectedly poor responses are generated, especially for the worst-off users. To mitigate this prospect, we propose Prompt Risk Control, a lightweight framework for selecting a prompt based on rigorous upper bounds on families of informative risk measures. We offer methods for producing bounds on a diverse set of metrics, including quantities that measure worst-case responses and disparities in generation quality across the population of users. In addition, we extend the underlying statistical bounding techniques to accommodate the possibility of distribution shifts in deployment. Experiments on applications such as open-ended chat, medical question summarization, and code generation highlight how such a framework can foster responsible deployment by reducing the risk of the worst outcomes.

We employ random matrix theory to establish consistency of generalized cross validation (GCV) for estimating prediction risks of sketched ridge regression ensembles, enabling efficient and consistent tuning of regularization and sketching parameters. Our results hold for a broad class of asymptotically free sketches under very mild data assumptions. For squared prediction risk, we provide a decomposition into an unsketched equivalent implicit ridge bias and a sketching-based variance, and prove that the risk can be globally optimized by only tuning sketch size in infinite ensembles. For general subquadratic prediction risk functionals, we extend GCV to construct consistent risk estimators, and thereby obtain distributional convergence of the GCV-corrected predictions in Wasserstein-2 metric. This in particular allows construction of prediction intervals with asymptotically correct coverage conditional on the training data. We also propose an "ensemble trick" whereby the risk for unsketched ridge regression can be efficiently estimated via GCV using small sketched ridge ensembles. We empirically validate our theoretical results using both synthetic and real large-scale datasets with practical sketches including CountSketch and subsampled randomized discrete cosine transforms.

Large language models (LLMs) have demonstrated revolutionary capabilities in understanding complex contexts and performing a wide range of tasks. However, LLMs can also answer questions that are unethical or harmful, raising concerns about their applications. To regulate LLMs' responses to such questions, a training strategy called alignment can help. Yet, alignment can be unexpectedly compromised when fine-tuning an LLM for downstream tasks. This paper focuses on recovering the alignment lost during fine-tuning. We observe that there are two distinct directions inherent in an aligned LLM: the aligned direction and the harmful direction. An LLM is inclined to answer questions in the aligned direction while refusing queries in the harmful direction. Therefore, we propose to recover the harmful direction of the fine-tuned model that has been compromised. Specifically, we restore a small subset of the fine-tuned model's weight parameters from the original aligned model using gradient descent. We also introduce a rollback mechanism to avoid aggressive recovery and maintain downstream task performance. Our evaluation on 125 fine-tuned LLMs demonstrates that our method can reduce their harmful rate (percentage of answering harmful questions) from 33.25\% to 1.74\%, without sacrificing task performance much. In contrast, the existing methods either only reduce the harmful rate to a limited extent or significantly impact the normal functionality. Our code is available at https://github.com/kangyangWHU/LLMAlignment

It is impossible today to pretend that the practice of machine learning is compatible with the idea that training and testing data follow the same distribution. Several authors have recently used ensemble techniques to show how scenarios involving multiple data distributions are best served by representations that are both richer than those obtained by regularizing for the best in-distribution performance, and richer than those obtained under the influence of the implicit sparsity bias of common stochastic gradient procedures. This contribution investigates the use of very high dropout rates instead of ensembles to obtain such rich representations. Although training a deep network from scratch using such dropout rates is virtually impossible, fine-tuning a large pre-trained model under such conditions is not only possible but also achieves out-of-distribution performances that exceed those of both ensembles and weight averaging methods such as model soups. This result has practical significance because the importance of the fine-tuning scenario has considerably grown in recent years. This result also provides interesting insights on the nature of rich representations and on the intrinsically linear nature of fine-tuning a large network using a comparatively small dataset.

We consider the problem of conformal prediction under covariate shift. Given labeled data from a source domain and unlabeled data from a covariate shifted target domain, we seek to construct prediction sets with valid marginal coverage in the target domain. Most existing methods require estimating the unknown likelihood ratio function, which can be prohibitive for high-dimensional data such as images. To address this challenge, we introduce the likelihood ratio regularized quantile regression (LR-QR) algorithm, which combines the pinball loss with a novel choice of regularization in order to construct a threshold function without directly estimating the unknown likelihood ratio. We show that the LR-QR method has coverage at the desired level in the target domain, up to a small error term that we can control. Our proofs draw on a novel analysis of coverage via stability bounds from learning theory. Our experiments demonstrate that the LR-QR algorithm outperforms existing methods on high-dimensional prediction tasks, including a regression task for the Communities and Crime dataset, an image classification task from the WILDS repository, and an LLM question-answering task on the MMLU benchmark.

This paper introduces a new testbed CLIFT (Clinical Shift) for the clinical domain Question-answering task. The testbed includes 7.5k high-quality question answering samples to provide a diverse and reliable benchmark. We performed a comprehensive experimental study and evaluated several QA deep-learning models under the proposed testbed. Despite impressive results on the original test set, the performance degrades when applied to new test sets, which shows the distribution shift. Our findings emphasize the need for and the potential for increasing the robustness of clinical domain models under distributional shifts. The testbed offers one way to track progress in that direction. It also highlights the necessity of adopting evaluation metrics that consider robustness to natural distribution shifts. We plan to expand the corpus by adding more samples and model results. The full paper and the updated benchmark are available at github.com/openlifescience-ai/clift

We present a method to integrate Large Language Models (LLMs) and traditional tabular data classification techniques, addressing LLMs challenges like data serialization sensitivity and biases. We introduce two strategies utilizing LLMs for ranking categorical variables and generating priors on correlations between continuous variables and targets, enhancing performance in few-shot scenarios. We focus on Logistic Regression, introducing MonotonicLR that employs a non-linear monotonic function for mapping ordinals to cardinals while preserving LLM-determined orders. Validation against baseline models reveals the superior performance of our approach, especially in low-data scenarios, while remaining interpretable.

Unsupervised domain adaptation (UDA) involves adapting a model trained on a label-rich source domain to an unlabeled target domain. However, in real-world scenarios, the absence of target-domain labels makes it challenging to evaluate the performance of deep models after UDA. Additionally, prevailing UDA methods typically rely on adversarial training and self-training, which could lead to model degeneration and negative transfer, further exacerbating the evaluation problem. In this paper, we propose a novel metric called the Transfer Score to address these issues. The transfer score enables the unsupervised evaluation of domain adaptation models by assessing the spatial uniformity of the classifier via model parameters, as well as the transferability and discriminability of the feature space. Based on unsupervised evaluation using our metric, we achieve three goals: (1) selecting the most suitable UDA method from a range of available options, (2) optimizing hyperparameters of UDA models to prevent model degeneration, and (3) identifying the epoch at which the adapted model performs optimally. Our work bridges the gap between UDA research and practical UDA evaluation, enabling a realistic assessment of UDA model performance. We validate the effectiveness of our metric through extensive empirical studies conducted on various public datasets. The results demonstrate the utility of the transfer score in evaluating UDA models and its potential to enhance the overall efficacy of UDA techniques.

In many real-world applications, deployed models encounter inputs that differ from the data seen during training. Out-of-distribution detection identifies whether an input stems from an unseen distribution, while open-world recognition flags such inputs to ensure the system remains robust as ever-emerging, previously unknown categories appear and must be addressed without retraining. Foundation and vision-language models are pre-trained on large and diverse datasets with the expectation of broad generalization across domains, including medical imaging. However, benchmarking these models on test sets with only a few common outlier types silently collapses the evaluation back to a closed-set problem, masking failures on rare or truly novel conditions encountered in clinical use. We therefore present NOVA, a challenging, real-life evaluation-only benchmark of sim900 brain MRI scans that span 281 rare pathologies and heterogeneous acquisition protocols. Each case includes rich clinical narratives and double-blinded expert bounding-box annotations. Together, these enable joint assessment of anomaly localisation, visual captioning, and diagnostic reasoning. Because NOVA is never used for training, it serves as an extreme stress-test of out-of-distribution generalisation: models must bridge a distribution gap both in sample appearance and in semantic space. Baseline results with leading vision-language models (GPT-4o, Gemini 2.0 Flash, and Qwen2.5-VL-72B) reveal substantial performance drops across all tasks, establishing NOVA as a rigorous testbed for advancing models that can detect, localize, and reason about truly unknown anomalies.

In order to train networks for verified adversarial robustness, it is common to over-approximate the worst-case loss over perturbation regions, resulting in networks that attain verifiability at the expense of standard performance. As shown in recent work, better trade-offs between accuracy and robustness can be obtained by carefully coupling adversarial training with over-approximations. We hypothesize that the expressivity of a loss function, which we formalize as the ability to span a range of trade-offs between lower and upper bounds to the worst-case loss through a single parameter (the over-approximation coefficient), is key to attaining state-of-the-art performance. To support our hypothesis, we show that trivial expressive losses, obtained via convex combinations between adversarial attacks and IBP bounds, yield state-of-the-art results across a variety of settings in spite of their conceptual simplicity. We provide a detailed analysis of the relationship between the over-approximation coefficient and performance profiles across different expressive losses, showing that, while expressivity is essential, better approximations of the worst-case loss are not necessarily linked to superior robustness-accuracy trade-offs.

Supervised fine-tuning (SFT) is the standard approach for post-training large language models (LLMs), yet it often shows limited generalization. We trace this limitation to its default training objective: negative log likelihood (NLL). While NLL is classically optimal when training from scratch, post-training operates in a different paradigm and could violate its optimality assumptions, where models already encode task-relevant priors and supervision can be long and noisy. To this end, we study a general family of probability-based objectives and characterize their effectiveness under different conditions. Through comprehensive experiments and extensive ablation studies across 7 model backbones, 14 benchmarks, and 3 domains, we uncover a critical dimension that governs objective behavior: the model-capability continuum. Near the model-strong end, prior-leaning objectives that downweight low-probability tokens (e.g., -p, -p^{10}, thresholded variants) consistently outperform NLL; toward the model-weak end, NLL dominates; in between, no single objective prevails. Our theoretical analysis further elucidates how objectives trade places across the continuum, providing a principled foundation for adapting objectives to model capability. Our code is available at https://github.com/GaotangLi/Beyond-Log-Likelihood.

Language models (LMs) are trained on vast amounts of text data, which may include private and copyrighted content. Data owners may request the removal of their data from a trained model due to privacy or copyright concerns. However, exactly unlearning only these datapoints (i.e., retraining with the data removed) is intractable in modern-day models. This has led to the development of many approximate unlearning algorithms. The evaluation of the efficacy of these algorithms has traditionally been narrow in scope, failing to precisely quantify the success and practicality of the algorithm from the perspectives of both the model deployers and the data owners. We address this issue by proposing MUSE, a comprehensive machine unlearning evaluation benchmark that enumerates six diverse desirable properties for unlearned models: (1) no verbatim memorization, (2) no knowledge memorization, (3) no privacy leakage, (4) utility preservation on data not intended for removal, (5) scalability with respect to the size of removal requests, and (6) sustainability over sequential unlearning requests. Using these criteria, we benchmark how effectively eight popular unlearning algorithms on 7B-parameter LMs can unlearn Harry Potter books and news articles. Our results demonstrate that most algorithms can prevent verbatim memorization and knowledge memorization to varying degrees, but only one algorithm does not lead to severe privacy leakage. Furthermore, existing algorithms fail to meet deployer's expectations because they often degrade general model utility and also cannot sustainably accommodate successive unlearning requests or large-scale content removal. Our findings identify key issues with the practicality of existing unlearning algorithms on language models, and we release our benchmark to facilitate further evaluations: muse-bench.github.io

Large language model (LLM) unlearning is critical in real-world applications where it is necessary to efficiently remove the influence of private, copyrighted, or harmful data from some users. However, existing utility-centric unlearning metrics (based on model utility) may fail to accurately evaluate the extent of unlearning in realistic settings such as when (a) the forget and retain set have semantically similar content, (b) retraining the model from scratch on the retain set is impractical, and/or (c) the model owner can improve the unlearning metric without directly performing unlearning on the LLM. This paper presents the first data-centric unlearning metric for LLMs called WaterDrum that exploits robust text watermarking for overcoming these limitations. We also introduce new benchmark datasets for LLM unlearning that contain varying levels of similar data points and can be used to rigorously evaluate unlearning algorithms using WaterDrum. Our code is available at https://github.com/lululu008/WaterDrum and our new benchmark datasets are released at https://huggingface.co/datasets/Glow-AI/WaterDrum-Ax.

With the rapid advancement of Multimodal Large Language Models (MLLMs), numerous evaluation benchmarks have emerged. However, comprehensive assessments of their performance across diverse industrial applications remain limited. In this paper, we introduce MME-Industry, a novel benchmark designed specifically for evaluating MLLMs in industrial settings.The benchmark encompasses 21 distinct domain, comprising 1050 question-answer pairs with 50 questions per domain. To ensure data integrity and prevent potential leakage from public datasets, all question-answer pairs were manually crafted and validated by domain experts. Besides, the benchmark's complexity is effectively enhanced by incorporating non-OCR questions that can be answered directly, along with tasks requiring specialized domain knowledge. Moreover, we provide both Chinese and English versions of the benchmark, enabling comparative analysis of MLLMs' capabilities across these languages. Our findings contribute valuable insights into MLLMs' practical industrial applications and illuminate promising directions for future model optimization research.

Modern ML systems ingest data aggregated from diverse sources, such as synthetic, human-annotated, and live customer traffic. Understanding which examples are important to the performance of a learning algorithm is crucial for efficient model training. Recently, a growing body of literature has given rise to various "influence scores," which use training artifacts such as model confidence or checkpointed gradients to identify important subsets of data. However, these methods have primarily been developed in computer vision settings, and it remains unclear how well they generalize to language-based tasks using pretrained models. In this paper, we explore the applicability of influence scores in language classification tasks. We evaluate a diverse subset of these scores on the SNLI dataset by quantifying accuracy changes in response to pruning training data through random and influence-score-based sampling. We then stress-test one of the scores -- "variance of gradients" (VoG) from Agarwal et al. (2022) -- in an NLU model stack that was exposed to dynamic user speech patterns in a voice assistant type of setting. Our experiments demonstrate that in many cases, encoder-based language models can be finetuned on roughly 50% of the original data without degradation in performance metrics. Along the way, we summarize lessons learned from applying out-of-the-box implementations of influence scores, quantify the effects of noisy and class-imbalanced data, and offer recommendations on score-based sampling for better accuracy and training efficiency.

TACRED (Zhang et al., 2017) is one of the largest, most widely used crowdsourced datasets in Relation Extraction (RE). But, even with recent advances in unsupervised pre-training and knowledge enhanced neural RE, models still show a high error rate. In this paper, we investigate the questions: Have we reached a performance ceiling or is there still room for improvement? And how do crowd annotations, dataset, and models contribute to this error rate? To answer these questions, we first validate the most challenging 5K examples in the development and test sets using trained annotators. We find that label errors account for 8% absolute F1 test error, and that more than 50% of the examples need to be relabeled. On the relabeled test set the average F1 score of a large baseline model set improves from 62.1 to 70.1. After validation, we analyze misclassifications on the challenging instances, categorize them into linguistically motivated error groups, and verify the resulting error hypotheses on three state-of-the-art RE models. We show that two groups of ambiguous relations are responsible for most of the remaining errors and that models may adopt shallow heuristics on the dataset when entities are not masked.

Nearly all practical neural models for classification are trained using cross-entropy loss. Yet this ubiquitous choice is supported by little theoretical or empirical evidence. Recent work (Hui & Belkin, 2020) suggests that training using the (rescaled) square loss is often superior in terms of the classification accuracy. In this paper we propose the "squentropy" loss, which is the sum of two terms: the cross-entropy loss and the average square loss over the incorrect classes. We provide an extensive set of experiments on multi-class classification problems showing that the squentropy loss outperforms both the pure cross entropy and rescaled square losses in terms of the classification accuracy. We also demonstrate that it provides significantly better model calibration than either of these alternative losses and, furthermore, has less variance with respect to the random initialization. Additionally, in contrast to the square loss, squentropy loss can typically be trained using exactly the same optimization parameters, including the learning rate, as the standard cross-entropy loss, making it a true "plug-and-play" replacement. Finally, unlike the rescaled square loss, multiclass squentropy contains no parameters that need to be adjusted.

Empirical Risk Minimization (ERM) is fragile in scenarios with insufficient labeled samples. A vanilla extension of ERM to unlabeled samples is Entropy Minimization (EntMin), which employs the soft-labels of unlabeled samples to guide their learning. However, EntMin emphasizes prediction discriminability while neglecting prediction diversity. To alleviate this issue, in this paper, we rethink the guidance information to utilize unlabeled samples. By analyzing the learning objective of ERM, we find that the guidance information for labeled samples in a specific category is the corresponding label encoding. Inspired by this finding, we propose a Label-Encoding Risk Minimization (LERM). It first estimates the label encodings through prediction means of unlabeled samples and then aligns them with their corresponding ground-truth label encodings. As a result, the LERM ensures both prediction discriminability and diversity, and it can be integrated into existing methods as a plugin. Theoretically, we analyze the relationships between LERM and ERM as well as EntMin. Empirically, we verify the superiority of the LERM under several label insufficient scenarios. The codes are available at https://github.com/zhangyl660/LERM.

We study the problem of learning a neural sampler to generate samples from discrete state spaces where the target probability mass function piproptoe^{-U} is known up to a normalizing constant, which is an important task in fields such as statistical physics, machine learning, combinatorial optimization, etc. To better address this challenging task when the state space has a large cardinality and the distribution is multi-modal, we propose Masked Diffusion Neural Sampler (MDNS), a novel framework for training discrete neural samplers by aligning two path measures through a family of learning objectives, theoretically grounded in the stochastic optimal control of the continuous-time Markov chains. We validate the efficiency and scalability of MDNS through extensive experiments on various distributions with distinct statistical properties, where MDNS learns to accurately sample from the target distributions despite the extremely high problem dimensions and outperforms other learning-based baselines by a large margin. A comprehensive study of ablations and extensions is also provided to demonstrate the efficacy and potential of the proposed framework.

Unsupervised domain adaptation (UDA) refers to a domain adaptation framework in which a learning model is trained based on the labeled samples on the source domain and unlabelled ones in the target domain. The dominant existing methods in the field that rely on the classical covariate shift assumption to learn domain-invariant feature representation have yielded suboptimal performance under the label distribution shift between source and target domains. In this paper, we propose a novel conditional adversarial support alignment (CASA) whose aim is to minimize the conditional symmetric support divergence between the source's and target domain's feature representation distributions, aiming at a more helpful representation for the classification task. We also introduce a novel theoretical target risk bound, which justifies the merits of aligning the supports of conditional feature distributions compared to the existing marginal support alignment approach in the UDA settings. We then provide a complete training process for learning in which the objective optimization functions are precisely based on the proposed target risk bound. Our empirical results demonstrate that CASA outperforms other state-of-the-art methods on different UDA benchmark tasks under label shift conditions.

Evaluating the output of Large Language Models (LLMs) is one of the most critical aspects of building a performant compound AI system. Since the output from LLMs propagate to downstream steps, identifying LLM errors is crucial to system performance. A common task for LLMs in AI systems is tool use. While there are several benchmark environments for evaluating LLMs on this task, they typically only give a success rate without any explanation of the failure cases. To solve this problem, we introduce SpecTool, a new benchmark to identify error patterns in LLM output on tool-use tasks. Our benchmark data set comprises of queries from diverse environments that can be used to test for the presence of seven newly characterized error patterns. Using SPECTOOL , we show that even the most prominent LLMs exhibit these error patterns in their outputs. Researchers can use the analysis and insights from SPECTOOL to guide their error mitigation strategies.

Explaining the decisions of an Artificial Intelligence (AI) model is increasingly critical in many real-world, high-stake applications. Hundreds of papers have either proposed new feature attribution methods, discussed or harnessed these tools in their work. However, despite humans being the target end-users, most attribution methods were only evaluated on proxy automatic-evaluation metrics (Zhang et al. 2018; Zhou et al. 2016; Petsiuk et al. 2018). In this paper, we conduct the first user study to measure attribution map effectiveness in assisting humans in ImageNet classification and Stanford Dogs fine-grained classification, and when an image is natural or adversarial (i.e., contains adversarial perturbations). Overall, feature attribution is surprisingly not more effective than showing humans nearest training-set examples. On a harder task of fine-grained dog categorization, presenting attribution maps to humans does not help, but instead hurts the performance of human-AI teams compared to AI alone. Importantly, we found automatic attribution-map evaluation measures to correlate poorly with the actual human-AI team performance. Our findings encourage the community to rigorously test their methods on the downstream human-in-the-loop applications and to rethink the existing evaluation metrics.

Instance-specific algorithm configuration and algorithm portfolios have been shown to offer significant improvements over single algorithm approaches in a variety of application domains. In the SAT and CSP domains algorithm portfolios have consistently dominated the main competitions in these fields for the past five years. For a portfolio approach to be effective there are two crucial conditions that must be met. First, there needs to be a collection of complementary solvers with which to make a portfolio. Second, there must be a collection of problem features that can accurately identify structural differences between instances. This paper focuses on the latter issue: feature representation, because, unlike SAT, not every problem has well-studied features. We employ the well-known SATzilla feature set, but compute alternative sets on different SAT encodings of CSPs. We show that regardless of what encoding is used to convert the instances, adequate structural information is maintained to differentiate between problem instances, and that this can be exploited to make an effective portfolio-based CSP solver.

We study a family of loss functions named label-distributionally robust (LDR) losses for multi-class classification that are formulated from distributionally robust optimization (DRO) perspective, where the uncertainty in the given label information are modeled and captured by taking the worse case of distributional weights. The benefits of this perspective are several fold: (i) it provides a unified framework to explain the classical cross-entropy (CE) loss and SVM loss and their variants, (ii) it includes a special family corresponding to the temperature-scaled CE loss, which is widely adopted but poorly understood; (iii) it allows us to achieve adaptivity to the uncertainty degree of label information at an instance level. Our contributions include: (1) we study both consistency and robustness by establishing top-k (forall kgeq 1) consistency of LDR losses for multi-class classification, and a negative result that a top-1 consistent and symmetric robust loss cannot achieve top-k consistency simultaneously for all kgeq 2; (2) we propose a new adaptive LDR loss that automatically adapts the individualized temperature parameter to the noise degree of class label of each instance; (3) we demonstrate stable and competitive performance for the proposed adaptive LDR loss on 7 benchmark datasets under 6 noisy label and 1 clean settings against 13 loss functions, and on one real-world noisy dataset. The code is open-sourced at https://github.com/Optimization-AI/ICML2023_LDR.

Learning to Optimize (L2O), a technique that utilizes machine learning to learn an optimization algorithm automatically from data, has gained arising attention in recent years. A generic L2O approach parameterizes the iterative update rule and learns the update direction as a black-box network. While the generic approach is widely applicable, the learned model can overfit and may not generalize well to out-of-distribution test sets. In this paper, we derive the basic mathematical conditions that successful update rules commonly satisfy. Consequently, we propose a novel L2O model with a mathematics-inspired structure that is broadly applicable and generalized well to out-of-distribution problems. Numerical simulations validate our theoretical findings and demonstrate the superior empirical performance of the proposed L2O model.

It has been observed that the input space of deep neural network classifiers can exhibit `fragmentation', where the model function rapidly changes class as the input space is traversed. The severity of this fragmentation tends to follow the double descent curve, achieving a maximum at the interpolation regime. We study this phenomenon in the context of image classification and ask whether fragmentation could be predictive of generalization performance. Using a fragmentation-based complexity measure, we show this to be possible by achieving good performance on the PGDL (Predicting Generalization in Deep Learning) benchmark. In addition, we report on new observations related to fragmentation, namely (i) fragmentation is not limited to the input space but occurs in the hidden representations as well, (ii) fragmentation follows the trends in the validation error throughout training, and (iii) fragmentation is not a direct result of increased weight norms. Together, this indicates that fragmentation is a phenomenon worth investigating further when studying the generalization ability of deep neural networks.

Precision and Recall are two prominent metrics of generative performance, which were proposed to separately measure the fidelity and diversity of generative models. Given their central role in comparing and improving generative models, understanding their limitations are crucially important. To that end, in this work, we identify a critical flaw in the common approximation of these metrics using k-nearest-neighbors, namely, that the very interpretations of fidelity and diversity that are assigned to Precision and Recall can fail in high dimensions, resulting in very misleading conclusions. Specifically, we empirically and theoretically show that as the number of dimensions grows, two model distributions with supports at equal point-wise distance from the support of the real distribution, can have vastly different Precision and Recall regardless of their respective distributions, hence an emergent asymmetry in high dimensions. Based on our theoretical insights, we then provide simple yet effective modifications to these metrics to construct symmetric metrics regardless of the number of dimensions. Finally, we provide experiments on real-world datasets to illustrate that the identified flaw is not merely a pathological case, and that our proposed metrics are effective in alleviating its impact.

The problem of Novel Class Discovery (NCD) consists in extracting knowledge from a labeled set of known classes to accurately partition an unlabeled set of novel classes. While NCD has recently received a lot of attention from the community, it is often solved on computer vision problems and under unrealistic conditions. In particular, the number of novel classes is usually assumed to be known in advance, and their labels are sometimes used to tune hyperparameters. Methods that rely on these assumptions are not applicable in real-world scenarios. In this work, we focus on solving NCD in tabular data when no prior knowledge of the novel classes is available. To this end, we propose to tune the hyperparameters of NCD methods by adapting the k-fold cross-validation process and hiding some of the known classes in each fold. Since we have found that methods with too many hyperparameters are likely to overfit these hidden classes, we define a simple deep NCD model. This method is composed of only the essential elements necessary for the NCD problem and performs impressively well under realistic conditions. Furthermore, we find that the latent space of this method can be used to reliably estimate the number of novel classes. Additionally, we adapt two unsupervised clustering algorithms (k-means and Spectral Clustering) to leverage the knowledge of the known classes. Extensive experiments are conducted on 7 tabular datasets and demonstrate the effectiveness of the proposed method and hyperparameter tuning process, and show that the NCD problem can be solved without relying on knowledge from the novel classes.

Machine unlearning has emerged as a new paradigm to deliberately forget data samples from a given model in order to adhere to stringent regulations. However, existing machine unlearning methods have been primarily focused on classification models, leaving the landscape of unlearning for generative models relatively unexplored. This paper serves as a bridge, addressing the gap by providing a unifying framework of machine unlearning for image-to-image generative models. Within this framework, we propose a computationally-efficient algorithm, underpinned by rigorous theoretical analysis, that demonstrates negligible performance degradation on the retain samples, while effectively removing the information from the forget samples. Empirical studies on two large-scale datasets, ImageNet-1K and Places-365, further show that our algorithm does not rely on the availability of the retain samples, which further complies with data retention policy. To our best knowledge, this work is the first that represents systemic, theoretical, empirical explorations of machine unlearning specifically tailored for image-to-image generative models. Our code is available at https://github.com/jpmorganchase/l2l-generator-unlearning.

NLP benchmarks rely on standardized datasets for training and evaluating models and are crucial for advancing the field. Traditionally, expert annotations ensure high-quality labels; however, the cost of expert annotation does not scale well with the growing demand for larger datasets required by modern models. While crowd-sourcing provides a more scalable solution, it often comes at the expense of annotation precision and consistency. Recent advancements in large language models (LLMs) offer new opportunities to enhance the annotation process, particularly for detecting label errors in existing datasets. In this work, we consider the recent approach of LLM-as-a-judge, leveraging an ensemble of LLMs to flag potentially mislabeled examples. Through a case study of four datasets from the TRUE benchmark, covering different tasks and domains, we empirically analyze the labeling quality of existing datasets, and compare expert, crowd-sourced, and our LLM-based annotations in terms of agreement, label quality, and efficiency, demonstrating the strengths and limitations of each annotation method. Our findings reveal a substantial number of label errors, which, when corrected, induce a significant upward shift in reported model performance. This suggests that many of the LLMs so-called mistakes are due to label errors rather than genuine model failures. Additionally, we discuss the implications of mislabeled data and propose methods to mitigate them in training to improve model performance.

Current model quantization methods have shown their promising capability in reducing storage space and computation complexity. However, due to the diversity of quantization forms supported by different hardware, one limitation of existing solutions is that usually require repeated optimization for different scenarios. How to construct a model with flexible quantization forms has been less studied. In this paper, we explore a one-shot network quantization regime, named Elastic Quantization Neural Networks (EQ-Net), which aims to train a robust weight-sharing quantization supernet. First of all, we propose an elastic quantization space (including elastic bit-width, granularity, and symmetry) to adapt to various mainstream quantitative forms. Secondly, we propose the Weight Distribution Regularization Loss (WDR-Loss) and Group Progressive Guidance Loss (GPG-Loss) to bridge the inconsistency of the distribution for weights and output logits in the elastic quantization space gap. Lastly, we incorporate genetic algorithms and the proposed Conditional Quantization-Aware Accuracy Predictor (CQAP) as an estimator to quickly search mixed-precision quantized neural networks in supernet. Extensive experiments demonstrate that our EQ-Net is close to or even better than its static counterparts as well as state-of-the-art robust bit-width methods. Code can be available at https://github.com/xuke225/EQ-Net.git{https://github.com/xuke225/EQ-Net}.

User specifications or legal frameworks often require information to be removed from pretrained models, including large language models (LLMs). This requires deleting or "forgetting" a set of data points from an already-trained model, which typically degrades its performance on other data points. Thus, a balance must be struck between removing information and keeping the model's other abilities intact, with a failure to balance this trade-off leading to poor deletion or an unusable model. To this end, we propose UPCORE (Utility-Preserving Coreset Selection), a method-agnostic data selection framework for mitigating collateral damage during unlearning. Finding that the model damage is correlated with the variance of the model's representations on the forget set, we selectively prune the forget set to remove outliers, thereby minimizing model degradation after unlearning. We evaluate UPCORE across three standard unlearning methods consistently achieving a superior balance between the competing objectives of deletion efficacy and model preservation. To better evaluate this trade-off, we introduce a new metric, measuring the area-under-the-curve (AUC) across standard metrics. We find that UPCORE improves both standard metrics and AUC, benefitting from positive transfer between the coreset and pruned points while reducing negative transfer from the forget set to points outside of it.

This paper studies the prediction of a target z from a pair of random variables (x,y), where the ground-truth predictor is additive E[z mid x,y] = f_star(x) +g_{star}(y). We study the performance of empirical risk minimization (ERM) over functions f+g, f in F and g in G, fit on a given training distribution, but evaluated on a test distribution which exhibits covariate shift. We show that, when the class F is "simpler" than G (measured, e.g., in terms of its metric entropy), our predictor is more resilient to heterogenous covariate shifts in which the shift in x is much greater than that in y. These results rely on a novel H\"older style inequality for the Dudley integral which may be of independent interest. Moreover, we corroborate our theoretical findings with experiments demonstrating improved resilience to shifts in "simpler" features across numerous domains.

Interpretability is an important area of research for safe deployment of machine learning systems. One particular type of interpretability method attributes model decisions to input features. Despite active development, quantitative evaluation of feature attribution methods remains difficult due to the lack of ground truth: we do not know which input features are in fact important to a model. In this work, we propose a framework for Benchmarking Attribution Methods (BAM) with a priori knowledge of relative feature importance. BAM includes 1) a carefully crafted dataset and models trained with known relative feature importance and 2) three complementary metrics to quantitatively evaluate attribution methods by comparing feature attributions between pairs of models and pairs of inputs. Our evaluation on several widely-used attribution methods suggests that certain methods are more likely to produce false positive explanations---features that are incorrectly attributed as more important to model prediction. We open source our dataset, models, and metrics.

This study presents a novel benchmark for evaluating Large Language Models (LLMs) using challenges derived from the Financial Modeling World Cup (FMWC) Excel competitions. We introduce a methodology for converting 113 existing FMWC challenges into programmatically evaluable JSON formats and use this dataset to compare the performance of several leading LLMs. Our findings demonstrate significant variations in performance across different challenge categories, with models showing specific strengths in pattern recognition tasks but struggling with complex numerical reasoning. The benchmark provides a standardized framework for assessing LLM capabilities in realistic business-oriented tasks rather than abstract academic problems. This research contributes to the growing field of AI benchmarking by establishing proficiency among the 1.5 billion people who daily use Microsoft Excel as a meaningful evaluation metric that bridges the gap between academic AI benchmarks and practical business applications.

Reinforcement Learning from Human Feedback (RLHF) has become the predominant approach for language model (LM) alignment. At its core, RLHF uses a margin-based loss for preference optimization, specifying ideal LM behavior only by the difference between preferred and dispreferred responses. In this paper, we identify a common pitfall of margin-based methods -- the under-specification of ideal LM behavior on preferred and dispreferred responses individually, which leads to two unintended consequences as the margin increases: (1) The probability of dispreferred (e.g., unsafe) responses may increase, resulting in potential safety alignment failures. (2) The probability of preferred responses may decrease, even when those responses are ideal. We demystify the reasons behind these problematic behaviors: margin-based losses couple the change in the preferred probability to the gradient of the dispreferred one, and vice versa, often preventing the preferred probability from increasing while the dispreferred one decreases, and thus causing a synchronized increase or decrease in both probabilities. We term this effect, inherent in margin-based objectives, gradient entanglement. Formally, we derive conditions for general margin-based alignment objectives under which gradient entanglement becomes concerning: the inner product of the gradients of preferred and dispreferred log-probabilities is large relative to the individual gradient norms. We theoretically investigate why such inner products can be large when aligning language models and empirically validate our findings. Empirical implications of our framework extend to explaining important differences in the training dynamics of various preference optimization algorithms, and suggesting potential algorithm designs to mitigate the under-specification issue of margin-based methods and thereby improving language model alignment.

The correct use of model evaluation, model selection, and algorithm selection techniques is vital in academic machine learning research as well as in many industrial settings. This article reviews different techniques that can be used for each of these three subtasks and discusses the main advantages and disadvantages of each technique with references to theoretical and empirical studies. Further, recommendations are given to encourage best yet feasible practices in research and applications of machine learning. Common methods such as the holdout method for model evaluation and selection are covered, which are not recommended when working with small datasets. Different flavors of the bootstrap technique are introduced for estimating the uncertainty of performance estimates, as an alternative to confidence intervals via normal approximation if bootstrapping is computationally feasible. Common cross-validation techniques such as leave-one-out cross-validation and k-fold cross-validation are reviewed, the bias-variance trade-off for choosing k is discussed, and practical tips for the optimal choice of k are given based on empirical evidence. Different statistical tests for algorithm comparisons are presented, and strategies for dealing with multiple comparisons such as omnibus tests and multiple-comparison corrections are discussed. Finally, alternative methods for algorithm selection, such as the combined F-test 5x2 cross-validation and nested cross-validation, are recommended for comparing machine learning algorithms when datasets are small.

Multimodal large language models (MLLMs) remain vulnerable to transferable adversarial examples. While existing methods typically achieve targeted attacks by aligning global features-such as CLIP's [CLS] token-between adversarial and target samples, they often overlook the rich local information encoded in patch tokens. This leads to suboptimal alignment and limited transferability, particularly for closed-source models. To address this limitation, we propose a targeted transferable adversarial attack method based on feature optimal alignment, called FOA-Attack, to improve adversarial transfer capability. Specifically, at the global level, we introduce a global feature loss based on cosine similarity to align the coarse-grained features of adversarial samples with those of target samples. At the local level, given the rich local representations within Transformers, we leverage clustering techniques to extract compact local patterns to alleviate redundant local features. We then formulate local feature alignment between adversarial and target samples as an optimal transport (OT) problem and propose a local clustering optimal transport loss to refine fine-grained feature alignment. Additionally, we propose a dynamic ensemble model weighting strategy to adaptively balance the influence of multiple models during adversarial example generation, thereby further improving transferability. Extensive experiments across various models demonstrate the superiority of the proposed method, outperforming state-of-the-art methods, especially in transferring to closed-source MLLMs. The code is released at https://github.com/jiaxiaojunQAQ/FOA-Attack.

Maintaining consistent model performance across domains is a fundamental challenge in machine learning. While recent work has explored using LLM-generated data for fine-tuning, its impact on cross-domain generalization remains poorly understood. In this paper, we present a systematic analysis revealing that fine-tuning with LLM-generated data not only improves target task performance but also reduces out-of-domain (OOD) degradation compared to fine-tuning with ground truth data. Through analyzing the data sequence in tasks of various domains, we demonstrate that this enhanced OOD robustness stems from a reduced prevalence of high perplexity tokens in LLM-generated sequences. Following this hypothesis we showed that masking high perplexity tokens in ground truth training data also achieves similar OOD preservation comparable to using LLM-generated data. Extensive experiments across diverse model architectures and scales, including Gemma2-2B, Mistral-7B and Llama3-8B, corroborate the consistency of our findings. To the best of our knowledge, this work provides the first mechanistic explanation for the superior OOD robustness conferred by LLM-generated training data, offering valuable insights for developing more robust fine-tuning strategies.

Domain generalization (DG) seeks to learn robust models that generalize well under unknown distribution shifts. As a critical aspect of DG, optimizer selection has not been explored in depth. Currently, most DG methods follow the widely used benchmark, DomainBed, and utilize Adam as the default optimizer for all datasets. However, we reveal that Adam is not necessarily the optimal choice for the majority of current DG methods and datasets. Based on the perspective of loss landscape flatness, we propose a novel approach, Flatness-Aware Minimization for Domain Generalization (FAD), which can efficiently optimize both zeroth-order and first-order flatness simultaneously for DG. We provide theoretical analyses of the FAD's out-of-distribution (OOD) generalization error and convergence. Our experimental results demonstrate the superiority of FAD on various DG datasets. Additionally, we confirm that FAD is capable of discovering flatter optima in comparison to other zeroth-order and first-order flatness-aware optimization methods.

Tool-augmented large language models (LLMs) are rapidly being integrated into real-world applications. Due to the lack of benchmarks, the community still needs to fully understand the hallucination issues within these models. To address this challenge, we introduce a comprehensive diagnostic benchmark, ToolBH. Specifically, we assess the LLM's hallucinations through two perspectives: depth and breadth. In terms of depth, we propose a multi-level diagnostic process, including (1) solvability detection, (2) solution planning, and (3) missing-tool analysis. For breadth, we consider three scenarios based on the characteristics of the toolset: missing necessary tools, potential tools, and limited functionality tools. Furthermore, we developed seven tasks and collected 700 evaluation samples through multiple rounds of manual annotation. The results show the significant challenges presented by the ToolBH benchmark. The current advanced models Gemini-1.5-Pro and GPT-4o only achieve a total score of 45.3 and 37.0, respectively, on a scale of 100. In this benchmark, larger model parameters do not guarantee better performance; the training data and response strategies also play a crucial role in tool-enhanced LLM scenarios. Our diagnostic analysis indicates that the primary reason for model errors lies in assessing task solvability. Additionally, open-weight models suffer from performance drops with verbose replies, whereas proprietary models excel with longer reasoning.

We explore machine unlearning (MU) in the domain of large language models (LLMs), referred to as LLM unlearning. This initiative aims to eliminate undesirable data influence (e.g., sensitive or illegal information) and the associated model capabilities, while maintaining the integrity of essential knowledge generation and not affecting causally unrelated information. We envision LLM unlearning becoming a pivotal element in the life-cycle management of LLMs, potentially standing as an essential foundation for developing generative AI that is not only safe, secure, and trustworthy, but also resource-efficient without the need of full retraining. We navigate the unlearning landscape in LLMs from conceptual formulation, methodologies, metrics, and applications. In particular, we highlight the often-overlooked aspects of existing LLM unlearning research, e.g., unlearning scope, data-model interaction, and multifaceted efficacy assessment. We also draw connections between LLM unlearning and related areas such as model editing, influence functions, model explanation, adversarial training, and reinforcement learning. Furthermore, we outline an effective assessment framework for LLM unlearning and explore its applications in copyright and privacy safeguards and sociotechnical harm reduction.

Domain-adaptive post-training of large language models (LLMs) has emerged as a promising approach for specialized domains such as medicine and finance. However, significant challenges remain in identifying optimal adaptation criteria and training strategies across varying data and model configurations. To address these challenges, we introduce FINDAP, a systematic and fine-grained investigation into domain-adaptive post-training of LLMs for the finance domain. Our approach begins by identifying the core capabilities required for the target domain and designing a comprehensive evaluation suite aligned with these needs. We then analyze the effectiveness of key post-training stages, including continual pretraining, instruction tuning, and preference alignment. Building on these insights, we propose an effective training recipe centered on a novel preference data distillation method, which leverages process signals from a generative reward model. The resulting model, Llama-Fin, achieves state-of-the-art performance across a wide range of financial tasks. Our analysis also highlights how each post-training stage contributes to distinct capabilities, uncovering specific challenges and effective solutions, providing valuable insights for domain adaptation of LLMs. Project page: https://github.com/SalesforceAIResearch/FinDap

Distribution shifts are a major source of failure of deployed machine learning models. However, evaluating a model's reliability under distribution shifts can be challenging, especially since it may be difficult to acquire counterfactual examples that exhibit a specified shift. In this work, we introduce dataset interfaces: a framework which allows users to scalably synthesize such counterfactual examples from a given dataset. Specifically, we represent each class from the input dataset as a custom token within the text space of a text-to-image diffusion model. By incorporating these tokens into natural language prompts, we can then generate instantiations of objects in that dataset under desired distribution shifts. We demonstrate how applying our framework to the ImageNet dataset enables us to study model behavior across a diverse array of shifts, including variations in background, lighting, and attributes of the objects themselves. Code available at https://github.com/MadryLab/dataset-interfaces.

Federated learning (FL) has emerged as a groundbreaking paradigm in machine learning (ML), offering privacy-preserving collaborative model training across diverse datasets. Despite its promise, FL faces significant hurdles in non-identically and independently distributed (non-IID) data scenarios, where most existing methods often struggle with data heterogeneity and lack robustness in performance. This paper introduces Federated Loss Exploration (FedLEx), an innovative approach specifically designed to tackle these challenges. FedLEx distinctively addresses the shortcomings of existing FL methods in non-IID settings by optimizing its learning behavior for scenarios in which assumptions about data heterogeneity are impractical or unknown. It employs a federated loss exploration technique, where clients contribute to a global guidance matrix by calculating gradient deviations for model parameters. This matrix serves as a strategic compass to guide clients' gradient updates in subsequent FL rounds, thereby fostering optimal parameter updates for the global model. FedLEx effectively navigates the complex loss surfaces inherent in non-IID data, enhancing knowledge transfer in an efficient manner, since only a small number of epochs and small amount of data are required to build a strong global guidance matrix that can achieve model convergence without the need for additional data sharing or data distribution statics in a large client scenario. Our extensive experiments with state-of-the art FL algorithms demonstrate significant improvements in performance, particularly under realistic non-IID conditions, thus highlighting FedLEx's potential to overcome critical barriers in diverse FL applications.

Collecting high-quality training examples for language model fine-tuning is expensive, with practical budgets limiting the amount of data that can be procured. We investigate whether example difficulty affects GRPO training effectiveness by comparing selection strategies (easy, medium, hard, random) across multiple models and reasoning tasks. Training on the hardest 10\% of examples (those where the base model fails most often) yields dramatic performance gains up to 47\%, while easy examples produce minimal improvements of 3-15\%. This occurs because GRPO requires outcome variance to generate learning signals; hard examples maintain mixed success/failure outcomes throughout training while easy examples quickly converge to consistent success, eliminating learning opportunities. Moreover, models trained on hard examples show superior out-of-distribution generalization, with only hard-trained models achieving meaningful gains on the AIME2025 benchmark. Our findings provide clear guidance: when budget-constrained, prioritize collecting and annotating examples where your base model struggles, as these drive nearly all learning value in GRPO fine-tuning

Large Language Models (LLMs) have shown remarkable capabilities across various natural language processing tasks but often struggle to excel uniformly in diverse or complex domains. We propose a novel ensemble method - Diverse Fingerprint Ensemble (DFPE), which leverages the complementary strengths of multiple LLMs to achieve more robust performance. Our approach involves: (1) clustering models based on response "fingerprints" patterns, (2) applying a quantile-based filtering mechanism to remove underperforming models at a per-subject level, and (3) assigning adaptive weights to remaining models based on their subject-wise validation accuracy. In experiments on the Massive Multitask Language Understanding (MMLU) benchmark, DFPE outperforms the best single model by 3% overall accuracy and 5% in discipline-level accuracy. This method increases the robustness and generalization of LLMs and underscores how model selection, diversity preservation, and performance-driven weighting can effectively address challenging, multi-faceted language understanding tasks.

Background: Deep learning models are typically trained using stochastic gradient descent or one of its variants. These methods update the weights using their gradient, estimated from a small fraction of the training data. It has been observed that when using large batch sizes there is a persistent degradation in generalization performance - known as the "generalization gap" phenomena. Identifying the origin of this gap and closing it had remained an open problem. Contributions: We examine the initial high learning rate training phase. We find that the weight distance from its initialization grows logarithmically with the number of weight updates. We therefore propose a "random walk on random landscape" statistical model which is known to exhibit similar "ultra-slow" diffusion behavior. Following this hypothesis we conducted experiments to show empirically that the "generalization gap" stems from the relatively small number of updates rather than the batch size, and can be completely eliminated by adapting the training regime used. We further investigate different techniques to train models in the large-batch regime and present a novel algorithm named "Ghost Batch Normalization" which enables significant decrease in the generalization gap without increasing the number of updates. To validate our findings we conduct several additional experiments on MNIST, CIFAR-10, CIFAR-100 and ImageNet. Finally, we reassess common practices and beliefs concerning training of deep models and suggest they may not be optimal to achieve good generalization.

Recent advances in reasoning language models have witnessed a paradigm shift from short to long CoT pattern. Given the substantial computational cost of rollouts in long CoT models, maximizing the utility of fixed training datasets becomes crucial. Our analysis reveals that negative responses contain valuable components such as self-reflection and error-correction steps, yet primary existing methods either completely discard negative samples (RFT) or apply equal penalization across all tokens (RL), failing to leverage these potential learning signals. In light of this, we propose Behavior Constrained Policy Gradient with Negative Sample Augmentation (BCPG-NSA), a fine-grained offline RL framework that encompasses three stages: 1) sample segmentation, 2) consensus-based step correctness assessment combining LLM and PRM judgers, and 3) policy optimization with NSA designed to effectively mine positive steps within negative samples. Experimental results show that BCPG-NSA outperforms baselines on several challenging math/coding reasoning benchmarks using the same training dataset, achieving improved sample efficiency and demonstrating robustness and scalability when extended to multiple iterations.

The ability to identify whether or not a test sample belongs to one of the semantic classes in a classifier's training set is critical to practical deployment of the model. This task is termed open-set recognition (OSR) and has received significant attention in recent years. In this paper, we first demonstrate that the ability of a classifier to make the 'none-of-above' decision is highly correlated with its accuracy on the closed-set classes. We find that this relationship holds across loss objectives and architectures, and further demonstrate the trend both on the standard OSR benchmarks as well as on a large-scale ImageNet evaluation. Second, we use this correlation to boost the performance of a maximum logit score OSR 'baseline' by improving its closed-set accuracy, and with this strong baseline achieve state-of-the-art on a number of OSR benchmarks. Similarly, we boost the performance of the existing state-of-the-art method by improving its closed-set accuracy, but the resulting discrepancy with the strong baseline is marginal. Our third contribution is to present the 'Semantic Shift Benchmark' (SSB), which better respects the task of detecting semantic novelty, in contrast to other forms of distribution shift also considered in related sub-fields, such as out-of-distribution detection. On this new evaluation, we again demonstrate that there is negligible difference between the strong baseline and the existing state-of-the-art. Project Page: https://www.robots.ox.ac.uk/~vgg/research/osr/

In-context learning (ICL) has shown impressive results in few-shot learning tasks, yet its underlying mechanism is still not fully understood. A recent line of work suggests that ICL performs gradient descent (GD)-based optimization implicitly. While appealing, much of the research focuses on simplified settings, where the parameters of a shallow model are optimized. In this work, we revisit evidence for ICL-GD correspondence on realistic NLP tasks and models. We find gaps in evaluation, both in terms of problematic metrics and insufficient baselines. We show that surprisingly, even untrained models achieve comparable ICL-GD similarity scores despite not exhibiting ICL. Next, we explore a major discrepancy in the flow of information throughout the model between ICL and GD, which we term Layer Causality. We propose a simple GD-based optimization procedure that respects layer causality, and show it improves similarity scores significantly.

Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.

Evaluating aligned large language models' (LLMs) ability to recognize and reject unsafe user requests is crucial for safe, policy-compliant deployments. Existing evaluation efforts, however, face three limitations that we address with SORRY-Bench, our proposed benchmark. First, existing methods often use coarse-grained taxonomies of unsafe topics, and are over-representing some fine-grained topics. For example, among the ten existing datasets that we evaluated, tests for refusals of self-harm instructions are over 3x less represented than tests for fraudulent activities. SORRY-Bench improves on this by using a fine-grained taxonomy of 45 potentially unsafe topics, and 450 class-balanced unsafe instructions, compiled through human-in-the-loop methods. Second, linguistic characteristics and formatting of prompts are often overlooked, like different languages, dialects, and more -- which are only implicitly considered in many evaluations. We supplement SORRY-Bench with 20 diverse linguistic augmentations to systematically examine these effects. Third, existing evaluations rely on large LLMs (e.g., GPT-4) for evaluation, which can be computationally expensive. We investigate design choices for creating a fast, accurate automated safety evaluator. By collecting 7K+ human annotations and conducting a meta-evaluation of diverse LLM-as-a-judge designs, we show that fine-tuned 7B LLMs can achieve accuracy comparable to GPT-4 scale LLMs, with lower computational cost. Putting these together, we evaluate over 40 proprietary and open-source LLMs on SORRY-Bench, analyzing their distinctive refusal behaviors. We hope our effort provides a building block for systematic evaluations of LLMs' safety refusal capabilities, in a balanced, granular, and efficient manner.

Given the importance of remote sensing, surprisingly little attention has been paid to it by the representation learning community. To address it and to establish baselines and a common evaluation protocol in this domain, we provide simplified access to 5 diverse remote sensing datasets in a standardized form. Specifically, we investigate in-domain representation learning to develop generic remote sensing representations and explore which characteristics are important for a dataset to be a good source for remote sensing representation learning. The established baselines achieve state-of-the-art performance on these datasets.

Large Language Models (LLMs) require careful safety alignment to prevent malicious outputs. While significant research focuses on mitigating harmful content generation, the enhanced safety often come with the side effect of over-refusal, where LLMs may reject innocuous prompts and become less helpful. Although the issue of over-refusal has been empirically observed, a systematic measurement is challenging due to the difficulty of crafting prompts that appear harmful but are benign. This study proposes a novel method for automatically generating large-scale sets of "seemingly toxic prompts" (benign prompts likely rejected by LLMs). Leveraging this technique, we introduce OR-Bench, the first large-scale over-refusal benchmark. OR-Bench comprises 80,000 seemingly toxic prompts across 10 common rejection categories, a subset of around 1,000 hard prompts that are challenging even for state-of-the-art LLMs, and an additional 600 toxic prompts to prevent indiscriminate responses. We then conduct a comprehensive study to measure the over-refusal of 25 popular LLMs across 8 model families. Our datasets are available at https://huggingface.co/datasets/bench-llm/or-bench and the demo can be found at https://huggingface.co/spaces/bench-llm/or-bench. We hope this benchmark can help the community develop better safety aligned models.

Despite the rapid development of large language models (LLMs), a fundamental challenge persists: the lack of high-quality optimization modeling datasets hampers LLMs' robust modeling of practical optimization problems from natural language descriptions (NL). This data scarcity also contributes to the generalization difficulties experienced by learning-based methods. To address these challenges, we propose a scalable framework for synthesizing a high-quality dataset, named OptMATH. Starting from curated seed data with mathematical formulations (MF), this framework automatically generates problem data (PD) with controllable complexity. Then, a back-translation step is employed to obtain NL. To verify the correspondence between the NL and the PD, a forward modeling step followed by rejection sampling is used. The accepted pairs constitute the training part of OptMATH. Then a collection of rejected pairs is identified and further filtered. This collection serves as a new benchmark for optimization modeling, containing difficult instances whose lengths are much longer than these of NL4OPT and MAMO. Through extensive experiments, we demonstrate that models of various sizes (0.5B-32B parameters) trained on OptMATH achieve superior results on multiple modeling benchmarks, thereby validating the effectiveness and scalability of our approach. Our dataset is publicly available at https://github.com/AuroraLHL/OptMATH.

Common evaluation paradigms for language models focus on scoring single responses through accuracy metrics or proper scoring rules, failing to capture the full richness of a model's belief state. Recent work illustrates that language models hallucinate in-part because they are optimised to be good test-takers under binary scoring schemes that reward any answer over abstention. While this insight naturally leads to penalty-based approaches, they ignore crucial distinctions in how models distribute uncertainty, for example between hedging toward incorrect answers versus hedging toward "I don't know" responses. A novel evaluation metric, the Distributional Correctness Score (DCS), is introduced to solve this problem, i.e., of not considering a model's entire probability distribution over answer choices. DCS naturally distinguishes between harmful overconfidence in wrong answers and uncertainty expressed through abstention, providing scores in an interpretable default range. Through theoretical analysis and illustrative examples, DCS is demonstrated to offer a more nuanced and aligned evaluation paradigm that incentivises models to express genuine uncertainty rather than guessing. Adapting 12 existing evaluation benchmarks to DCS's variants and measuring performance on six language models reveals that for half of the tested benchmarks scores are negative across all tested models, indicating significant tendencies towards hallucination.

Although deep learning has produced dazzling successes for applications of image, speech, and video processing in the past few years, most trainings are with suboptimal hyper-parameters, requiring unnecessarily long training times. Setting the hyper-parameters remains a black art that requires years of experience to acquire. This report proposes several efficient ways to set the hyper-parameters that significantly reduce training time and improves performance. Specifically, this report shows how to examine the training validation/test loss function for subtle clues of underfitting and overfitting and suggests guidelines for moving toward the optimal balance point. Then it discusses how to increase/decrease the learning rate/momentum to speed up training. Our experiments show that it is crucial to balance every manner of regularization for each dataset and architecture. Weight decay is used as a sample regularizer to show how its optimal value is tightly coupled with the learning rates and momentums. Files to help replicate the results reported here are available.

The evaluation of Large Language Models (LLMs) increasingly relies on other LLMs acting as judges. However, current evaluation paradigms typically yield a single score or ranking, answering which model is better but not why. While essential for benchmarking, these top-level scores obscure the specific, actionable reasons behind a model's performance. To bridge this gap, we introduce CLEAR, an interactive, open-source package for LLM-based error analysis. CLEAR first generates per-instance textual feedback, then it creates a set of system-level error issues, and quantifies the prevalence of each identified issue. Our package also provides users with an interactive dashboard that allows for a comprehensive error analysis through aggregate visualizations, applies interactive filters to isolate specific issues or score ranges, and drills down to the individual instances that exemplify a particular behavioral pattern. We demonstrate CLEAR analysis for RAG and Math benchmarks, and showcase its utility through a user case study.

Amid mounting concern about the reliability and credibility of machine learning research, we present a principled framework for making robust and generalizable claims: the multiverse analysis. Our framework builds upon the multiverse analysis (Steegen et al., 2016) introduced in response to psychology's own reproducibility crisis. To efficiently explore high-dimensional and often continuous ML search spaces, we model the multiverse with a Gaussian Process surrogate and apply Bayesian experimental design. Our framework is designed to facilitate drawing robust scientific conclusions about model performance, and thus our approach focuses on exploration rather than conventional optimization. In the first of two case studies, we investigate disputed claims about the relative merit of adaptive optimizers. Second, we synthesize conflicting research on the effect of learning rate on the large batch training generalization gap. For the machine learning community, the multiverse analysis is a simple and effective technique for identifying robust claims, for increasing transparency, and a step toward improved reproducibility.