Daily Papers

Exponential Moving Average (EMA) is a widely used weight averaging (WA) regularization to learn flat optima for better generalizations without extra cost in deep neural network (DNN) optimization. Despite achieving better flatness, existing WA methods might fall into worse final performances or require extra test-time computations. This work unveils the full potential of EMA with a single line of modification, i.e., switching the EMA parameters to the original model after each epoch, dubbed as Switch EMA (SEMA). From both theoretical and empirical aspects, we demonstrate that SEMA can help DNNs to reach generalization optima that better trade-off between flatness and sharpness. To verify the effectiveness of SEMA, we conduct comparison experiments with discriminative, generative, and regression tasks on vision and language datasets, including image classification, self-supervised learning, object detection and segmentation, image generation, video prediction, attribute regression, and language modeling. Comprehensive results with popular optimizers and networks show that SEMA is a free lunch for DNN training by improving performances and boosting convergence speeds.

In this work, we provide a characterization of the feature-learning process in two-layer ReLU networks trained by gradient descent on the logistic loss following random initialization. We consider data with binary labels that are generated by an XOR-like function of the input features. We permit a constant fraction of the training labels to be corrupted by an adversary. We show that, although linear classifiers are no better than random guessing for the distribution we consider, two-layer ReLU networks trained by gradient descent achieve generalization error close to the label noise rate. We develop a novel proof technique that shows that at initialization, the vast majority of neurons function as random features that are only weakly correlated with useful features, and the gradient descent dynamics 'amplify' these weak, random features to strong, useful features.

Foundation models are first pre-trained on vast unsupervised datasets and then fine-tuned on labeled data. Reinforcement learning, notably from human feedback (RLHF), can further align the network with the intended usage. Yet the imperfections in the proxy reward may hinder the training and lead to suboptimal results; the diversity of objectives in real-world tasks and human opinions exacerbate the issue. This paper proposes embracing the heterogeneity of diverse rewards by following a multi-policy strategy. Rather than focusing on a single a priori reward, we aim for Pareto-optimal generalization across the entire space of preferences. To this end, we propose rewarded soup, first specializing multiple networks independently (one for each proxy reward) and then interpolating their weights linearly. This succeeds empirically because we show that the weights remain linearly connected when fine-tuned on diverse rewards from a shared pre-trained initialization. We demonstrate the effectiveness of our approach for text-to-text (summarization, Q&A, helpful assistant, review), text-image (image captioning, text-to-image generation, visual grounding, VQA), and control (locomotion) tasks. We hope to enhance the alignment of deep models, and how they interact with the world in all its diversity.

Domain adversarial training has been ubiquitous for achieving invariant representations and is used widely for various domain adaptation tasks. In recent times, methods converging to smooth optima have shown improved generalization for supervised learning tasks like classification. In this work, we analyze the effect of smoothness enhancing formulations on domain adversarial training, the objective of which is a combination of task loss (eg. classification, regression, etc.) and adversarial terms. We find that converging to a smooth minima with respect to (w.r.t.) task loss stabilizes the adversarial training leading to better performance on target domain. In contrast to task loss, our analysis shows that converging to smooth minima w.r.t. adversarial loss leads to sub-optimal generalization on the target domain. Based on the analysis, we introduce the Smooth Domain Adversarial Training (SDAT) procedure, which effectively enhances the performance of existing domain adversarial methods for both classification and object detection tasks. Our analysis also provides insight into the extensive usage of SGD over Adam in the community for domain adversarial training.

Large language models (LLMs) are becoming increasingly capable, but the mechanisms of their thinking and decision-making process remain unclear. Chain-of-thoughts (CoTs) have been commonly utilized to monitor LLMs, but this strategy fails to accurately reflect LLMs' thinking process. Techniques based on LLMs' hidden representations provide an inner perspective to monitor their latent thinking. However, previous methods only try to develop external monitors instead of making LLMs themselves easier to monitor. In this paper, we propose a novel method TELLME, improving the transparency of LLMs and helping monitors identify unsuitable and sensitive behaviors. Furthermore, we showcase the applications of TELLME on trustworthiness tasks (\eg, safety risks monitoring tasks and detoxification tasks), where LLMs achieve consistent improvement in transparency and task performance. More crucially, we theoretically analyze the improvement of TELLME on LLMs' generalization ability through optimal transport theory.

Dataset distillation aims to minimize the time and memory needed for training deep networks on large datasets, by creating a small set of synthetic images that has a similar generalization performance to that of the full dataset. However, current dataset distillation techniques fall short, showing a notable performance gap when compared to training on the original data. In this work, we are the first to argue that using just one synthetic subset for distillation will not yield optimal generalization performance. This is because the training dynamics of deep networks drastically change during the training. Hence, multiple synthetic subsets are required to capture the training dynamics at different phases of training. To address this issue, we propose Progressive Dataset Distillation (PDD). PDD synthesizes multiple small sets of synthetic images, each conditioned on the previous sets, and trains the model on the cumulative union of these subsets without requiring additional training time. Our extensive experiments show that PDD can effectively improve the performance of existing dataset distillation methods by up to 4.3%. In addition, our method for the first time enable generating considerably larger synthetic datasets.

Sample selection is a prevalent method in learning with noisy labels, where small-loss data are typically considered as correctly labeled data. However, this method may not effectively identify clean hard examples with large losses, which are critical for achieving the model's close-to-optimal generalization performance. In this paper, we propose a new framework, Late Stopping, which leverages the intrinsic robust learning ability of DNNs through a prolonged training process. Specifically, Late Stopping gradually shrinks the noisy dataset by removing high-probability mislabeled examples while retaining the majority of clean hard examples in the training set throughout the learning process. We empirically observe that mislabeled and clean examples exhibit differences in the number of epochs required for them to be consistently and correctly classified, and thus high-probability mislabeled examples can be removed. Experimental results on benchmark-simulated and real-world noisy datasets demonstrate that the proposed method outperforms state-of-the-art counterparts.

Low-rank adaptation (LoRA) is a popular method for fine-tuning large-scale pre-trained models in downstream tasks by learning low-rank incremental matrices. Though LoRA and its variants effectively reduce the number of trainable parameters compared to full fine-tuning methods, they often overfit training data, resulting in sub-optimal generalization on test data. To address this problem, we introduce BiLoRA, an overfitting-alleviating fine-tuning approach based on bi-level optimization (BLO). BiLoRA employs pseudo singular value decomposition to parameterize low-rank incremental matrices and splits the training of pseudo singular vectors and values across two different subsets of training data. This division, embedded within separate levels of the BLO framework, mitigates the risk of overfitting to a single dataset. Tested on ten datasets covering natural language understanding and generation tasks and applied to various well-known large pre-trained models, BiLoRA significantly outperforms LoRA methods and other fine-tuning approaches, with similar amounts of trainable parameters.

Neural networks trained by gradient descent (GD) have exhibited a number of surprising generalization behaviors. First, they can achieve a perfect fit to noisy training data and still generalize near-optimally, showing that overfitting can sometimes be benign. Second, they can undergo a period of classical, harmful overfitting -- achieving a perfect fit to training data with near-random performance on test data -- before transitioning ("grokking") to near-optimal generalization later in training. In this work, we show that both of these phenomena provably occur in two-layer ReLU networks trained by GD on XOR cluster data where a constant fraction of the training labels are flipped. In this setting, we show that after the first step of GD, the network achieves 100% training accuracy, perfectly fitting the noisy labels in the training data, but achieves near-random test accuracy. At a later training step, the network achieves near-optimal test accuracy while still fitting the random labels in the training data, exhibiting a "grokking" phenomenon. This provides the first theoretical result of benign overfitting in neural network classification when the data distribution is not linearly separable. Our proofs rely on analyzing the feature learning process under GD, which reveals that the network implements a non-generalizable linear classifier after one step and gradually learns generalizable features in later steps.

We carry out an information-theoretical analysis of a two-layer neural network trained from input-output pairs generated by a teacher network with matching architecture, in overparametrized regimes. Our results come in the form of bounds relating i) the mutual information between training data and network weights, or ii) the Bayes-optimal generalization error, to the same quantities but for a simpler (generalized) linear model for which explicit expressions are rigorously known. Our bounds, which are expressed in terms of the number of training samples, input dimension and number of hidden units, thus yield fundamental performance limits for any neural network (and actually any learning procedure) trained from limited data generated according to our two-layer teacher neural network model. The proof relies on rigorous tools from spin glasses and is guided by ``Gaussian equivalence principles'' lying at the core of numerous recent analyses of neural networks. With respect to the existing literature, which is either non-rigorous or restricted to the case of the learning of the readout weights only, our results are information-theoretic (i.e. are not specific to any learning algorithm) and, importantly, cover a setting where all the network parameters are trained.

A major barrier to deploying current machine learning models lies in their non-reliability to dataset shifts. To resolve this problem, most existing studies attempted to transfer stable information to unseen environments. Particularly, independent causal mechanisms-based methods proposed to remove mutable causal mechanisms via the do-operator. Compared to previous methods, the obtained stable predictors are more effective in identifying stable information. However, a key question remains: which subset of this whole stable information should the model transfer, in order to achieve optimal generalization ability? To answer this question, we present a comprehensive minimax analysis from a causal perspective. Specifically, we first provide a graphical condition for the whole stable set to be optimal. When this condition fails, we surprisingly find with an example that this whole stable set, although can fully exploit stable information, is not the optimal one to transfer. To identify the optimal subset under this case, we propose to estimate the worst-case risk with a novel optimization scheme over the intervention functions on mutable causal mechanisms. We then propose an efficient algorithm to search for the subset with minimal worst-case risk, based on a newly defined equivalence relation between stable subsets. Compared to the exponential cost of exhaustively searching over all subsets, our searching strategy enjoys a polynomial complexity. The effectiveness and efficiency of our methods are demonstrated on synthetic data and the diagnosis of Alzheimer's disease.

State-of-the-art video action classifiers often suffer from overfitting. They tend to be biased towards specific objects and scene cues, rather than the foreground action content, leading to sub-optimal generalization performances. Recent data augmentation strategies have been reported to address the overfitting problems in static image classifiers. Despite the effectiveness on the static image classifiers, data augmentation has rarely been studied for videos. For the first time in the field, we systematically analyze the efficacy of various data augmentation strategies on the video classification task. We then propose a powerful augmentation strategy VideoMix. VideoMix creates a new training video by inserting a video cuboid into another video. The ground truth labels are mixed proportionally to the number of voxels from each video. We show that VideoMix lets a model learn beyond the object and scene biases and extract more robust cues for action recognition. VideoMix consistently outperforms other augmentation baselines on Kinetics and the challenging Something-Something-V2 benchmarks. It also improves the weakly-supervised action localization performance on THUMOS'14. VideoMix pretrained models exhibit improved accuracies on the video detection task (AVA).

State-of-the-art results on image recognition tasks are achieved using over-parameterized learning algorithms that (nearly) perfectly fit the training set and are known to fit well even random labels. This tendency to memorize the labels of the training data is not explained by existing theoretical analyses. Memorization of the training data also presents significant privacy risks when the training data contains sensitive personal information and thus it is important to understand whether such memorization is necessary for accurate learning. We provide the first conceptual explanation and a theoretical model for this phenomenon. Specifically, we demonstrate that for natural data distributions memorization of labels is necessary for achieving close-to-optimal generalization error. Crucially, even labels of outliers and noisy labels need to be memorized. The model is motivated and supported by the results of several recent empirical works. In our model, data is sampled from a mixture of subpopulations and our results show that memorization is necessary whenever the distribution of subpopulation frequencies is long-tailed. Image and text data is known to be long-tailed and therefore our results establish a formal link between these empirical phenomena. Our results allow to quantify the cost of limiting memorization in learning and explain the disparate effects that privacy and model compression have on different subgroups.

Deep neural networks are typically trained by optimizing a loss function with an SGD variant, in conjunction with a decaying learning rate, until convergence. We show that simple averaging of multiple points along the trajectory of SGD, with a cyclical or constant learning rate, leads to better generalization than conventional training. We also show that this Stochastic Weight Averaging (SWA) procedure finds much flatter solutions than SGD, and approximates the recent Fast Geometric Ensembling (FGE) approach with a single model. Using SWA we achieve notable improvement in test accuracy over conventional SGD training on a range of state-of-the-art residual networks, PyramidNets, DenseNets, and Shake-Shake networks on CIFAR-10, CIFAR-100, and ImageNet. In short, SWA is extremely easy to implement, improves generalization, and has almost no computational overhead.

Despite extensive studies, the underlying reason as to why overparameterized neural networks can generalize remains elusive. Existing theory shows that common stochastic optimizers prefer flatter minimizers of the training loss, and thus a natural potential explanation is that flatness implies generalization. This work critically examines this explanation. Through theoretical and empirical investigation, we identify the following three scenarios for two-layer ReLU networks: (1) flatness provably implies generalization; (2) there exist non-generalizing flattest models and sharpness minimization algorithms fail to generalize, and (3) perhaps most surprisingly, there exist non-generalizing flattest models, but sharpness minimization algorithms still generalize. Our results suggest that the relationship between sharpness and generalization subtly depends on the data distributions and the model architectures and sharpness minimization algorithms do not only minimize sharpness to achieve better generalization. This calls for the search for other explanations for the generalization of over-parameterized neural networks.

Optimization and generalization are two essential aspects of statistical machine learning. In this paper, we propose a framework to connect optimization with generalization by analyzing the generalization error based on the optimization trajectory under the gradient flow algorithm. The key ingredient of this framework is the Uniform-LGI, a property that is generally satisfied when training machine learning models. Leveraging the Uniform-LGI, we first derive convergence rates for gradient flow algorithm, then we give generalization bounds for a large class of machine learning models. We further apply our framework to three distinct machine learning models: linear regression, kernel regression, and two-layer neural networks. Through our approach, we obtain generalization estimates that match or extend previous results.

Learned optimizers (LOs) can significantly reduce the wall-clock training time of neural networks, substantially reducing training costs. However, they often suffer from poor meta-generalization, especially when training networks larger than those seen during meta-training. To address this, we use the recently proposed Maximal Update Parametrization (muP), which allows zero-shot generalization of optimizer hyperparameters from smaller to larger models. We extend muP theory to learned optimizers, treating the meta-training problem as finding the learned optimizer under muP. Our evaluation shows that LOs meta-trained with muP substantially improve meta-generalization as compared to LOs trained under standard parametrization (SP). Notably, when applied to large-width models, our best muLO, trained for 103 GPU-hours, matches or exceeds the performance of VeLO, the largest publicly available learned optimizer, meta-trained with 4000 TPU-months of compute. Moreover, muLOs demonstrate better generalization than their SP counterparts to deeper networks and to much longer training horizons (25 times longer) than those seen during meta-training.

Precision livestock farming (PLF) increasingly relies on advanced object localization techniques to monitor livestock health and optimize resource management. This study investigates the generalization capabilities of YOLOv8 and YOLOv9 models for cow detection in indoor free-stall barn settings, focusing on varying training data characteristics such as view angles and lighting, and model complexities. Leveraging the newly released public dataset, COws LOcalization (COLO) dataset, we explore three key hypotheses: (1) Model generalization is equally influenced by changes in lighting conditions and camera angles; (2) Higher model complexity guarantees better generalization performance; (3) Fine-tuning with custom initial weights trained on relevant tasks always brings advantages to detection tasks. Our findings reveal considerable challenges in detecting cows in images taken from side views and underscore the importance of including diverse camera angles in building a detection model. Furthermore, our results emphasize that higher model complexity does not necessarily lead to better performance. The optimal model configuration heavily depends on the specific task and dataset. Lastly, while fine-tuning with custom initial weights trained on relevant tasks offers advantages to detection tasks, simpler models do not benefit similarly from this approach. It is more efficient to train a simple model with pre-trained weights without relying on prior relevant information, which can require intensive labor efforts. Future work should focus on adaptive methods and advanced data augmentation to improve generalization and robustness. This study provides practical guidelines for PLF researchers on deploying computer vision models from existing studies, highlights generalization issues, and contributes the COLO dataset containing 1254 images and 11818 cow instances for further research.

We study principal-agent problems in which a principal commits to an outcome-dependent payment scheme -- called contract -- in order to induce an agent to take a costly, unobservable action leading to favorable outcomes. We consider a generalization of the classical (single-round) version of the problem in which the principal interacts with the agent by committing to contracts over multiple rounds. The principal has no information about the agent, and they have to learn an optimal contract by only observing the outcome realized at each round. We focus on settings in which the size of the agent's action space is small. We design an algorithm that learns an approximately-optimal contract with high probability in a number of rounds polynomial in the size of the outcome space, when the number of actions is constant. Our algorithm solves an open problem by Zhu et al.[2022]. Moreover, it can also be employed to provide a mathcal{O}(T^{4/5}) regret bound in the related online learning setting in which the principal aims at maximizing their cumulative utility, thus considerably improving previously-known regret bounds.

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

Quantization has become a popular technique to compress neural networks and reduce compute cost, but most prior work focuses on studying quantization without changing the network size. Many real-world applications of neural networks have compute cost and memory budgets, which can be traded off with model quality by changing the number of parameters. In this work, we use ResNet as a case study to systematically investigate the effects of quantization on inference compute cost-quality tradeoff curves. Our results suggest that for each bfloat16 ResNet model, there are quantized models with lower cost and higher accuracy; in other words, the bfloat16 compute cost-quality tradeoff curve is Pareto-dominated by the 4-bit and 8-bit curves, with models primarily quantized to 4-bit yielding the best Pareto curve. Furthermore, we achieve state-of-the-art results on ImageNet for 4-bit ResNet-50 with quantization-aware training, obtaining a top-1 eval accuracy of 77.09%. We demonstrate the regularizing effect of quantization by measuring the generalization gap. The quantization method we used is optimized for practicality: It requires little tuning and is designed with hardware capabilities in mind. Our work motivates further research into optimal numeric formats for quantization, as well as the development of machine learning accelerators supporting these formats. As part of this work, we contribute a quantization library written in JAX, which is open-sourced at https://github.com/google-research/google-research/tree/master/aqt.

Supervised learning datasets may contain multiple cues that explain the training set equally well, i.e., learning any of them would lead to the correct predictions on the training data. However, many of them can be spurious, i.e., lose their predictive power under a distribution shift and consequently fail to generalize to out-of-distribution (OOD) data. Recently developed "diversification" methods (Lee et al., 2023; Pagliardini et al., 2023) approach this problem by finding multiple diverse hypotheses that rely on different features. This paper aims to study this class of methods and identify the key components contributing to their OOD generalization abilities. We show that (1) diversification methods are highly sensitive to the distribution of the unlabeled data used for diversification and can underperform significantly when away from a method-specific sweet spot. (2) Diversification alone is insufficient for OOD generalization. The choice of the used learning algorithm, e.g., the model's architecture and pretraining, is crucial. In standard experiments (classification on Waterbirds and Office-Home datasets), using the second-best choice leads to an up to 20\% absolute drop in accuracy. (3) The optimal choice of learning algorithm depends on the unlabeled data and vice versa i.e. they are co-dependent. (4) Finally, we show that, in practice, the above pitfalls cannot be alleviated by increasing the number of diverse hypotheses, the major feature of diversification methods. These findings provide a clearer understanding of the critical design factors influencing the OOD generalization abilities of diversification methods. They can guide practitioners in how to use the existing methods best and guide researchers in developing new, better ones.

Kernel methods are widely used in machine learning, especially for classification problems. However, the theoretical analysis of kernel classification is still limited. This paper investigates the statistical performances of kernel classifiers. With some mild assumptions on the conditional probability eta(x)=P(Y=1mid X=x), we derive an upper bound on the classification excess risk of a kernel classifier using recent advances in the theory of kernel regression. We also obtain a minimax lower bound for Sobolev spaces, which shows the optimality of the proposed classifier. Our theoretical results can be extended to the generalization error of overparameterized neural network classifiers. To make our theoretical results more applicable in realistic settings, we also propose a simple method to estimate the interpolation smoothness of 2eta(x)-1 and apply the method to real datasets.

Reinforcement Learning from Human Feedback (RLHF) is an effective approach for aligning language models to human preferences. Central to RLHF is learning a reward function for scoring human preferences. Two main approaches for learning a reward model are 1) training an EXplicit Reward Model (EXRM) as in RLHF, and 2) using an implicit reward learned from preference data through methods such as Direct Preference Optimization (DPO). Prior work has shown that the implicit reward model of DPO (denoted as DPORM) can approximate an EXRM in the limit. DPORM's effectiveness directly implies the optimality of the learned policy, and also has practical implication for LLM alignment methods including iterative DPO. However, it is unclear how well DPORM empirically matches the performance of EXRM. This work studies the accuracy at distinguishing preferred and rejected answers for both DPORM and EXRM. Our findings indicate that even though DPORM fits the training dataset comparably, it generalizes less effectively than EXRM, especially when the validation datasets contain distribution shifts. Across five out-of-distribution settings, DPORM has a mean drop in accuracy of 3% and a maximum drop of 7%. These findings highlight that DPORM has limited generalization ability and substantiates the integration of an explicit reward model in iterative DPO approaches.

Contrastive learning is a highly successful technique for learning representations of data from labeled tuples, specifying the distance relations within the tuple. We study the sample complexity of contrastive learning, i.e. the minimum number of labeled tuples sufficient for getting high generalization accuracy. We give tight bounds on the sample complexity in a variety of settings, focusing on arbitrary distance functions, both general ell_p-distances, and tree metrics. Our main result is an (almost) optimal bound on the sample complexity of learning ell_p-distances for integer p. For any p ge 1 we show that tilde Theta(min(nd,n^2)) labeled tuples are necessary and sufficient for learning d-dimensional representations of n-point datasets. Our results hold for an arbitrary distribution of the input samples and are based on giving the corresponding bounds on the Vapnik-Chervonenkis/Natarajan dimension of the associated problems. We further show that the theoretical bounds on sample complexity obtained via VC/Natarajan dimension can have strong predictive power for experimental results, in contrast with the folklore belief about a substantial gap between the statistical learning theory and the practice of deep learning.

Autonomous agents powered by multimodal large language models have been developed to facilitate task execution on mobile devices. However, prior work has predominantly focused on atomic tasks -- such as shot-chain execution tasks and single-screen grounding tasks -- while overlooking the generalization to compositional tasks, which are indispensable for real-world applications. This work introduces UI-NEXUS, a comprehensive benchmark designed to evaluate mobile agents on three categories of compositional operations: Simple Concatenation, Context Transition, and Deep Dive. UI-NEXUS supports interactive evaluation in 20 fully controllable local utility app environments, as well as 30 online Chinese and English service apps. It comprises 100 interactive task templates with an average optimal step count of 14.05. Experimental results across a range of mobile agents with agentic workflow or agent-as-a-model show that UI-NEXUS presents significant challenges. Specifically, existing agents generally struggle to balance performance and efficiency, exhibiting representative failure modes such as under-execution, over-execution, and attention drift, causing visible atomic-to-compositional generalization gap. Inspired by these findings, we propose AGENT-NEXUS, a lightweight and efficient scheduling system to tackle compositional mobile tasks. AGENT-NEXUS extrapolates the abilities of existing mobile agents by dynamically decomposing long-horizon tasks to a series of self-contained atomic subtasks. AGENT-NEXUS achieves 24% to 40% task success rate improvement for existing mobile agents on compositional operation tasks within the UI-NEXUS benchmark without significantly sacrificing inference overhead. The demo video, dataset, and code are available on the project page at https://ui-nexus.github.io.

In the realm of computer vision and graphics, accurately establishing correspondences between geometric 3D shapes is pivotal for applications like object tracking, registration, texture transfer, and statistical shape analysis. Moving beyond traditional hand-crafted and data-driven feature learning methods, we incorporate spectral methods with deep learning, focusing on functional maps (FMs) and optimal transport (OT). Traditional OT-based approaches, often reliant on entropy regularization OT in learning-based framework, face computational challenges due to their quadratic cost. Our key contribution is to employ the sliced Wasserstein distance (SWD) for OT, which is a valid fast optimal transport metric in an unsupervised shape matching framework. This unsupervised framework integrates functional map regularizers with a novel OT-based loss derived from SWD, enhancing feature alignment between shapes treated as discrete probability measures. We also introduce an adaptive refinement process utilizing entropy regularized OT, further refining feature alignments for accurate point-to-point correspondences. Our method demonstrates superior performance in non-rigid shape matching, including near-isometric and non-isometric scenarios, and excels in downstream tasks like segmentation transfer. The empirical results on diverse datasets highlight our framework's effectiveness and generalization capabilities, setting new standards in non-rigid shape matching with efficient OT metrics and an adaptive refinement module.

Feature shaping refers to a family of methods that exhibit state-of-the-art performance for out-of-distribution (OOD) detection. These approaches manipulate the feature representation, typically from the penultimate layer of a pre-trained deep learning model, so as to better differentiate between in-distribution (ID) and OOD samples. However, existing feature-shaping methods usually employ rules manually designed for specific model architectures and OOD datasets, which consequently limit their generalization ability. To address this gap, we first formulate an abstract optimization framework for studying feature-shaping methods. We then propose a concrete reduction of the framework with a simple piecewise constant shaping function and show that existing feature-shaping methods approximate the optimal solution to the concrete optimization problem. Further, assuming that OOD data is inaccessible, we propose a formulation that yields a closed-form solution for the piecewise constant shaping function, utilizing solely the ID data. Through extensive experiments, we show that the feature-shaping function optimized by our method improves the generalization ability of OOD detection across a large variety of datasets and model architectures.

Vision-language models have revolutionized human-computer interaction and shown significant progress in multi-modal tasks. However, applying these models to complex visual tasks like medical image analysis remains challenging. In this study, we propose ViLaM, a unified Vision-Language transformer model that integrates instruction tuning predicated on a large language model. This approach enables us to optimally utilize the knowledge and reasoning capacities of large pre-trained language models for an array of tasks encompassing both language and vision. We employ frozen pre-trained encoders to encode and align both image and text features, enabling ViLaM to handle a variety of visual tasks following textual instructions. Besides, we've designed cycle training for referring expressions to address the need for high-quality, paired referring expression datasets for training large models in terms of both quantity and quality. We evaluated ViLaM's exceptional performance on public general datasets and further confirmed its generalizability on medical datasets. Importantly, we've observed the model's impressive zero-shot learning ability, indicating the potential future application of ViLaM in the medical field.

Deep neural networks (DNNs) trained for image denoising are able to generate high-quality samples with score-based reverse diffusion algorithms. These impressive capabilities seem to imply an escape from the curse of dimensionality, but recent reports of memorization of the training set raise the question of whether these networks are learning the "true" continuous density of the data. Here, we show that two DNNs trained on non-overlapping subsets of a dataset learn nearly the same score function, and thus the same density, when the number of training images is large enough. In this regime of strong generalization, diffusion-generated images are distinct from the training set, and are of high visual quality, suggesting that the inductive biases of the DNNs are well-aligned with the data density. We analyze the learned denoising functions and show that the inductive biases give rise to a shrinkage operation in a basis adapted to the underlying image. Examination of these bases reveals oscillating harmonic structures along contours and in homogeneous regions. We demonstrate that trained denoisers are inductively biased towards these geometry-adaptive harmonic bases since they arise not only when the network is trained on photographic images, but also when it is trained on image classes supported on low-dimensional manifolds for which the harmonic basis is suboptimal. Finally, we show that when trained on regular image classes for which the optimal basis is known to be geometry-adaptive and harmonic, the denoising performance of the networks is near-optimal.

Optimal transport (OT) theory focuses, among all maps T:R^drightarrow R^d that can morph a probability measure onto another, on those that are the ``thriftiest'', i.e. such that the averaged cost c(x, T(x)) between x and its image T(x) be as small as possible. Many computational approaches have been proposed to estimate such Monge maps when c is the ell_2^2 distance, e.g., using entropic maps [Pooladian'22], or neural networks [Makkuva'20, Korotin'20]. We propose a new model for transport maps, built on a family of translation invariant costs c(x, y):=h(x-y), where h:=1{2}|cdot|_2^2+tau and tau is a regularizer. We propose a generalization of the entropic map suitable for h, and highlight a surprising link tying it with the Bregman centroids of the divergence D_h generated by h, and the proximal operator of tau. We show that choosing a sparsity-inducing norm for tau results in maps that apply Occam's razor to transport, in the sense that the displacement vectors Delta(x):= T(x)-x they induce are sparse, with a sparsity pattern that varies depending on x. We showcase the ability of our method to estimate meaningful OT maps for high-dimensional single-cell transcription data, in the 34000-d space of gene counts for cells, without using dimensionality reduction, thus retaining the ability to interpret all displacements at the gene level.

In this paper, we study the predict-then-optimize problem where the output of a machine learning prediction task is used as the input of some downstream optimization problem, say, the objective coefficient vector of a linear program. The problem is also known as predictive analytics or contextual linear programming. The existing approaches largely suffer from either (i) optimization intractability (a non-convex objective function)/statistical inefficiency (a suboptimal generalization bound) or (ii) requiring strong condition(s) such as no constraint or loss calibration. We develop a new approach to the problem called maximum optimality margin which designs the machine learning loss function by the optimality condition of the downstream optimization. The max-margin formulation enjoys both computational efficiency and good theoretical properties for the learning procedure. More importantly, our new approach only needs the observations of the optimal solution in the training data rather than the objective function, which makes it a new and natural approach to the inverse linear programming problem under both contextual and context-free settings; we also analyze the proposed method under both offline and online settings, and demonstrate its performance using numerical experiments.

The blooming of social media and face recognition (FR) systems has increased people's concern about privacy and security. A new type of adversarial privacy cloak (class-universal) can be applied to all the images of regular users, to prevent malicious FR systems from acquiring their identity information. In this work, we discover the optimization dilemma in the existing methods -- the local optima problem in large-batch optimization and the gradient information elimination problem in small-batch optimization. To solve these problems, we propose Gradient Accumulation (GA) to aggregate multiple small-batch gradients into a one-step iterative gradient to enhance the gradient stability and reduce the usage of quantization operations. Experiments show that our proposed method achieves high performance on the Privacy-Commons dataset against black-box face recognition models.

Deep neural networks are vulnerable to universal adversarial perturbation (UAP), an instance-agnostic perturbation capable of fooling the target model for most samples. Compared to instance-specific adversarial examples, UAP is more challenging as it needs to generalize across various samples and models. In this paper, we examine the serious dilemma of UAP generation methods from a generalization perspective -- the gradient vanishing problem using small-batch stochastic gradient optimization and the local optima problem using large-batch optimization. To address these problems, we propose a simple and effective method called Stochastic Gradient Aggregation (SGA), which alleviates the gradient vanishing and escapes from poor local optima at the same time. Specifically, SGA employs the small-batch training to perform multiple iterations of inner pre-search. Then, all the inner gradients are aggregated as a one-step gradient estimation to enhance the gradient stability and reduce quantization errors. Extensive experiments on the standard ImageNet dataset demonstrate that our method significantly enhances the generalization ability of UAP and outperforms other state-of-the-art methods. The code is available at https://github.com/liuxuannan/Stochastic-Gradient-Aggregation.

Language models have demonstrated impressive capabilities across various natural language processing tasks, yet they struggle with planning tasks requiring multi-step simulations. Inspired by human cognitive processes, this paper investigates the optimal planning power of language models that can construct a cognitive map of a given environment. Our experiments demonstrate that cognitive map significantly enhances the performance of both optimal and reachable planning generation ability in the Gridworld path planning task. We observe that our method showcases two key characteristics similar to human cognition: generalization of its planning ability to extrapolated environments and rapid adaptation with limited training data. We hope our findings in the Gridworld task provide insights into modeling human cognitive processes in language models, potentially leading to the development of more advanced and robust systems that better resemble human cognition.

Empirical scaling laws have driven the evolution of large language models (LLMs), yet their coefficients shift whenever the model architecture or data pipeline changes. Mixture-of-Experts (MoE) models, now standard in state-of-the-art systems, introduce a new sparsity dimension that current dense-model frontiers overlook. We investigate how MoE sparsity influences two distinct capability regimes: memorization and reasoning. We train families of MoE Transformers that systematically vary total parameters, active parameters, and top-k routing while holding the compute budget fixed. For every model we record pre-training loss, downstream task loss, and task accuracy, allowing us to separate the train-test generalization gap from the loss-accuracy gap. Memorization benchmarks improve monotonically with total parameters, mirroring training loss. By contrast, reasoning performance saturates and can even regress despite continued gains in both total parameters and training loss. Altering top-k alone has little effect when active parameters are constant, and classic hyperparameters such as learning rate and initialization modulate the generalization gap in the same direction as sparsity. Neither post-training reinforcement learning (GRPO) nor extra test-time compute rescues the reasoning deficit of overly sparse models. Our model checkpoints, code and logs are open-source at https://github.com/rioyokotalab/optimal-sparsity.

Large language models (LLMs) have demonstrated remarkable zero-shot generalization abilities: state-of-the-art chatbots can provide plausible answers to many common questions that arise in daily life. However, so far, LLMs cannot reliably solve long-horizon planning problems. By contrast, classical planners, once a problem is given in a formatted way, can use efficient search algorithms to quickly identify correct, or even optimal, plans. In an effort to get the best of both worlds, this paper introduces LLM+P, the first framework that incorporates the strengths of classical planners into LLMs. LLM+P takes in a natural language description of a planning problem, then returns a correct (or optimal) plan for solving that problem in natural language. LLM+P does so by first converting the language description into a file written in the planning domain definition language (PDDL), then leveraging classical planners to quickly find a solution, and then translating the found solution back into natural language. Along with LLM+P, we define a diverse set of different benchmark problems taken from common planning scenarios. Via a comprehensive set of experiments on these benchmark problems, we find that LLM+P is able to provide optimal solutions for most problems, while LLMs fail to provide even feasible plans for most problems.\footnote{The code and results are publicly available at https://github.com/Cranial-XIX/llm-pddl.git.

Robust validation metrics remain essential in contemporary deep learning, not only to detect overfitting and poor generalization, but also to monitor training dynamics. In the supervised classification setting, we investigate whether interactions between training data and model weights can yield such a metric that both tracks generalization during training and attributes performance to individual training samples. We introduce Gradient-Weight Alignment (GWA), quantifying the coherence between per-sample gradients and model weights. We show that effective learning corresponds to coherent alignment, while misalignment indicates deteriorating generalization. GWA is efficiently computable during training and reflects both sample-specific contributions and dataset-wide learning dynamics. Extensive experiments show that GWA accurately predicts optimal early stopping, enables principled model comparisons, and identifies influential training samples, providing a validation-set-free approach for model analysis directly from the training data.

Phonemization, the conversion of text into phonemes, is a key step in text-to-speech. Traditional approaches use rule-based transformations and lexicon lookups, while more advanced methods apply preprocessing techniques or neural networks for improved accuracy on out-of-domain vocabulary. However, all systems struggle with names, loanwords, abbreviations, and homographs. This work presents OLaPh (Optimal Language Phonemizer), a framework that combines large lexica, multiple NLP techniques, and compound resolution with a probabilistic scoring function. Evaluations in German and English show improved accuracy over previous approaches, including on a challenging dataset. To further address unresolved cases, we train a large language model on OLaPh-generated data, which achieves even stronger generalization and performance. Together, the framework and LLM improve phonemization consistency and provide a freely available resource for future research.

Deep neural networks are susceptible to adversarial examples, posing a significant security risk in critical applications. Adversarial Training (AT) is a well-established technique to enhance adversarial robustness, but it often comes at the cost of decreased generalization ability. This paper proposes Robustness Critical Fine-Tuning (RiFT), a novel approach to enhance generalization without compromising adversarial robustness. The core idea of RiFT is to exploit the redundant capacity for robustness by fine-tuning the adversarially trained model on its non-robust-critical module. To do so, we introduce module robust criticality (MRC), a measure that evaluates the significance of a given module to model robustness under worst-case weight perturbations. Using this measure, we identify the module with the lowest MRC value as the non-robust-critical module and fine-tune its weights to obtain fine-tuned weights. Subsequently, we linearly interpolate between the adversarially trained weights and fine-tuned weights to derive the optimal fine-tuned model weights. We demonstrate the efficacy of RiFT on ResNet18, ResNet34, and WideResNet34-10 models trained on CIFAR10, CIFAR100, and Tiny-ImageNet datasets. Our experiments show that \method can significantly improve both generalization and out-of-distribution robustness by around 1.5% while maintaining or even slightly enhancing adversarial robustness. Code is available at https://github.com/microsoft/robustlearn.

Neural Architecture Search (NAS) aims to automatically excavate the optimal network architecture with superior test performance. Recent neural architecture search (NAS) approaches rely on validation loss or accuracy to find the superior network for the target data. In this paper, we investigate a new neural architecture search measure for excavating architectures with better generalization. We demonstrate that the flatness of the loss surface can be a promising proxy for predicting the generalization capability of neural network architectures. We evaluate our proposed method on various search spaces, showing similar or even better performance compared to the state-of-the-art NAS methods. Notably, the resultant architecture found by flatness measure generalizes robustly to various shifts in data distribution (e.g. ImageNet-V2,-A,-O), as well as various tasks such as object detection and semantic segmentation. Code is available at https://github.com/clovaai/GeNAS.

Energy-based models (EBMs) are known in the Machine Learning community for decades. Since the seminal works devoted to EBMs dating back to the noughties, there have been a lot of efficient methods which solve the generative modelling problem by means of energy potentials (unnormalized likelihood functions). In contrast, the realm of Optimal Transport (OT) and, in particular, neural OT solvers is much less explored and limited by few recent works (excluding WGAN-based approaches which utilize OT as a loss function and do not model OT maps themselves). In our work, we bridge the gap between EBMs and Entropy-regularized OT. We present a novel methodology which allows utilizing the recent developments and technical improvements of the former in order to enrich the latter. From the theoretical perspective, we prove generalization bounds for our technique. In practice, we validate its applicability in toy 2D and image domains. To showcase the scalability, we empower our method with a pre-trained StyleGAN and apply it to high-res AFHQ 512times 512 unpaired I2I translation. For simplicity, we choose simple short- and long-run EBMs as a backbone of our Energy-guided Entropic OT approach, leaving the application of more sophisticated EBMs for future research. Our code is available at: https://github.com/PetrMokrov/Energy-guided-Entropic-OT

In-context learning (ICL) is a type of prompting where a transformer model operates on a sequence of (input, output) examples and performs inference on-the-fly. In this work, we formalize in-context learning as an algorithm learning problem where a transformer model implicitly constructs a hypothesis function at inference-time. We first explore the statistical aspects of this abstraction through the lens of multitask learning: We obtain generalization bounds for ICL when the input prompt is (1) a sequence of i.i.d. (input, label) pairs or (2) a trajectory arising from a dynamical system. The crux of our analysis is relating the excess risk to the stability of the algorithm implemented by the transformer. We characterize when transformer/attention architecture provably obeys the stability condition and also provide empirical verification. For generalization on unseen tasks, we identify an inductive bias phenomenon in which the transfer learning risk is governed by the task complexity and the number of MTL tasks in a highly predictable manner. Finally, we provide numerical evaluations that (1) demonstrate transformers can indeed implement near-optimal algorithms on classical regression problems with i.i.d. and dynamic data, (2) provide insights on stability, and (3) verify our theoretical predictions.

While deep neural networks achieve great performance on fitting the training distribution, the learned networks are prone to overfitting and are susceptible to adversarial attacks. In this regard, a number of mixup based augmentation methods have been recently proposed. However, these approaches mainly focus on creating previously unseen virtual examples and can sometimes provide misleading supervisory signal to the network. To this end, we propose Puzzle Mix, a mixup method for explicitly utilizing the saliency information and the underlying statistics of the natural examples. This leads to an interesting optimization problem alternating between the multi-label objective for optimal mixing mask and saliency discounted optimal transport objective. Our experiments show Puzzle Mix achieves the state of the art generalization and the adversarial robustness results compared to other mixup methods on CIFAR-100, Tiny-ImageNet, and ImageNet datasets. The source code is available at https://github.com/snu-mllab/PuzzleMix.

Large Language Models (LLMs) are typically fine-tuned for reasoning tasks through a two-stage pipeline of Supervised Fine-Tuning (SFT) followed by Reinforcement Learning (RL), a process fraught with catastrophic forgetting and suboptimal trade-offs between imitation and exploration. Recent single-stage methods attempt to unify SFT and RL using heuristics, but lack a principled mechanism for dynamically balancing the two paradigms. In this paper, we reframe this challenge through the theoretical lens of implicit rewards, viewing SFT and RL not as distinct methods but as complementary reward signals. We introduce Adaptive Meta Fine-Tuning (AMFT), a novel single-stage algorithm that learns the optimal balance between SFT's implicit, path-level reward and RL's explicit, outcome-based reward. The core of AMFT is a meta-gradient adaptive weight controller that treats the SFT-RL balance as a learnable parameter, dynamically optimizing it to maximize long-term task performance. This forward-looking approach, regularized by policy entropy for stability, autonomously discovers an effective training curriculum. We conduct a comprehensive evaluation on challenging benchmarks spanning mathematical reasoning, abstract visual reasoning (General Points), and vision-language navigation (V-IRL). AMFT consistently establishes a new state-of-the-art and demonstrats superior generalization on out-of-distribution (OOD) tasks. Ablation studies and training dynamic analysis confirm that the meta-learning controller is crucial for AMFT's stability, sample efficiency, and performance, offering a more principled and effective paradigm for LLM alignment.Our codes are open-sourced via https://github.com/hlxtsyj/AMFT.

The deep neural networks are known to be vulnerable to well-designed adversarial attacks. The most successful defense technique based on adversarial training (AT) can achieve optimal robustness against particular attacks but cannot generalize well to unseen attacks. Another effective defense technique based on adversarial purification (AP) can enhance generalization but cannot achieve optimal robustness. Meanwhile, both methods share one common limitation on the degraded standard accuracy. To mitigate these issues, we propose a novel pipeline to acquire the robust purifier model, named Adversarial Training on Purification (AToP), which comprises two components: perturbation destruction by random transforms (RT) and purifier model fine-tuned (FT) by adversarial loss. RT is essential to avoid overlearning to known attacks, resulting in the robustness generalization to unseen attacks, and FT is essential for the improvement of robustness. To evaluate our method in an efficient and scalable way, we conduct extensive experiments on CIFAR-10, CIFAR-100, and ImageNette to demonstrate that our method achieves optimal robustness and exhibits generalization ability against unseen attacks.

Machine-learning-based parameterizations (i.e. representation of sub-grid processes) of global climate models or turbulent simulations have recently been proposed as a powerful alternative to physical, but empirical, representations, offering a lower computational cost and higher accuracy. Yet, those approaches still suffer from a lack of generalization and extrapolation beyond the training data, which is however critical to projecting climate change or unobserved regimes of turbulence. Here we show that a multi-fidelity approach, which integrates datasets of different accuracy and abundance, can provide the best of both worlds: the capacity to extrapolate leveraging the physically-based parameterization and a higher accuracy using the machine-learning-based parameterizations. In an application to climate modeling, the multi-fidelity framework yields more accurate climate projections without requiring major increase in computational resources. Our multi-fidelity randomized prior networks (MF-RPNs) combine physical parameterization data as low-fidelity and storm-resolving historical run's data as high-fidelity. To extrapolate beyond the training data, the MF-RPNs are tested on high-fidelity warming scenarios, +4K, data. We show the MF-RPN's capacity to return much more skillful predictions compared to either low- or high-fidelity (historical data) simulations trained only on one regime while providing trustworthy uncertainty quantification across a wide range of scenarios. Our approach paves the way for the use of machine-learning based methods that can optimally leverage historical observations or high-fidelity simulations and extrapolate to unseen regimes such as climate change.

While efficient distribution learning is no doubt behind the groundbreaking success of diffusion modeling, its theoretical guarantees are quite limited. In this paper, we provide the first rigorous analysis on approximation and generalization abilities of diffusion modeling for well-known function spaces. The highlight of this paper is that when the true density function belongs to the Besov space and the empirical score matching loss is properly minimized, the generated data distribution achieves the nearly minimax optimal estimation rates in the total variation distance and in the Wasserstein distance of order one. Furthermore, we extend our theory to demonstrate how diffusion models adapt to low-dimensional data distributions. We expect these results advance theoretical understandings of diffusion modeling and its ability to generate verisimilar outputs.

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.

Quantized neural networks typically require smaller memory footprints and lower computation complexity, which is crucial for efficient deployment. However, quantization inevitably leads to a distribution divergence from the original network, which generally degrades the performance. To tackle this issue, massive efforts have been made, but most existing approaches lack statistical considerations and depend on several manual configurations. In this paper, we present an adaptive-mapping quantization method to learn an optimal latent sub-distribution that is inherent within models and smoothly approximated with a concrete Gaussian Mixture (GM). In particular, the network weights are projected in compliance with the GM-approximated sub-distribution. This sub-distribution evolves along with the weight update in a co-tuning schema guided by the direct task-objective optimization. Sufficient experiments on image classification and object detection over various modern architectures demonstrate the effectiveness, generalization property, and transferability of the proposed method. Besides, an efficient deployment flow for the mobile CPU is developed, achieving up to 7.46times inference acceleration on an octa-core ARM CPU. Our codes have been publicly released at https://github.com/RunpeiDong/DGMS.

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.

Sparse Mixture-of-Experts (MoE) have been widely adopted in recent large language models since it can efficiently scale up the model capability without increasing the inference cost. However, evaluations on broad downstream tasks reveal a consistent suboptimality of the routers in existing MoE LLMs, which results in a severe performance gap (e.g., 10-20% in accuracy) to the optimal routing. In this paper, we show that aligning the manifold of routing weights with that of task embedding can effectively reduce the gap and improve MoE LLMs' generalization performance. Our method, "Routing Manifold Alignment (RoMA)", introduces an additional manifold regularization term in the post-training objective and only requires lightweight finetuning of routers (with other parameters frozen). Specifically, the regularization encourages the routing weights of each sample to be close to those of its successful neighbors (whose routing weights lead to correct answers) in a task embedding space. Consequently, samples targeting similar tasks will share similar expert choices across layers. Building such bindings between tasks and experts over different samples is essential to achieve better generalization. Moreover, RoMA demonstrates the advantage of unifying the task understanding (by embedding models) with solution generation (by MoE LLMs). In experiments, we finetune routers in OLMoE, DeepSeekMoE, and Qwen3-MoE using RoMA. Evaluations on diverse benchmarks and extensive comparisons with baselines show the substantial improvement brought by RoMA.

Mathematical reasoning is a central challenge for large language models (LLMs), requiring not only correct answers but also faithful reasoning processes. Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a promising approach for enhancing such capabilities; however, its ability to foster genuine reasoning remains unclear. We investigate RLVR on two combinatorial problems with fully verifiable solutions: Activity Scheduling and the Longest Increasing Subsequence, using carefully curated datasets with unique optima. Across multiple reward designs, we find that RLVR improves evaluation metrics but often by reinforcing superficial heuristics rather than acquiring new reasoning strategies. These findings highlight the limits of RLVR generalization, emphasizing the importance of benchmarks that disentangle genuine mathematical reasoning from shortcut exploitation and provide faithful measures of progress. Code available at https://github.com/xashru/rlvr-seq-generalization.

We prove theoretically that generalization improves not only through data scaling but also by compressing internal representations. To operationalize this insight, we introduce the Information Bottleneck Language Modeling (IBLM) objective, which reframes language modeling as a constrained optimization problem: minimizing representation entropy subject to optimal prediction performance. Empirically, we observe an emergent memorization-compression cycle during LLM pretraining, evidenced by oscillation positive/negative gradient alignment between cross-entropy and Matrix-Based Entropy (MBE), a measure of representation entropy. This pattern closely mirrors the predictive-compressive trade-off prescribed by IBLM and also parallels the biological alternation between awake learning and sleep consolidation. Motivated by this observation, we propose Gated Phase Transition (GAPT), a training algorithm that adaptively switches between memorization and compression phases. When applied to GPT-2 pretraining on FineWeb dataset, GAPT reduces MBE by 50% and improves cross-entropy by 4.8%. GAPT improves OOD generalizatino by 35% in a pretraining task on arithmetic multiplication. In a setting designed to simulate catastrophic forgetting, GAPT reduces interference by compressing and separating representations, achieving a 97% improvement in separation - paralleling the functional role of sleep consolidation.

Artificial intelligence (AI) systems, and Large Language Models (LLMs) in particular, are increasingly employed for creative tasks like scientific idea generation, constituting a form of generalization from training data unaddressed by existing conceptual frameworks. Despite its similarities to compositional generalization (CG), combinatorial creativity (CC) is an open-ended ability. Instead of evaluating for accuracy or correctness against fixed targets, which would contradict the open-ended nature of CC, we propose a theoretical framework and algorithmic task for evaluating outputs by their degrees of novelty and utility. From here, we make several important empirical contributions: (1) We obtain the first insights into the scaling behavior of creativity for LLMs. (2) We discover that, for fixed compute budgets, there exist optimal model depths and widths for creative ability. (3) We find that the ideation-execution gap, whereby LLMs excel at generating novel scientific ideas but struggle to ensure their practical feasibility, may be explained by a more fundamental novelty-utility tradeoff characteristic of creativity algorithms in general. Importantly, this tradeoff remains persistent even at scale, casting doubt on the long-term creative potential of LLMs in their current form. Together, our conceptual framework and empirical findings provide a foundation for understanding and improving creativity in modern AI models, bridging the gap between human and machine intelligence.

Although large language models (LLMs) have shown great potential in recommender systems, the prohibitive computational costs for fine-tuning LLMs on entire datasets hinder their successful deployment in real-world scenarios. To develop affordable and effective LLM-based recommender systems, we focus on the task of coreset selection which identifies a small subset of fine-tuning data to optimize the test loss, thereby facilitating efficient LLMs' fine-tuning. Although there exist some intuitive solutions of subset selection, including distribution-based and importance-based approaches, they often lead to suboptimal performance due to the misalignment with downstream fine-tuning objectives or weak generalization ability caused by individual-level sample selection. To overcome these challenges, we propose GORACS, which is a novel Group-level Optimal tRAnsport-guided Coreset Selection framework for LLM-based recommender systems. GORACS is designed based on two key principles for coreset selection: 1) selecting the subsets that minimize the test loss to align with fine-tuning objectives, and 2) enhancing model generalization through group-level data selection. Corresponding to these two principles, GORACS has two key components: 1) a Proxy Optimization Objective (POO) leveraging optimal transport and gradient information to bound the intractable test loss, thus reducing computational costs by avoiding repeated LLM retraining, and 2) a two-stage Initialization-Then-Refinement Algorithm (ITRA) for efficient group-level selection. Our extensive experiments across diverse recommendation datasets and tasks validate that GORACS significantly reduces fine-tuning costs of LLMs while achieving superior performance over the state-of-the-art baselines and full data training. The source code of GORACS are available at https://github.com/Mithas-114/GORACS.

Regression Mean (RegMean), an approach that formulates model merging as a linear regression problem, aims to find the optimal weights for each linear layer in the merge model by minimizing the discrepancy in predictions between the merge and candidate models. RegMean provides a precise closed-form solution for the merging problem; therefore, it offers explainability and computational efficiency. However, RegMean merges each linear layer independently, overlooking how the features and information in the earlier layers propagate through the layers and influence the final prediction in the merge model. In this paper, we introduce RegMean++, a simple yet effective alternative to RegMean, that explicitly incorporates both intra- and cross-layer dependencies between merge models' layers into RegMean's objective. By accounting for these dependencies, RegMean++ better captures the behaviors of the merge model. Extensive experiments demonstrate that RegMean++ consistently outperforms RegMean across diverse settings, including in-domain (ID) and out-of-domain (OOD) generalization, sequential merging, large-scale tasks, and robustness under several types of distribution shifts. Furthermore, RegMean++ achieves competitive or state-of-the-art performance compared to various recent advanced model merging methods. Our code is available at https://github.com/nthehai01/RegMean-plusplus.

Large ground-truth datasets and recent advances in deep learning techniques have been useful for layout detection. However, because of the restricted layout diversity of these datasets, training on them requires a sizable number of annotated instances, which is both expensive and time-consuming. As a result, differences between the source and target domains may significantly impact how well these models function. To solve this problem, domain adaptation approaches have been developed that use a small quantity of labeled data to adjust the model to the target domain. In this research, we introduced a synthetic document dataset called RanLayNet, enriched with automatically assigned labels denoting spatial positions, ranges, and types of layout elements. The primary aim of this endeavor is to develop a versatile dataset capable of training models with robustness and adaptability to diverse document formats. Through empirical experimentation, we demonstrate that a deep layout identification model trained on our dataset exhibits enhanced performance compared to a model trained solely on actual documents. Moreover, we conduct a comparative analysis by fine-tuning inference models using both PubLayNet and IIIT-AR-13K datasets on the Doclaynet dataset. Our findings emphasize that models enriched with our dataset are optimal for tasks such as achieving 0.398 and 0.588 mAP95 score in the scientific document domain for the TABLE class.

Optimal Transport is a useful metric to compare probability distributions and to compute a pairing given a ground cost. Its entropic regularization variant (eOT) is crucial to have fast algorithms and reflect fuzzy/noisy matchings. This work focuses on Inverse Optimal Transport (iOT), the problem of inferring the ground cost from samples drawn from a coupling that solves an eOT problem. It is a relevant problem that can be used to infer unobserved/missing links, and to obtain meaningful information about the structure of the ground cost yielding the pairing. On one side, iOT benefits from convexity, but on the other side, being ill-posed, it requires regularization to handle the sampling noise. This work presents an in-depth theoretical study of the l1 regularization to model for instance Euclidean costs with sparse interactions between features. Specifically, we derive a sufficient condition for the robust recovery of the sparsity of the ground cost that can be seen as a far reaching generalization of the Lasso's celebrated Irrepresentability Condition. To provide additional insight into this condition, we work out in detail the Gaussian case. We show that as the entropic penalty varies, the iOT problem interpolates between a graphical Lasso and a classical Lasso, thereby establishing a connection between iOT and graph estimation, an important problem in ML.

Instruction tuning has been attracting much attention to achieve generalization ability across a wide variety of tasks. Although various types of instructions have been manually created for instruction tuning, it is still unclear what kind of instruction is optimal to obtain cross-task generalization ability. This work presents instruction optimization, which optimizes training instructions with respect to generalization ability. Rather than manually tuning instructions, we introduce learnable instructions and optimize them with gradient descent by leveraging bilevel optimization. Experimental results show that the learned instruction enhances the diversity of instructions and improves the generalization ability compared to using only manually created instructions.

Recent studies have explored integrating Large Language Models (LLMs) with search engines to leverage both the LLMs' internal pre-trained knowledge and external information. Specially, reinforcement learning (RL) has emerged as a promising paradigm for enhancing LLM reasoning through multi-turn interactions with search engines. However, existing RL-based search agents rely on a single LLM to handle both search planning and question-answering (QA) tasks in an end-to-end manner, which limits their ability to optimize both capabilities simultaneously. In practice, sophisticated AI search systems often employ a large, frozen LLM (e.g., GPT-4, DeepSeek-R1) to ensure high-quality QA. Thus, a more effective and efficient approach is to utilize a small, trainable LLM dedicated to search planning. In this paper, we propose AI-SearchPlanner, a novel reinforcement learning framework designed to enhance the performance of frozen QA models by focusing on search planning. Specifically, our approach introduces three key innovations: 1) Decoupling the Architecture of the Search Planner and Generator, 2) Dual-Reward Alignment for Search Planning, and 3) Pareto Optimization of Planning Utility and Cost, to achieve the objectives. Extensive experiments on real-world datasets demonstrate that AI SearchPlanner outperforms existing RL-based search agents in both effectiveness and efficiency, while exhibiting strong generalization capabilities across diverse frozen QA models and data domains.

Large pre-trained vision language models (VLMs) have shown impressive zero-shot ability on downstream tasks with manually designed prompt, which are not optimal for specific domains. To further adapt VLMs to downstream tasks, soft prompt is proposed to replace manually designed prompt, which acts as a learning vector that undergoes fine-tuning based on specific domain data. Prior prompt learning methods primarily learn a fixed prompt and residuled prompt from training samples. However, the learned prompts lack diversity and ignore information about unseen domains, potentially compromising the transferability of the prompts. In this paper, we reframe the prompt learning framework from a generative perspective and propose a simple yet efficient method for the Domain Generalization (DG) task, namely Soft Prompt Generation (SPG). To the best of our knowledge, we are the first to introduce the generative model into prompt learning in VLMs and explore its potential for producing soft prompts by relying solely on the generative model, ensuring the diversity of prompts. Specifically, SPG consists of a two-stage training phase and an inference phase. During the training phase, we introduce soft prompt labels for each domain, aiming to incorporate the generative model domain knowledge. During the inference phase, the generator of the generative model is employed to obtain instance-specific soft prompts for the unseen target domain. Extensive experiments on five domain generalization benchmarks of three DG tasks demonstrate that our proposed SPG achieves state-of-the-art performance. The code will be available soon.

We present a new accelerated stochastic second-order method that is robust to both gradient and Hessian inexactness, which occurs typically in machine learning. We establish theoretical lower bounds and prove that our algorithm achieves optimal convergence in both gradient and Hessian inexactness in this key setting. We further introduce a tensor generalization for stochastic higher-order derivatives. When the oracles are non-stochastic, the proposed tensor algorithm matches the global convergence of Nesterov Accelerated Tensor method. Both algorithms allow for approximate solutions of their auxiliary subproblems with verifiable conditions on the accuracy of the solution.

Glaucoma is the number one cause of irreversible blindness globally. A major challenge for accurate glaucoma detection and progression forecasting is the bottleneck of limited labeled patients with the state-of-the-art (SOTA) 3D retinal imaging data of optical coherence tomography (OCT). To address the data scarcity issue, this paper proposes two solutions. First, we develop a novel generalization-reinforced semi-supervised learning (SSL) model called pseudo supervisor to optimally utilize unlabeled data. Compared with SOTA models, the proposed pseudo supervisor optimizes the policy of predicting pseudo labels with unlabeled samples to improve empirical generalization. Our pseudo supervisor model is evaluated with two clinical tasks consisting of glaucoma detection and progression forecasting. The progression forecasting task is evaluated both unimodally and multimodally. Our pseudo supervisor model demonstrates superior performance than SOTA SSL comparison models. Moreover, our model also achieves the best results on the publicly available LAG fundus dataset. Second, we introduce the Harvard Glaucoma Detection and Progression (Harvard-GDP) Dataset, a multimodal multitask dataset that includes data from 1,000 patients with OCT imaging data, as well as labels for glaucoma detection and progression. This is the largest glaucoma detection dataset with 3D OCT imaging data and the first glaucoma progression forecasting dataset that is publicly available. Detailed sex and racial analysis are provided, which can be used by interested researchers for fairness learning studies. Our released dataset is benchmarked with several SOTA supervised CNN and transformer deep learning models. The dataset and code are made publicly available via https://ophai.hms.harvard.edu/datasets/harvard-gdp1000.

Generalization in Reinforcement Learning (RL) aims to learn an agent during training that generalizes to the target environment. This paper studies RL generalization from a theoretical aspect: how much can we expect pre-training over training environments to be helpful? When the interaction with the target environment is not allowed, we certify that the best we can obtain is a near-optimal policy in an average sense, and we design an algorithm that achieves this goal. Furthermore, when the agent is allowed to interact with the target environment, we give a surprising result showing that asymptotically, the improvement from pre-training is at most a constant factor. On the other hand, in the non-asymptotic regime, we design an efficient algorithm and prove a distribution-based regret bound in the target environment that is independent of the state-action space.

Adversarial examples cause neural networks to produce incorrect outputs with high confidence. Although adversarial training is one of the most effective forms of defense against adversarial examples, unfortunately, a large gap exists between test accuracy and training accuracy in adversarial training. In this paper, we identify Adversarial Feature Overfitting (AFO), which may cause poor adversarially robust generalization, and we show that adversarial training can overshoot the optimal point in terms of robust generalization, leading to AFO in our simple Gaussian model. Considering these theoretical results, we present soft labeling as a solution to the AFO problem. Furthermore, we propose Adversarial Vertex mixup (AVmixup), a soft-labeled data augmentation approach for improving adversarially robust generalization. We complement our theoretical analysis with experiments on CIFAR10, CIFAR100, SVHN, and Tiny ImageNet, and show that AVmixup significantly improves the robust generalization performance and that it reduces the trade-off between standard accuracy and adversarial robustness.

Although humans inherently have diverse values, current large language model (LLM) alignment methods often assume that aligning LLMs with the general public's preferences is optimal. A major challenge in adopting a more individualized approach to LLM alignment is its lack of scalability, as it involves repeatedly acquiring preference data and training new reward models and LLMs for each individual's preferences. To address these challenges, we propose a new paradigm where users specify what they value most within the system message, steering the LLM's generation behavior to better align with the user's intentions. However, a naive application of such an approach is non-trivial since LLMs are typically trained on a uniform system message (e.g., "You are a helpful assistant") which limits their ability to generalize to diverse, unseen system messages. To improve this generalization, we create the Multifaceted Collection, a preference dataset with 192k combinations of values beyond generic helpfulness and harmlessness, spanning 65k user instructions. Using this dataset, we train a 7B LLM called Janus and test it on 921 prompts from 5 benchmarks (AlpacaEval 2.0, FLASK, Koala, MT-Bench, and Self-Instruct) by adding various unseen system messages that reflect user preferences. Janus achieves tie+win rate of 75.2%, 72.4%, and 66.4% against Mistral 7B Instruct v0.2, GPT-3.5 Turbo, and GPT-4, respectively. Unexpectedly, on three benchmarks focused on response helpfulness (AlpacaEval 2.0, MT-Bench, Arena Hard Auto v0.1), Janus also outperforms LLaMA 3 8B Instruct by a +4.0%, +0.1%, +3.0% margin, underscoring that training with a vast array of system messages could also enhance alignment to the general public's preference as well. Our code, dataset, benchmark, and models are available at https://github.com/kaistAI/Janus.

Recent advancements in Large Language Models (LLMs) have showcased their ability to perform complex reasoning tasks, but their effectiveness in planning remains underexplored. In this study, we evaluate the planning capabilities of OpenAI's o1 models across a variety of benchmark tasks, focusing on three key aspects: feasibility, optimality, and generalizability. Through empirical evaluations on constraint-heavy tasks (e.g., Barman, Tyreworld) and spatially complex environments (e.g., Termes, Floortile), we highlight o1-preview's strengths in self-evaluation and constraint-following, while also identifying bottlenecks in decision-making and memory management, particularly in tasks requiring robust spatial reasoning. Our results reveal that o1-preview outperforms GPT-4 in adhering to task constraints and managing state transitions in structured environments. However, the model often generates suboptimal solutions with redundant actions and struggles to generalize effectively in spatially complex tasks. This pilot study provides foundational insights into the planning limitations of LLMs, offering key directions for future research on improving memory management, decision-making, and generalization in LLM-based planning. Code available at https://github.com/VITA-Group/o1-planning.

This paper formalizes an emerging learning paradigm that uses a trained model as a reference to guide and enhance the training of a target model through strategic data selection or weighting, named model steering. While ad-hoc methods have been used in various contexts, including the training of large foundation models, its underlying principles remain insufficiently understood, leading to sub-optimal performance. In this work, we propose a theory-driven framework for model steering called DRRho risk minimization, which is rooted in Distributionally Robust Optimization (DRO). Through a generalization analysis, we provide theoretical insights into why this approach improves generalization and data efficiency compared to training without a reference model. To the best of our knowledge, this is the first time such theoretical insights are provided for the new learning paradigm, which significantly enhance our understanding and practice of model steering. Building on these insights and the connection between contrastive learning and DRO, we introduce a novel method for Contrastive Language-Image Pretraining (CLIP) with a reference model, termed DRRho-CLIP. Extensive experiments validate the theoretical insights, reveal a superior scaling law compared to CLIP without a reference model, and demonstrate its strength over existing heuristic approaches.

While language models have demonstrated impressive capabilities across a range of tasks, they still struggle with tasks that require complex planning and reasoning. Recent studies have proposed training language models on search processes rather than optimal solutions, resulting in better generalization performance even though search processes are noisy and even suboptimal. However, these studies overlook the value of optimal solutions, which can serve as step-by-step landmarks to guide more effective search. In this work, we explore how to leverage optimal solutions to enhance the search and planning abilities of language models. To this end, we propose guided stream of search (GSoS), which seamlessly incorporates optimal solutions into the self-generation process in a progressive manner, producing high-quality search trajectories. These trajectories are then distilled into the pre-trained model via supervised fine-tuning. Our approach significantly enhances the search and planning abilities of language models on Countdown, a simple yet challenging mathematical reasoning task. Notably, combining our method with RL fine-tuning yields further improvements, whereas previous supervised fine-tuning methods do not benefit from RL. Furthermore, our approach exhibits greater effectiveness than leveraging optimal solutions in the form of subgoal rewards.

Dynamical generative models that produce samples through an iterative process, such as Flow Matching and denoising diffusion models, have seen widespread use, but there have not been many theoretically-sound methods for improving these models with reward fine-tuning. In this work, we cast reward fine-tuning as stochastic optimal control (SOC). Critically, we prove that a very specific memoryless noise schedule must be enforced during fine-tuning, in order to account for the dependency between the noise variable and the generated samples. We also propose a new algorithm named Adjoint Matching which outperforms existing SOC algorithms, by casting SOC problems as a regression problem. We find that our approach significantly improves over existing methods for reward fine-tuning, achieving better consistency, realism, and generalization to unseen human preference reward models, while retaining sample diversity.

Federated learning is an emerging distributed machine learning framework which jointly trains a global model via a large number of local devices with data privacy protections. Its performance suffers from the non-vanishing biases introduced by the local inconsistent optimal and the rugged client-drifts by the local over-fitting. In this paper, we propose a novel and practical method, FedSpeed, to alleviate the negative impacts posed by these problems. Concretely, FedSpeed applies the prox-correction term on the current local updates to efficiently reduce the biases introduced by the prox-term, a necessary regularizer to maintain the strong local consistency. Furthermore, FedSpeed merges the vanilla stochastic gradient with a perturbation computed from an extra gradient ascent step in the neighborhood, thereby alleviating the issue of local over-fitting. Our theoretical analysis indicates that the convergence rate is related to both the communication rounds T and local intervals K with a upper bound small O(1/T) if setting a proper local interval. Moreover, we conduct extensive experiments on the real-world dataset to demonstrate the efficiency of our proposed FedSpeed, which performs significantly faster and achieves the state-of-the-art (SOTA) performance on the general FL experimental settings than several baselines. Our code is available at https://github.com/woodenchild95/FL-Simulator.git.

Fine-tuning large pretrained language models on a limited training corpus usually suffers from poor generalization. Prior works show that the recently-proposed sharpness-aware minimization (SAM) optimization method can improve the model generalization. However, SAM adds a perturbation to each model parameter equally (but not all parameters contribute equally to the optimization of training), which we argue is sub-optimal and will lead to excessive computation. In this paper, we propose a novel optimization procedure, namely FSAM, which introduces a Fisher mask to improve the efficiency and performance of SAM. In short, instead of adding perturbation to all parameters, FSAM uses the Fisher information to identity the important parameters and formulates a Fisher mask to obtain the sparse perturbation, i.e., making the optimizer focus on these important parameters. Experiments on various tasks in GLUE and SuperGLUE benchmarks show that FSAM consistently outperforms the vanilla SAM by 0.67~1.98 average score among four different pretrained models. We also empirically show that FSAM works well in other complex scenarios, e.g., fine-tuning on generation tasks or limited training data. Encouragingly, when training data is limited, FSAM improves the SAM by a large margin, i.e., up to 15.1.

Current state of the art methods in Domain Adaptation follow adversarial approaches, making training a challenge. Existing non-adversarial methods learn mappings between the source and target domains, to achieve reasonable performance. However, even these methods do not focus on a key aspect: maintaining performance on the source domain, even after optimizing over the target domain. Additionally, there exist very few methods in low resource supervised domain adaptation. This work proposes a method, LRS-DAG, that aims to solve these current issues in the field. By adding a set of "encoder layers" which map the target domain to the source, and can be removed when dealing directly with the source data, the model learns to perform optimally on both domains. LRS-DAG showcases its uniqueness by being a new algorithm for low resource domain adaptation which maintains performance over the source domain, with a new metric for learning mappings between domains being introduced. We show that, in the case of FCNs, when transferring from MNIST to SVHN, LRS-DAG performs comparably to fine tuning, with the advantage of maintaining performance over the source domain. LRS-DAG outperforms fine tuning when transferring to a synthetic dataset similar to MNIST, which is a setting more representative of low resource supervised domain adaptation.

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.

Recently, flat minima are proven to be effective for improving generalization and sharpness-aware minimization (SAM) achieves state-of-the-art performance. Yet the current definition of flatness discussed in SAM and its follow-ups are limited to the zeroth-order flatness (i.e., the worst-case loss within a perturbation radius). We show that the zeroth-order flatness can be insufficient to discriminate minima with low generalization error from those with high generalization error both when there is a single minimum or multiple minima within the given perturbation radius. Thus we present first-order flatness, a stronger measure of flatness focusing on the maximal gradient norm within a perturbation radius which bounds both the maximal eigenvalue of Hessian at local minima and the regularization function of SAM. We also present a novel training procedure named Gradient norm Aware Minimization (GAM) to seek minima with uniformly small curvature across all directions. Experimental results show that GAM improves the generalization of models trained with current optimizers such as SGD and AdamW on various datasets and networks. Furthermore, we show that GAM can help SAM find flatter minima and achieve better generalization.

In this paper we propose to study generalization of neural networks on small algorithmically generated datasets. In this setting, questions about data efficiency, memorization, generalization, and speed of learning can be studied in great detail. In some situations we show that neural networks learn through a process of "grokking" a pattern in the data, improving generalization performance from random chance level to perfect generalization, and that this improvement in generalization can happen well past the point of overfitting. We also study generalization as a function of dataset size and find that smaller datasets require increasing amounts of optimization for generalization. We argue that these datasets provide a fertile ground for studying a poorly understood aspect of deep learning: generalization of overparametrized neural networks beyond memorization of the finite training dataset.

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.

A key challenge of modern machine learning systems is to achieve Out-of-Distribution (OOD) generalization -- generalizing to target data whose distribution differs from that of source data. Despite its significant importance, the fundamental question of ``what are the most effective algorithms for OOD generalization'' remains open even under the standard setting of covariate shift. This paper addresses this fundamental question by proving that, surprisingly, classical Maximum Likelihood Estimation (MLE) purely using source data (without any modification) achieves the minimax optimality for covariate shift under the well-specified setting. That is, no algorithm performs better than MLE in this setting (up to a constant factor), justifying MLE is all you need. Our result holds for a very rich class of parametric models, and does not require any boundedness condition on the density ratio. We illustrate the wide applicability of our framework by instantiating it to three concrete examples -- linear regression, logistic regression, and phase retrieval. This paper further complement the study by proving that, under the misspecified setting, MLE is no longer the optimal choice, whereas Maximum Weighted Likelihood Estimator (MWLE) emerges as minimax optimal in certain scenarios.

This paper investigates the generalization of Principal Component Analysis (PCA) to Riemannian manifolds. We first propose a new and general type of family of subspaces in manifolds that we call barycentric subspaces. They are implicitly defined as the locus of points which are weighted means of k+1 reference points. As this definition relies on points and not on tangent vectors, it can also be extended to geodesic spaces which are not Riemannian. For instance, in stratified spaces, it naturally allows principal subspaces that span several strata, which is impossible in previous generalizations of PCA. We show that barycentric subspaces locally define a submanifold of dimension k which generalizes geodesic subspaces.Second, we rephrase PCA in Euclidean spaces as an optimization on flags of linear subspaces (a hierarchy of properly embedded linear subspaces of increasing dimension). We show that the Euclidean PCA minimizes the Accumulated Unexplained Variances by all the subspaces of the flag (AUV). Barycentric subspaces are naturally nested, allowing the construction of hierarchically nested subspaces. Optimizing the AUV criterion to optimally approximate data points with flags of affine spans in Riemannian manifolds lead to a particularly appealing generalization of PCA on manifolds called Barycentric Subspaces Analysis (BSA).

We study the Levine hat problem, a classic combinatorial puzzle introduced by Lionel Levine in 2010. This problem involves a game in which n geq 2 players, each seeing an infinite stack of hats on each of their teammates' heads but not on their own, must simultaneously guess the index of a black hat on their own stack. If one of the players fails to do so, the team loses collectively. The players must therefore come up with a good strategy before the game starts. While the optimal winning probability V_{n} remains unknown even for n=2, we make three key advances. First, we develop a novel geometric framework for representing strategies through measurable functions, providing a new expression of V_{n} and a unified treatment of the game for finite and for infinite stacks via integral formulations. Secondly, we construct a new strategy K_{5} that reaches the conjectured optimal probability of victory : 0.35. We also show that K_{5} is part of a larger class of strategies that allow us to improve current bounds and resolve conjectured inequalities. Finally, we introduce and entirely solve a continuous generalization of the problem, demonstrating that extending to uncountable hat stacks increases the optimal winning probability to exactly 1/2. This generalization naturally leads to a broader and smoother strategic framework, within which we also describe how to compute optimal responses to a range of strategies.

Investigation of the degree of personalization in federated learning algorithms has shown that only maximizing the performance of the global model will confine the capacity of the local models to personalize. In this paper, we advocate an adaptive personalized federated learning (APFL) algorithm, where each client will train their local models while contributing to the global model. We derive the generalization bound of mixture of local and global models, and find the optimal mixing parameter. We also propose a communication-efficient optimization method to collaboratively learn the personalized models and analyze its convergence in both smooth strongly convex and nonconvex settings. The extensive experiments demonstrate the effectiveness of our personalization schema, as well as the correctness of established generalization theories.

Recent thinking models solve complex reasoning tasks by scaling test-time compute, but this scaling must be allocated in line with task difficulty. On one hand, short reasoning (underthinking) leads to errors on harder problems that require extended reasoning steps; but, excessively long reasoning (overthinking) can be token-inefficient, generating unnecessary steps even after reaching a correct intermediate solution. We refer to this as under-adaptivity, where the model fails to modulate its response length appropriately given problems of varying difficulty. To address under-adaptivity and strike a balance between under- and overthinking, we propose TRAAC (Think Right with Adaptive, Attentive Compression), an online post-training RL method that leverages the model's self-attention over a long reasoning trajectory to identify important steps and prune redundant ones. TRAAC also estimates difficulty and incorporates it into training rewards, thereby learning to allocate reasoning budget commensurate with example difficulty. Our approach improves accuracy, reduces reasoning steps, and enables adaptive thinking compared to base models and other RL baselines. Across a variety of tasks (AIME, AMC, GPQA-D, BBEH), TRAAC (Qwen3-4B) achieves an average absolute accuracy gain of 8.4% with a relative reduction in reasoning length of 36.8% compared to the base model, and a 7.9% accuracy gain paired with a 29.4% length drop compared to the best RL baseline. TRAAC also shows strong generalization: although our models are trained on math datasets, they show accuracy and efficiency gains on out-of-distribution non-math datasets like GPQA-D, BBEH, and OptimalThinkingBench. Our analysis further verifies that TRAAC provides fine-grained adjustments to thinking budget based on difficulty and that a combination of task-difficulty calibration and attention-based compression yields gains across diverse tasks.

Learning the response of single-cells to various treatments offers great potential to enable targeted therapies. In this context, neural optimal transport (OT) has emerged as a principled methodological framework because it inherently accommodates the challenges of unpaired data induced by cell destruction during data acquisition. However, most existing OT approaches are incapable of conditioning on different treatment contexts (e.g., time, drug treatment, drug dosage, or cell type) and we still lack methods that unanimously show promising generalization performance to unseen treatments. Here, we propose the Conditional Monge Gap which learns OT maps conditionally on arbitrary covariates. We demonstrate its value in predicting single-cell perturbation responses conditional to one or multiple drugs, a drug dosage, or combinations thereof. We find that our conditional models achieve results comparable and sometimes even superior to the condition-specific state-of-the-art on scRNA-seq as well as multiplexed protein imaging data. Notably, by aggregating data across conditions we perform cross-task learning which unlocks remarkable generalization abilities to unseen drugs or drug dosages, widely outperforming other conditional models in capturing heterogeneity (i.e., higher moments) in the perturbed population. Finally, by scaling to hundreds of conditions and testing on unseen drugs, we narrow the gap between structure-based and effect-based drug representations, suggesting a promising path to the successful prediction of perturbation effects for unseen treatments.

Multimodal Large Language Models (MLLMs) have made significant advancements in recent years, with visual features playing an increasingly critical role in enhancing model performance. However, the integration of multi-layer visual features in MLLMs remains underexplored, particularly with regard to optimal layer selection and fusion strategies. Existing methods often rely on arbitrary design choices, leading to suboptimal outcomes. In this paper, we systematically investigate two core aspects of multi-layer visual feature fusion: (1) selecting the most effective visual layers and (2) identifying the best fusion approach with the language model. Our experiments reveal that while combining visual features from multiple stages improves generalization, incorporating additional features from the same stage typically leads to diminished performance. Furthermore, we find that direct fusion of multi-layer visual features at the input stage consistently yields superior and more stable performance across various configurations. We make all our code publicly available: https://github.com/EIT-NLP/Layer_Select_Fuse_for_MLLM.

Pre-Training (PT) of text representations has been successfully applied to low-resource Neural Machine Translation (NMT). However, it usually fails to achieve notable gains (sometimes, even worse) on resource-rich NMT on par with its Random-Initialization (RI) counterpart. We take the first step to investigate the complementarity between PT and RI in resource-rich scenarios via two probing analyses, and find that: 1) PT improves NOT the accuracy, but the generalization by achieving flatter loss landscapes than that of RI; 2) PT improves NOT the confidence of lexical choice, but the negative diversity by assigning smoother lexical probability distributions than that of RI. Based on these insights, we propose to combine their complementarities with a model fusion algorithm that utilizes optimal transport to align neurons between PT and RI. Experiments on two resource-rich translation benchmarks, WMT'17 English-Chinese (20M) and WMT'19 English-German (36M), show that PT and RI could be nicely complementary to each other, achieving substantial improvements considering both translation accuracy, generalization, and negative diversity. Probing tools and code are released at: https://github.com/zanchangtong/PTvsRI.

Modern large language models excel in knowledge-intensive tasks, yet how transformers acquire (store) knowledge during pre-training and extract (retrieve) it during post-fine-tuning inference remains theoretically opaque. While prior theoretical work has begun to investigate these questions through the analysis of training dynamics, such studies are limited to single-layer, attention-only architectures. However, most existing studies suggest that MLPs are the most contributing components for storing knowledge in transformer-based language models. Meanwhile, our empirical investigations reveal that such simplified models, when trained using standard next-token prediction objectives, may be incapable of acquiring or extracting factual knowledge. To overcome this limitation, we introduce a tractable one-layer transformer framework that crucially incorporates both self-attention and MLP modules. By tracking its gradient dynamics, we establish convergence and generalization guarantees that illuminate the ability of knowledge acquisition and extraction. We prove that 1) Transformers can achieve near-optimal training loss during pre-training, signifying effective knowledge acquisition; 2) With a large fine-tuning dataset and specific data multiplicity conditions met, transformers can achieve low generalization error when tested on factual knowledge learned during pre-training but not reinforced during the fine-tuning, indicating successful knowledge extraction; 3) When the conditions are not satisfied, transformers exhibit high generalization loss, resulting in hallucinations. Our analysis includes both full fine-tuning and low-rank fine-tuning. Furthermore, our analysis offers theoretical insights into several pertinent empirical phenomena, such as the role of learning rate schedules. Experiments on synthetic and real-world PopQA datasets with GPT-2 and Llama-3.2-1B validate our results.

Leveraging the effective visual-text alignment and static generalizability from CLIP, recent video learners adopt CLIP initialization with further regularization or recombination for generalization in open-vocabulary action recognition in-context. However, due to the static bias of CLIP, such video learners tend to overfit on shortcut static features, thereby compromising their generalizability, especially to novel out-of-context actions. To address this issue, we introduce Open-MeDe, a novel Meta-optimization framework with static Debiasing for Open-vocabulary action recognition. From a fresh perspective of generalization, Open-MeDe adopts a meta-learning approach to improve known-to-open generalizing and image-to-video debiasing in a cost-effective manner. Specifically, Open-MeDe introduces a cross-batch meta-optimization scheme that explicitly encourages video learners to quickly generalize to arbitrary subsequent data via virtual evaluation, steering a smoother optimization landscape. In effect, the free of CLIP regularization during optimization implicitly mitigates the inherent static bias of the video meta-learner. We further apply self-ensemble over the optimization trajectory to obtain generic optimal parameters that can achieve robust generalization to both in-context and out-of-context novel data. Extensive evaluations show that Open-MeDe not only surpasses state-of-the-art regularization methods tailored for in-context open-vocabulary action recognition but also substantially excels in out-of-context scenarios.Code is released at https://github.com/Mia-YatingYu/Open-MeDe.

It is well-known that inverse dynamics models can improve tracking performance in robot control. These models need to precisely capture the robot dynamics, which consist of well-understood components, e.g., rigid body dynamics, and effects that remain challenging to capture, e.g., stick-slip friction and mechanical flexibilities. Such effects exhibit hysteresis and partial observability, rendering them, particularly challenging to model. Hence, hybrid models, which combine a physical prior with data-driven approaches are especially well-suited in this setting. We present a novel hybrid model formulation that enables us to identify fully physically consistent inertial parameters of a rigid body dynamics model which is paired with a recurrent neural network architecture, allowing us to capture unmodeled partially observable effects using the network memory. We compare our approach against state-of-the-art inverse dynamics models on a 7 degree of freedom manipulator. Using data sets obtained through an optimal experiment design approach, we study the accuracy of offline torque prediction and generalization capabilities of joint learning methods. In control experiments on the real system, we evaluate the model as a feed-forward term for impedance control and show the feedback gains can be drastically reduced to achieve a given tracking accuracy.

Neural Machine Translation (NMT) systems face significant challenges when working with low-resource languages, particularly in domain adaptation tasks. These difficulties arise due to limited training data and suboptimal model generalization, As a result, selecting an optimal model for translation is crucial for achieving strong performance on in-domain data, particularly in scenarios where fine-tuning is not feasible or practical. In this paper, we investigate strategies for selecting the most suitable NMT model for a given domain using bandit-based algorithms, including Upper Confidence Bound, Linear UCB, Neural Linear Bandit, and Thompson Sampling. Our method effectively addresses the resource constraints by facilitating optimal model selection with high confidence. We evaluate the approach across three African languages and domains, demonstrating its robustness and effectiveness in both scenarios where target data is available and where it is absent.

L_2 regularization and weight decay regularization are equivalent for standard stochastic gradient descent (when rescaled by the learning rate), but as we demonstrate this is not the case for adaptive gradient algorithms, such as Adam. While common implementations of these algorithms employ L_2 regularization (often calling it "weight decay" in what may be misleading due to the inequivalence we expose), we propose a simple modification to recover the original formulation of weight decay regularization by decoupling the weight decay from the optimization steps taken w.r.t. the loss function. We provide empirical evidence that our proposed modification (i) decouples the optimal choice of weight decay factor from the setting of the learning rate for both standard SGD and Adam and (ii) substantially improves Adam's generalization performance, allowing it to compete with SGD with momentum on image classification datasets (on which it was previously typically outperformed by the latter). Our proposed decoupled weight decay has already been adopted by many researchers, and the community has implemented it in TensorFlow and PyTorch; the complete source code for our experiments is available at https://github.com/loshchil/AdamW-and-SGDW

Compact dual-encoder models are widely used for retrieval owing to their efficiency and scalability. However, such models often underperform compared to their Large Language Model (LLM)-based retrieval counterparts, likely due to their limited world knowledge. While LLM-based data augmentation has been proposed as a strategy to bridge this performance gap, there is insufficient understanding of its effectiveness and scalability to real-world retrieval problems. Existing research does not systematically explore key factors such as the optimal augmentation scale, the necessity of using large augmentation models, and whether diverse augmentations improve generalization, particularly in out-of-distribution (OOD) settings. This work presents a comprehensive study of the effectiveness of LLM augmentation for retrieval, comprising over 100 distinct experimental settings of retrieval models, augmentation models and augmentation strategies. We find that, while augmentation enhances retrieval performance, its benefits diminish beyond a certain augmentation scale, even with diverse augmentation strategies. Surprisingly, we observe that augmentation with smaller LLMs can achieve performance competitive with larger augmentation models. Moreover, we examine how augmentation effectiveness varies with retrieval model pre-training, revealing that augmentation provides the most benefit to models which are not well pre-trained. Our insights pave the way for more judicious and efficient augmentation strategies, thus enabling informed decisions and maximizing retrieval performance while being more cost-effective. Code and augmented datasets accompanying this work are publicly available at https://aka.ms/DAGR.

Foundation Models (FMs) serve as a general class for the development of artificial intelligence systems, offering broad potential for generalization across a spectrum of downstream tasks. Despite extensive research into self-supervised learning as the cornerstone of FMs, several outstanding issues persist in Graph Foundation Models that rely on graph self-supervised learning, namely: 1) Homogenization. The extent of generalization capability on downstream tasks remains unclear. 2) Scalability. It is unknown how effectively these models can scale to large datasets. 3) Efficiency. The training time and memory usage of these models require evaluation. 4) Training Stop Criteria. Determining the optimal stopping strategy for pre-training across multiple tasks to maximize performance on downstream tasks. To address these questions, we have constructed a rigorous benchmark that thoroughly analyzes and studies the generalization and scalability of self-supervised Graph Neural Network (GNN) models. Regarding generalization, we have implemented and compared the performance of various self-supervised GNN models, trained to generate node representations, across tasks such as node classification, link prediction, and node clustering. For scalability, we have compared the performance of various models after training using full-batch and mini-batch strategies. Additionally, we have assessed the training efficiency of these models by conducting experiments to test their GPU memory usage and throughput. Through these experiments, we aim to provide insights to motivate future research. The code for this benchmark is publicly available at https://github.com/NYUSHCS/GraphFM.

A common architectural choice for deep metric learning is a convolutional neural network followed by global average pooling (GAP). Albeit simple, GAP is a highly effective way to aggregate information. One possible explanation for the effectiveness of GAP is considering each feature vector as representing a different semantic entity and GAP as a convex combination of them. Following this perspective, we generalize GAP and propose a learnable generalized sum pooling method (GSP). GSP improves GAP with two distinct abilities: i) the ability to choose a subset of semantic entities, effectively learning to ignore nuisance information, and ii) learning the weights corresponding to the importance of each entity. Formally, we propose an entropy-smoothed optimal transport problem and show that it is a strict generalization of GAP, i.e., a specific realization of the problem gives back GAP. We show that this optimization problem enjoys analytical gradients enabling us to use it as a direct learnable replacement for GAP. We further propose a zero-shot loss to ease the learning of GSP. We show the effectiveness of our method with extensive evaluations on 4 popular metric learning benchmarks. Code is available at: GSP-DML Framework

Momentum is known to accelerate the convergence of gradient descent in strongly convex settings without stochastic gradient noise. In stochastic optimization, such as training neural networks, folklore suggests that momentum may help deep learning optimization by reducing the variance of the stochastic gradient update, but previous theoretical analyses do not find momentum to offer any provable acceleration. Theoretical results in this paper clarify the role of momentum in stochastic settings where the learning rate is small and gradient noise is the dominant source of instability, suggesting that SGD with and without momentum behave similarly in the short and long time horizons. Experiments show that momentum indeed has limited benefits for both optimization and generalization in practical training regimes where the optimal learning rate is not very large, including small- to medium-batch training from scratch on ImageNet and fine-tuning language models on downstream tasks.

This paper focuses on over-parameterized deep neural networks (DNNs) with ReLU activation functions and proves that when the data distribution is well-separated, DNNs can achieve Bayes-optimal test error for classification while obtaining (nearly) zero-training error under the lazy training regime. For this purpose, we unify three interrelated concepts of overparameterization, benign overfitting, and the Lipschitz constant of DNNs. Our results indicate that interpolating with smoother functions leads to better generalization. Furthermore, we investigate the special case where interpolating smooth ground-truth functions is performed by DNNs under the Neural Tangent Kernel (NTK) regime for generalization. Our result demonstrates that the generalization error converges to a constant order that only depends on label noise and initialization noise, which theoretically verifies benign overfitting. Our analysis provides a tight lower bound on the normalized margin under non-smooth activation functions, as well as the minimum eigenvalue of NTK under high-dimensional settings, which has its own interest in learning theory.

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

Current vision-language generative models rely on expansive corpora of paired image-text data to attain optimal performance and generalization capabilities. However, automatically collecting such data (e.g. via large-scale web scraping) leads to low quality and poor image-text correlation, while human annotation is more accurate but requires significant manual effort and expense. We introduce ITIT (InTegrating Image Text): an innovative training paradigm grounded in the concept of cycle consistency which allows vision-language training on unpaired image and text data. ITIT is comprised of a joint image-text encoder with disjoint image and text decoders that enable bidirectional image-to-text and text-to-image generation in a single framework. During training, ITIT leverages a small set of paired image-text data to ensure its output matches the input reasonably well in both directions. Simultaneously, the model is also trained on much larger datasets containing only images or texts. This is achieved by enforcing cycle consistency between the original unpaired samples and the cycle-generated counterparts. For instance, it generates a caption for a given input image and then uses the caption to create an output image, and enforces similarity between the input and output images. Our experiments show that ITIT with unpaired datasets exhibits similar scaling behavior as using high-quality paired data. We demonstrate image generation and captioning performance on par with state-of-the-art text-to-image and image-to-text models with orders of magnitude fewer (only 3M) paired image-text data.

Despite significant advances in vision-language models (VLMs), most existing work follows an English-centric design process, limiting their effectiveness in multilingual settings. In this work, we provide a comprehensive empirical study analyzing the impact of several multilingual design choices, such as training data composition, encoder selection, and text backbones. The result is TowerVision, a family of open multilingual VLMs for both image-text and video-text tasks, built upon the multilingual text-only model Tower+. TowerVision achieves competitive performance on multiple multimodal multilingual benchmarks and shows particular strength in culturally grounded tasks and multimodal translation. By incorporating visual and cultural context during fine-tuning, our models surpass existing approaches trained on substantially larger datasets, as demonstrated on ALM-Bench and Multi30K (image tasks) and ViMUL-Bench (video tasks). Alongside the models, we release VisionBlocks, a high-quality, curated vision-language dataset. Our findings highlight that multilingual vision-language training data substantially improves cross-lingual generalization -- both from high-resource to underrepresented languages and vice versa -- and that instruction-tuned LLMs are not always the optimal initialization point. To support further research, we publicly release all models, data, and training recipes.

Recent advances in natural language processing highlight two key factors for improving reasoning in large language models (LLMs): (i) allocating more test-time compute tends to help on harder problems but often introduces redundancy in the reasoning trace, and (ii) compute is most effective when reasoning is systematic and incremental, forming structured chains of thought (CoTs) akin to human problem-solving. To study these factors in isolation, we introduce a controlled setting based on shortest-path tasks in layered graphs. We train decoder-only transformers on question-trace-answer triples using a custom tokenizer, comparing models trained on optimal bottom-up dynamic programming traces with those trained on longer, valid traces involving backtracking. Surprisingly, with the same training-token budget, models trained on inefficient traces generalize better to unseen graphs. This benefit is not due to length alone-injecting arbitrary redundancy into reasoning traces fails to help and can even hurt performance. Instead, we find that generalization correlates with the model's confidence in next-token prediction, suggesting that long, coherent, and locally incremental traces make the training signal easier to optimize.

Developing AI agents that can robustly adapt to dramatically different strategic landscapes without retraining is a central challenge for multi-agent learning. Pok\'emon Video Game Championships (VGC) is a domain with an extraordinarily large space of possible team configurations of approximately 10^{139} - far larger than those of Dota or Starcraft. The highly discrete, combinatorial nature of team building in Pok\'emon VGC causes optimal strategies to shift dramatically depending on both the team being piloted and the opponent's team, making generalization uniquely challenging. To advance research on this problem, we introduce VGC-Bench: a benchmark that provides critical infrastructure, standardizes evaluation protocols, and supplies human-play datasets and a range of baselines - from large-language-model agents and behavior cloning to reinforcement learning and empirical game-theoretic methods such as self-play, fictitious play, and double oracle. In the restricted setting where an agent is trained and evaluated on a single-team configuration, our methods are able to win against a professional VGC competitor. We extensively evaluated all baseline methods over progressively larger team sets and find that even the best-performing algorithm in the single-team setting struggles at scaling up as team size grows. Thus, policy generalization across diverse team strategies remains an open challenge for the community. Our code is open sourced at https://github.com/cameronangliss/VGC-Bench.

Understanding and manipulating deformable objects (e.g., ropes and fabrics) is an essential yet challenging task with broad applications. Difficulties come from complex states and dynamics, diverse configurations and high-dimensional action space of deformable objects. Besides, the manipulation tasks usually require multiple steps to accomplish, and greedy policies may easily lead to local optimal states. Existing studies usually tackle this problem using reinforcement learning or imitating expert demonstrations, with limitations in modeling complex states or requiring hand-crafted expert policies. In this paper, we study deformable object manipulation using dense visual affordance, with generalization towards diverse states, and propose a novel kind of foresightful dense affordance, which avoids local optima by estimating states' values for long-term manipulation. We propose a framework for learning this representation, with novel designs such as multi-stage stable learning and efficient self-supervised data collection without experts. Experiments demonstrate the superiority of our proposed foresightful dense affordance. Project page: https://hyperplane-lab.github.io/DeformableAffordance

Scaling laws research has focused overwhelmingly on English -- yet the most prominent AI models explicitly serve billions of international users. In this work, we undertake the largest multilingual scaling laws study to date, totaling 774 multilingual training experiments, spanning 10M-8B model parameters, 400+ training languages and 48 evaluation languages. We introduce the Adaptive Transfer Scaling Law (ATLAS) for both monolingual and multilingual pretraining, which outperforms existing scaling laws' out-of-sample generalization often by more than 0.3 R^2. Our analyses of the experiments shed light on multilingual learning dynamics, transfer properties between languages, and the curse of multilinguality. First, we derive a cross-lingual transfer matrix, empirically measuring mutual benefit scores between 38 x 38=1444 language pairs. Second, we derive a language-agnostic scaling law that reveals how to optimally scale model size and data when adding languages without sacrificing performance. Third, we identify the computational crossover points for when to pretrain from scratch versus finetune from multilingual checkpoints. We hope these findings provide the scientific foundation for democratizing scaling laws across languages, and enable practitioners to efficiently scale models -- beyond English-first AI.

As we scale to more massive machine learning models, the frequent synchronization demands inherent in data-parallel approaches create significant slowdowns, posing a critical challenge to further scaling. Recent work develops an approach (DiLoCo) that relaxes synchronization demands without compromising model quality. However, these works do not carefully analyze how DiLoCo's behavior changes with model size. In this work, we study the scaling law behavior of DiLoCo when training LLMs under a fixed compute budget. We focus on how algorithmic factors, including number of model replicas, hyperparameters, and token budget affect training in ways that can be accurately predicted via scaling laws. We find that DiLoCo scales both predictably and robustly with model size. When well-tuned, DiLoCo scales better than data-parallel training with model size, and can outperform data-parallel training even at small model sizes. Our results showcase a more general set of benefits of DiLoCo than previously documented, including increased optimal batch sizes, improved downstream generalization with scale, and improved evaluation loss for a fixed token budget.

Hateful memes have become a significant concern on the Internet, necessitating robust automated detection systems. While LMMs have shown promise in hateful meme detection, they face notable challenges like sub-optimal performance and limited out-of-domain generalization capabilities. Recent studies further reveal the limitations of both SFT and in-context learning when applied to LMMs in this setting. To address these issues, we propose a robust adaptation framework for hateful meme detection that enhances in-domain accuracy and cross-domain generalization while preserving the general vision-language capabilities of LMMs. Experiments on six meme classification datasets show that our approach achieves state-of-the-art performance, outperforming larger agentic systems. Moreover, our method generates higher-quality rationales for explaining hateful content compared to standard SFT, enhancing model interpretability.

Pre-trained language models (PLM), for example BERT or RoBERTa, mark the state-of-the-art for natural language understanding task when fine-tuned on labeled data. However, their large size poses challenges in deploying them for inference in real-world applications, due to significant GPU memory requirements and high inference latency. This paper explores neural architecture search (NAS) for structural pruning to find sub-parts of the fine-tuned network that optimally trade-off efficiency, for example in terms of model size or latency, and generalization performance. We also show how we can utilize more recently developed two-stage weight-sharing NAS approaches in this setting to accelerate the search process. Unlike traditional pruning methods with fixed thresholds, we propose to adopt a multi-objective approach that identifies the Pareto optimal set of sub-networks, allowing for a more flexible and automated compression process.

We consider the problem of linear estimation, and establish an extension of the Gauss-Markov theorem, in which the bias operator is allowed to be non-zero but bounded with respect to a matrix norm of Schatten type. We derive simple and explicit formulas for the optimal estimator in the cases of Nuclear and Spectral norms (with the Frobenius case recovering ridge regression). Additionally, we analytically derive the generalization error in multiple random matrix ensembles, and compare with Ridge regression. Finally, we conduct an extensive simulation study, in which we show that the cross-validated Nuclear and Spectral regressors can outperform Ridge in several circumstances.

In the artificial neuron, I replace the dot product with the weighted Lehmer mean, which may emulate different cases of a generalized mean. The single neuron instance is replaced by a multiplet of neurons which have the same averaging weights. A group of outputs feed forward, in lieu of the single scalar. The generalization parameter is typically set to a different value for each neuron in the multiplet. I further extend the concept to a multiplet taken from the Gini mean. Derivatives with respect to the weight parameters and with respect to the two generalization parameters are given. Some properties of the network are investigated, showing the capacity to emulate the classical exclusive-or problem organically in two layers and perform some multiplication and division. The network can instantiate truncated power series and variants, which can be used to approximate different functions, provided that parameters are constrained. Moreover, a mean case slope score is derived that can facilitate a learning-rate novelty based on homogeneity of the selected elements. The multiplet neuron equation provides a way to segment regularization timeframes and approaches.

Reinforcement Learning with Verifiable Rewards (RLVR) has recently emerged as a powerful paradigm for post-training large language models (LLMs), achieving state-of-the-art performance on tasks with structured, verifiable answers. Applying RLVR to Multimodal LLMs (MLLMs) presents significant opportunities but is complicated by the broader, heterogeneous nature of vision-language tasks that demand nuanced visual, logical, and spatial capabilities. As such, training MLLMs using RLVR on multiple datasets could be beneficial but creates challenges with conflicting objectives from interaction among diverse datasets, highlighting the need for optimal dataset mixture strategies to improve generalization and reasoning. We introduce a systematic post-training framework for Multimodal LLM RLVR, featuring a rigorous data mixture problem formulation and benchmark implementation. Specifically, (1) We developed a multimodal RLVR framework for multi-dataset post-training by curating a dataset that contains different verifiable vision-language problems and enabling multi-domain online RL learning with different verifiable rewards; (2) We proposed a data mixture strategy that learns to predict the RL fine-tuning outcome from the data mixture distribution, and consequently optimizes the best mixture. Comprehensive experiments showcase that multi-domain RLVR training, when combined with mixture prediction strategies, can significantly boost MLLM general reasoning capacities. Our best mixture improves the post-trained model's accuracy on out-of-distribution benchmarks by an average of 5.24% compared to the same model post-trained with uniform data mixture, and by a total of 20.74% compared to the pre-finetuning baseline.

Recent advances have shown success in eliciting strong reasoning abilities in multimodal large language models (MLLMs) through rule-based reinforcement learning (RL) with outcome rewards. However, this paradigm typically lacks supervision over the thinking process leading to the final outcome.As a result, the model may learn sub-optimal reasoning strategies, which can hinder its generalization ability. In light of this, we propose SophiaVL-R1, as an attempt to add reward signals for the thinking process in this paradigm. To achieve this, we first train a thinking reward model that evaluates the quality of the entire thinking process. Given that the thinking reward may be unreliable for certain samples due to reward hacking, we propose the Trust-GRPO method, which assigns a trustworthiness weight to the thinking reward during training. This weight is computed based on the thinking reward comparison of responses leading to correct answers versus incorrect answers, helping to mitigate the impact of potentially unreliable thinking rewards. Moreover, we design an annealing training strategy that gradually reduces the thinking reward over time, allowing the model to rely more on the accurate rule-based outcome reward in later training stages. Experiments show that our SophiaVL-R1 surpasses a series of reasoning MLLMs on various benchmarks (e.g., MathVisita, MMMU), demonstrating strong reasoning and generalization capabilities. Notably, our SophiaVL-R1-7B even outperforms LLaVA-OneVision-72B on most benchmarks, despite the latter having 10 times more parameters. All code, models, and datasets are made publicly available at https://github.com/kxfan2002/SophiaVL-R1.

Existing denoising generative models rely on solving discretized reverse-time SDEs or ODEs. In this paper, we identify a long-overlooked yet pervasive issue in this family of models: a misalignment between the pre-defined noise level and the actual noise level encoded in intermediate states during sampling. We refer to this misalignment as noise shift. Through empirical analysis, we demonstrate that noise shift is widespread in modern diffusion models and exhibits a systematic bias, leading to sub-optimal generation due to both out-of-distribution generalization and inaccurate denoising updates. To address this problem, we propose Noise Awareness Guidance (NAG), a simple yet effective correction method that explicitly steers sampling trajectories to remain consistent with the pre-defined noise schedule. We further introduce a classifier-free variant of NAG, which jointly trains a noise-conditional and a noise-unconditional model via noise-condition dropout, thereby eliminating the need for external classifiers. Extensive experiments, including ImageNet generation and various supervised fine-tuning tasks, show that NAG consistently mitigates noise shift and substantially improves the generation quality of mainstream diffusion models.

LLMs have immense potential for generating plans, transforming an initial world state into a desired goal state. A large body of research has explored the use of LLMs for various planning tasks, from web navigation to travel planning and database querying. However, many of these systems are tailored to specific problems, making it challenging to compare them or determine the best approach for new tasks. There is also a lack of clear and consistent evaluation criteria. Our survey aims to offer a comprehensive overview of current LLM planners to fill this gap. It builds on foundational work by Kartam and Wilkins (1990) and examines six key performance criteria: completeness, executability, optimality, representation, generalization, and efficiency. For each, we provide a thorough analysis of representative works and highlight their strengths and weaknesses. Our paper also identifies crucial future directions, making it a valuable resource for both practitioners and newcomers interested in leveraging LLM planning to support agentic workflows.

Robustness against adversarial attacks and distribution shifts is a long-standing goal of Reinforcement Learning (RL). To this end, Robust Adversarial Reinforcement Learning (RARL) trains a protagonist against destabilizing forces exercised by an adversary in a competitive zero-sum Markov game, whose optimal solution, i.e., rational strategy, corresponds to a Nash equilibrium. However, finding Nash equilibria requires facing complex saddle point optimization problems, which can be prohibitive to solve, especially for high-dimensional control. In this paper, we propose a novel approach for adversarial RL based on entropy regularization to ease the complexity of the saddle point optimization problem. We show that the solution of this entropy-regularized problem corresponds to a Quantal Response Equilibrium (QRE), a generalization of Nash equilibria that accounts for bounded rationality, i.e., agents sometimes play random actions instead of optimal ones. Crucially, the connection between the entropy-regularized objective and QRE enables free modulation of the rationality of the agents by simply tuning the temperature coefficient. We leverage this insight to propose our novel algorithm, Quantal Adversarial RL (QARL), which gradually increases the rationality of the adversary in a curriculum fashion until it is fully rational, easing the complexity of the optimization problem while retaining robustness. We provide extensive evidence of QARL outperforming RARL and recent baselines across several MuJoCo locomotion and navigation problems in overall performance and robustness.

Recent research in offline reinforcement learning (RL) has demonstrated that return-conditioned supervised learning is a powerful paradigm for decision-making problems. While promising, return conditioning is limited to training data labeled with rewards and therefore faces challenges in learning from unsupervised data. In this work, we aim to utilize generalized future conditioning to enable efficient unsupervised pretraining from reward-free and sub-optimal offline data. We propose Pretrained Decision Transformer (PDT), a conceptually simple approach for unsupervised RL pretraining. PDT leverages future trajectory information as a privileged context to predict actions during training. The ability to make decisions based on both present and future factors enhances PDT's capability for generalization. Besides, this feature can be easily incorporated into a return-conditioned framework for online finetuning, by assigning return values to possible futures and sampling future embeddings based on their respective values. Empirically, PDT outperforms or performs on par with its supervised pretraining counterpart, especially when dealing with sub-optimal data. Further analysis reveals that PDT can extract diverse behaviors from offline data and controllably sample high-return behaviors by online finetuning. Code is available at here.

The measure of a machine learning algorithm is the difficulty of the tasks it can perform, and sufficiently difficult tasks are critical drivers of strong machine learning models. However, quantifying the generalization difficulty of machine learning benchmarks has remained challenging. We propose what is to our knowledge the first model-agnostic measure of the inherent generalization difficulty of tasks. Our inductive bias complexity measure quantifies the total information required to generalize well on a task minus the information provided by the data. It does so by measuring the fractional volume occupied by hypotheses that generalize on a task given that they fit the training data. It scales exponentially with the intrinsic dimensionality of the space over which the model must generalize but only polynomially in resolution per dimension, showing that tasks which require generalizing over many dimensions are drastically more difficult than tasks involving more detail in fewer dimensions. Our measure can be applied to compute and compare supervised learning, reinforcement learning and meta-learning generalization difficulties against each other. We show that applied empirically, it formally quantifies intuitively expected trends, e.g. that in terms of required inductive bias, MNIST < CIFAR10 < Imagenet and fully observable Markov decision processes (MDPs) < partially observable MDPs. Further, we show that classification of complex images < few-shot meta-learning with simple images. Our measure provides a quantitative metric to guide the construction of more complex tasks requiring greater inductive bias, and thereby encourages the development of more sophisticated architectures and learning algorithms with more powerful generalization capabilities.

The past decade has seen vast progress in deep reinforcement learning (RL) on the back of algorithms manually designed by human researchers. Recently, it has been shown that it is possible to meta-learn update rules, with the hope of discovering algorithms that can perform well on a wide range of RL tasks. Despite impressive initial results from algorithms such as Learned Policy Gradient (LPG), there remains a generalization gap when these algorithms are applied to unseen environments. In this work, we examine how characteristics of the meta-training distribution impact the generalization performance of these algorithms. Motivated by this analysis and building on ideas from Unsupervised Environment Design (UED), we propose a novel approach for automatically generating curricula to maximize the regret of a meta-learned optimizer, in addition to a novel approximation of regret, which we name algorithmic regret (AR). The result is our method, General RL Optimizers Obtained Via Environment Design (GROOVE). In a series of experiments, we show that GROOVE achieves superior generalization to LPG, and evaluate AR against baseline metrics from UED, identifying it as a critical component of environment design in this setting. We believe this approach is a step towards the discovery of truly general RL algorithms, capable of solving a wide range of real-world environments.

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

Generalizing to out-of-distribution (OOD) data or unseen domain, termed OOD generalization, still lacks appropriate theoretical guarantees. Canonical OOD bounds focus on different distance measurements between source and target domains but fail to consider the optimization property of the learned model. As empirically shown in recent work, the sharpness of learned minima influences OOD generalization. To bridge this gap between optimization and OOD generalization, we study the effect of sharpness on how a model tolerates data change in domain shift which is usually captured by "robustness" in generalization. In this paper, we give a rigorous connection between sharpness and robustness, which gives better OOD guarantees for robust algorithms. It also provides a theoretical backing for "flat minima leads to better OOD generalization". Overall, we propose a sharpness-based OOD generalization bound by taking robustness into consideration, resulting in a tighter bound than non-robust guarantees. Our findings are supported by the experiments on a ridge regression model, as well as the experiments on deep learning classification tasks.

Neural fields, which represent signals as a function parameterized by a neural network, are a promising alternative to traditional discrete vector or grid-based representations. Compared to discrete representations, neural representations both scale well with increasing resolution, are continuous, and can be many-times differentiable. However, given a dataset of signals that we would like to represent, having to optimize a separate neural field for each signal is inefficient, and cannot capitalize on shared information or structures among signals. Existing generalization methods view this as a meta-learning problem and employ gradient-based meta-learning to learn an initialization which is then fine-tuned with test-time optimization, or learn hypernetworks to produce the weights of a neural field. We instead propose a new paradigm that views the large-scale training of neural representations as a part of a partially-observed neural process framework, and leverage neural process algorithms to solve this task. We demonstrate that this approach outperforms both state-of-the-art gradient-based meta-learning approaches and hypernetwork approaches.

Intelligent agents must be generalists - showing the ability to quickly adapt and generalize to varying tasks. Within the framework of reinforcement learning (RL), model-based RL algorithms learn a task-agnostic dynamics model of the world, in principle allowing them to generalize to arbitrary rewards. However, one-step models naturally suffer from compounding errors, making them ineffective for problems with long horizons and large state spaces. In this work, we propose a novel class of models - generalized occupancy models (GOMs) - that retain the generality of model-based RL while avoiding compounding error. The key idea behind GOMs is to model the distribution of all possible long-term outcomes from a given state under the coverage of a stationary dataset, along with a policy that realizes a particular outcome from the given state. These models can then quickly be used to select the optimal action for arbitrary new tasks, without having to redo policy optimization. By directly modeling long-term outcomes, GOMs avoid compounding error while retaining generality across arbitrary reward functions. We provide a practical instantiation of GOMs using diffusion models and show its efficacy as a new class of transferable models, both theoretically and empirically across a variety of simulated robotics problems. Videos and code at https://weirdlabuw.github.io/gom/.