Daily Papers

Direct Preference Optimization (DPO) has emerged as a promising approach for aligning large language models with human preferences. While prior work mainly extends DPO from the aspect of the objective function, we instead improve DPO from the largely overlooked but critical aspect of data selection. Specifically, we address the issue of parameter shrinkage caused by noisy data by proposing a novel margin-maximization principle for dataset curation in DPO training. To accurately estimate margins for data selection, we propose a dual-margin guided approach that considers both external reward margins and implicit DPO reward margins. Extensive experiments demonstrate that our method reduces computational cost dramatically while improving performance. Remarkably, by using just 10\% of the Ultrafeedback dataset, our approach achieves 3\% to 8\% improvements across various Llama and Mistral series models on the AlpacaEval 2.0 benchmark. Furthermore, our approach seamlessly extends to iterative DPO, yielding a roughly 3\% improvement with 25\% online data, while further reducing training time. These results highlight the potential of data selection strategies for advancing preference optimization.

Understanding the internal representations learned by neural networks is a cornerstone challenge in the science of machine learning. While there have been significant recent strides in some cases towards understanding how neural networks implement specific target functions, this paper explores a complementary question -- why do networks arrive at particular computational strategies? Our inquiry focuses on the algebraic learning tasks of modular addition, sparse parities, and finite group operations. Our primary theoretical findings analytically characterize the features learned by stylized neural networks for these algebraic tasks. Notably, our main technique demonstrates how the principle of margin maximization alone can be used to fully specify the features learned by the network. Specifically, we prove that the trained networks utilize Fourier features to perform modular addition and employ features corresponding to irreducible group-theoretic representations to perform compositions in general groups, aligning closely with the empirical observations of Nanda et al. and Chughtai et al. More generally, we hope our techniques can help to foster a deeper understanding of why neural networks adopt specific computational strategies.

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.

Support Vector Machine (SVM) stands out as a prominent machine learning technique widely applied in practical pattern recognition tasks. It achieves binary classification by maximizing the "margin", which represents the minimum distance between instances and the decision boundary. Although many efforts have been dedicated to expanding SVM for multi-class case through strategies such as one versus one and one versus the rest, satisfactory solutions remain to be developed. In this paper, we propose a novel method for multi-class SVM that incorporates pairwise class loss considerations and maximizes the minimum margin. Adhering to this concept, we embrace a new formulation that imparts heightened flexibility to multi-class SVM. Furthermore, the correlations between the proposed method and multiple forms of multi-class SVM are analyzed. The proposed regularizer, akin to the concept of "margin", can serve as a seamless enhancement over the softmax in deep learning, providing guidance for network parameter learning. Empirical evaluations demonstrate the effectiveness and superiority of our proposed method over existing multi-classification methods.

Understanding generalization in deep neural networks is an active area of research. A promising avenue of exploration has been that of margin measurements: the shortest distance to the decision boundary for a given sample or its representation internal to the network. While margins have been shown to be correlated with the generalization ability of a model when measured at its hidden representations (hidden margins), no such link between large margins and generalization has been established for input margins. We show that while input margins are not generally predictive of generalization, they can be if the search space is appropriately constrained. We develop such a measure based on input margins, which we refer to as `constrained margins'. The predictive power of this new measure is demonstrated on the 'Predicting Generalization in Deep Learning' (PGDL) dataset and contrasted with hidden representation margins. We find that constrained margins achieve highly competitive scores and outperform other margin measurements in general. This provides a novel insight on the relationship between generalization and classification margins, and highlights the importance of considering the data manifold for investigations of generalization in DNNs.

Why does the low dimensionality of representations, typically dapprox 1000, not prevent modern embedding-based retrieval models from scaling to billions, or even trillions, of data points? To answer this question, we study maximal-margin embeddings in the following retrieval model, classically studied in communication complexity [PS86] and more recently in embedding-based retrieval [WBNL26]. Let Ain {0,1}^{Ntimes n} be a matrix indicating whether each of N queries is relevant to each of n documents. We are interested in the largest margin m>0, denoted by m^{rd}(d, A), for which there exist unit norm embeddings of the queries and documents {U_j}_{j = 1}^N, {V_i}_{i = 1}^n with the following property. langle U_j, V_irangle ge m whenever A_{ji} = 1 and langle U_j, V_irangle le -m otherwise. A large margin is a key proxy for representation quality: it controls both robustness to perturbations and compositional generalization across queries. Our main theorem establishes that the best possible margin without a restriction on the dimension, m^{rd}(+infty, A), can be nearly achieved in dimension d = O(m^{rd}(+infty, A)^{-2}log n) which improves a theorem of [BDES02]. Together with a matching lower bound in Theorem 1.5, we conclude that when Ain {0,1}^{n{k}times n} is the matrix containing all possible k-sparse rows once, dimension d = O(klog (n/k)) is necessary and sufficient for the maximal possible margin m^{rd}(+infty, A) = Θ(k^{-1/2}) in this setting. This fully resolves the setup of [WBNL26]. We also give several constructions for large margins when d = o(klog (n/k)). Finally, we empirically test the InfoNCE and sigmoid losses for producing large margin embeddings and demonstrate a clear advantage of the sigmoid loss.

The Invariant Risk Minimization (IRM) principle was first proposed by Arjovsky et al. [2019] to address the domain generalization problem by leveraging data heterogeneity from differing experimental conditions. Specifically, IRM seeks to find a data representation under which an optimal classifier remains invariant across all domains. Despite the conceptual appeal of IRM, the effectiveness of the originally proposed invariance penalty has recently been brought into question. In particular, there exists counterexamples for which that invariance penalty can be arbitrarily small for non-invariant data representations. We propose an alternative invariance penalty by revisiting the Gramian matrix of the data representation. We discuss the role of its eigenvalues in the relationship between the risk and the invariance penalty, and demonstrate that it is ill-conditioned for said counterexamples. The proposed approach is guaranteed to recover an invariant representation for linear settings under mild non-degeneracy conditions. Its effectiveness is substantiated by experiments on DomainBed and InvarianceUnitTest, two extensive test beds for domain generalization.

This paper proposes a novel algorithm for semisupervised learning. This algorithm learns graph cuts that maximize the margin with respect to the labels induced by the harmonic function solution. We motivate the approach, compare it to existing work, and prove a bound on its generalization error. The quality of our solutions is evaluated on a synthetic problem and three UCI ML repository datasets. In most cases, we outperform manifold regularization of support vector machines, which is a state-of-the-art approach to semi-supervised max-margin learning.

Deep learning algorithms can fare poorly when the training dataset suffers from heavy class-imbalance but the testing criterion requires good generalization on less frequent classes. We design two novel methods to improve performance in such scenarios. First, we propose a theoretically-principled label-distribution-aware margin (LDAM) loss motivated by minimizing a margin-based generalization bound. This loss replaces the standard cross-entropy objective during training and can be applied with prior strategies for training with class-imbalance such as re-weighting or re-sampling. Second, we propose a simple, yet effective, training schedule that defers re-weighting until after the initial stage, allowing the model to learn an initial representation while avoiding some of the complications associated with re-weighting or re-sampling. We test our methods on several benchmark vision tasks including the real-world imbalanced dataset iNaturalist 2018. Our experiments show that either of these methods alone can already improve over existing techniques and their combination achieves even better performance gains.

Software vulnerability detection is critical for ensuring software security and reliability. Despite recent advances in deep learning, real-world vulnerability datasets suffer from two severe challenges: frequency imbalance and difficulty imbalance. We reinterpret these challenges from an embedding geometry perspective, observing that such imbalances induce geometric distortions in hyperspherical representation space. To address this issue, we propose MARGIN, a metric-based framework that learns discriminative vulnerability representations through adaptive margin metric learning and hyperspherical prototype modeling. MARGIN dynamically adjusts geometric regularization according to the distribution structure estimated by the von Mises-Fisher concentration, aligning the probability mass of embedding distributions with their corresponding Voronoi cells, thereby reducing geometric distortion and yielding more stable decision boundaries. Extensive experiments on public vulnerability datasets show that MARGIN consistently outperforms strong baselines, achieving notable improvements in classification and detection, especially on challenging, imbalanced datasets. Further analysis demonstrates that MARGIN produces more structured embedding geometries, improving robustness, interpretability, and generalization.

This work investigates the selection of high-quality pre-training data from massive corpora to enhance LMs' capabilities for downstream usage. We formulate data selection as a generalized Optimal Control problem, which can be solved theoretically by Pontryagin's Maximum Principle (PMP), yielding a set of necessary conditions that characterize the relationship between optimal data selection and LM training dynamics. Based on these theoretical results, we introduce PMP-based Data Selection (PDS), a framework that approximates optimal data selection by solving the PMP conditions. In our experiments, we adopt PDS to select data from CommmonCrawl and show that the PDS-selected corpus accelerates the learning of LMs and constantly boosts their performance on a wide range of downstream tasks across various model sizes. Moreover, the benefits of PDS extend to ~400B models trained on ~10T tokens, as evidenced by the extrapolation of the test loss curves according to the Scaling Laws. PDS also improves data utilization when the pre-training data is limited, by reducing the data demand by 1.8 times, which mitigates the quick exhaustion of available web-crawled corpora. Our code, data, and model checkpoints can be found in https://github.com/microsoft/LMOps/tree/main/data_selection.

A widely used technique for improving policies is success conditioning, in which one collects trajectories, identifies those that achieve a desired outcome, and updates the policy to imitate the actions taken along successful trajectories. This principle appears under many names -- rejection sampling with SFT, goal-conditioned RL, Decision Transformers -- yet what optimization problem it solves, if any, has remained unclear. We prove that success conditioning exactly solves a trust-region optimization problem, maximizing policy improvement subject to a χ^2 divergence constraint whose radius is determined automatically by the data. This yields an identity: relative policy improvement, the magnitude of policy change, and a quantity we call action-influence -- measuring how random variation in action choices affects success rates -- are exactly equal at every state. Success conditioning thus emerges as a conservative improvement operator. Exact success conditioning cannot degrade performance or induce dangerous distribution shift, but when it fails, it does so observably, by hardly changing the policy at all. We apply our theory to the common practice of return thresholding, showing this can amplify improvement, but at the cost of potential misalignment with the true objective.

We investigate the sets of joint probability distributions that maximize the average multi-information over a collection of margins. These functionals serve as proxies for maximizing the multi-information of a set of variables or the mutual information of two subsets of variables, at a lower computation and estimation complexity. We describe the maximizers and their relations to the maximizers of the multi-information and the mutual information.

Blind image quality assessment (BIQA) is commonly built on two basic learning paradigms: regression and ranking. Regression calibrates absolute scores, whereas ranking recovers quality structure from ordinal relations. Although joint regression-ranking supervision often improves BIQA, the relation between the two paradigms remains largely empirical and underexplored. In this work, we revisit what underlies regression and ranking and identify pairwise relational distance, termed quality margin, as their common bridge. Our derivation shows that, at the objective-optimization level, both paradigms fit quality margins: regression fits margins induced by score endpoints, while ranking fits transformed or sign-level margins through preference probabilities. Motivated by this insight, we propose MR-IQA, a direct quality-margin optimization framework for reinforcement learning (RL)-based BIQA. MR-IQA samples quality scores and optimizes pairwise margin errors as policy rewards, thereby modeling quality structure more explicitly. Experiments on six BIQA benchmarks show competitive general performance, and controlled comparisons demonstrate that MR-IQA achieves the strongest average PLCC/SRCC over regression- or ranking-based RL methods. Our findings provide a new insight into unifying regression and ranking, offering a theoretical basis for understanding quality-structure modeling in BIQA and beyond.

We present a general convergent class of reinforcement learning algorithms that is founded on two distinct principles: (1) mapping value estimates to a different space using arbitrary functions from a broad class, and (2) linearly decomposing the reward signal into multiple channels. The first principle enables incorporating specific properties into the value estimator that can enhance learning. The second principle, on the other hand, allows for the value function to be represented as a composition of multiple utility functions. This can be leveraged for various purposes, e.g. dealing with highly varying reward scales, incorporating a priori knowledge about the sources of reward, and ensemble learning. Combining the two principles yields a general blueprint for instantiating convergent algorithms by orchestrating diverse mapping functions over multiple reward channels. This blueprint generalizes and subsumes algorithms such as Q-Learning, Log Q-Learning, and Q-Decomposition. In addition, our convergence proof for this general class relaxes certain required assumptions in some of these algorithms. Based on our theory, we discuss several interesting configurations as special cases. Finally, to illustrate the potential of the design space that our theory opens up, we instantiate a particular algorithm and evaluate its performance on the Atari suite.

To learn intrinsic low-dimensional structures from high-dimensional data that most discriminate between classes, we propose the principle of Maximal Coding Rate Reduction (MCR^2), an information-theoretic measure that maximizes the coding rate difference between the whole dataset and the sum of each individual class. We clarify its relationships with most existing frameworks such as cross-entropy, information bottleneck, information gain, contractive and contrastive learning, and provide theoretical guarantees for learning diverse and discriminative features. The coding rate can be accurately computed from finite samples of degenerate subspace-like distributions and can learn intrinsic representations in supervised, self-supervised, and unsupervised settings in a unified manner. Empirically, the representations learned using this principle alone are significantly more robust to label corruptions in classification than those using cross-entropy, and can lead to state-of-the-art results in clustering mixed data from self-learned invariant features.

Direct Preference Optimization (DPO) has emerged as a popular alternative to Reinforcement Learning from Human Feedback (RLHF), offering theoretical equivalence with simpler implementation. We prove this equivalence is conditional rather than universal, depending on an implicit assumption frequently violated in practice: the RLHF-optimal policy must prefer human-preferred responses. When this assumption fails, DPO optimizes relative advantage over the reference policy rather than absolute alignment with human preferences, leading to pathological convergence where policies decrease DPO loss while preferring dispreferred responses. We characterize when this assumption is violated, show the existence of an undesirable solution space, and prove that DPO and RLHF optimize fundamentally different objectives in such cases. To address this, we introduce Constrained Preference Optimization (CPO), augmenting RLHF with constraints for provable alignment. We further provide a geometric interpretation through soft margin ranking, revealing that DPO implements margin ranking with potentially negative targets. Our theoretical analysis establishes when DPOs' guarantees hold and provides solutions preserving simplicity with provable alignment. Comprehensive experiments on standard benchmarks demonstrate that CPO achieves state-of-the-art performance. Code is available at: https://github.com/visitworld123/CPO.

We seek to understand fundamental tradeoffs between the accuracy of prior information that a learner has on a given problem and its learning performance. We introduce the notion of prioritized risk, which differs from traditional notions of minimax and Bayes risk by allowing us to study such fundamental tradeoffs in settings where reality does not necessarily conform to the learner's prior. We present a general reduction-based approach for extending classical minimax lower-bound techniques in order to lower bound the prioritized risk for statistical estimation problems. We also introduce a novel generalization of Fano's inequality (which may be of independent interest) for lower bounding the prioritized risk in more general settings involving unbounded losses. We illustrate the ability of our framework to provide insights into tradeoffs between prior information and learning performance for problems in estimation, regression, and reinforcement learning.

Training machine learning models with differential privacy (DP) has received increasing interest in recent years. One of the most popular algorithms for training differentially private models is differentially private stochastic gradient descent (DPSGD) and its variants, where at each step gradients are clipped and combined with some noise. Given the increasing usage of DPSGD, we ask the question: is DPSGD alone sufficient to find a good minimizer for every dataset under privacy constraints? Towards answering this question, we show that even for the simple case of linear classification, unlike non-private optimization, (private) feature preprocessing is vital for differentially private optimization. In detail, we first show theoretically that there exists an example where without feature preprocessing, DPSGD incurs an optimality gap proportional to the maximum Euclidean norm of features over all samples. We then propose an algorithm called DPSGD-F, which combines DPSGD with feature preprocessing and prove that for classification tasks, it incurs an optimality gap proportional to the diameter of the features max_{x, x' in D} |x - x'|_2. We finally demonstrate the practicality of our algorithm on image classification benchmarks.

Fine-tuning text-to-image diffusion models with human feedback is an effective method for aligning model behavior with human intentions. However, this alignment process often suffers from slow convergence due to the large size and noise present in human feedback datasets. In this work, we propose FiFA, a novel automated data filtering algorithm designed to enhance the fine-tuning of diffusion models using human feedback datasets with direct preference optimization (DPO). Specifically, our approach selects data by solving an optimization problem to maximize three components: preference margin, text quality, and text diversity. The concept of preference margin is used to identify samples that are highly informative in addressing the noisy nature of feedback dataset, which is calculated using a proxy reward model. Additionally, we incorporate text quality, assessed by large language models to prevent harmful contents, and consider text diversity through a k-nearest neighbor entropy estimator to improve generalization. Finally, we integrate all these components into an optimization process, with approximating the solution by assigning importance score to each data pair and selecting the most important ones. As a result, our method efficiently filters data automatically, without the need for manual intervention, and can be applied to any large-scale dataset. Experimental results show that FiFA significantly enhances training stability and achieves better performance, being preferred by humans 17% more, while using less than 0.5% of the full data and thus 1% of the GPU hours compared to utilizing full human feedback datasets.

Self-attention is usually described as a flexible, content-adaptive way to mix a token with information from its past. We reinterpret causal self-attention transformers, the backbone of modern foundation models, within a probabilistic framework, much as classical PCA is extended to probabilistic PCA. This reformulation reveals a key structural consequence of the underlying change of variables: a barrier constraint emerges on the parameters of self-attention. The resulting geometry exposes a degeneracy boundary where the attention-induced mapping becomes locally ill-conditioned, yielding a stability-margin interpretation analogous to the margin in support vector machines. This, in turn, naturally gives rise to the concept of support tokens. We further show that causal transformers define a consistent stochastic process over infinite token sequences, providing a rigorous probabilistic foundation for sequence modeling. Building on this view, we derive a Bayesian MAP training objective that requires only a minimal modification to standard LLM training: adding a smooth log-barrier penalty to the usual cross-entropy loss. Empirically, the resulting training objective improves robustness to input perturbations and sharpens the margin geometry of the learned representations without sacrificing out-of-sample accuracy.

We consider a family of algorithms that successively sample and minimize simple stochastic models of the objective function. We show that under reasonable conditions on approximation quality and regularity of the models, any such algorithm drives a natural stationarity measure to zero at the rate O(k^{-1/4}). As a consequence, we obtain the first complexity guarantees for the stochastic proximal point, proximal subgradient, and regularized Gauss-Newton methods for minimizing compositions of convex functions with smooth maps. The guiding principle, underlying the complexity guarantees, is that all algorithms under consideration can be interpreted as approximate descent methods on an implicit smoothing of the problem, given by the Moreau envelope. Specializing to classical circumstances, we obtain the long-sought convergence rate of the stochastic projected gradient method, without batching, for minimizing a smooth function on a closed convex set.

Modern machine learning models deployed in the wild can encounter both covariate and semantic shifts, giving rise to the problems of out-of-distribution (OOD) generalization and OOD detection respectively. While both problems have received significant research attention lately, they have been pursued independently. This may not be surprising, since the two tasks have seemingly conflicting goals. This paper provides a new unified approach that is capable of simultaneously generalizing to covariate shifts while robustly detecting semantic shifts. We propose a margin-based learning framework that exploits freely available unlabeled data in the wild that captures the environmental test-time OOD distributions under both covariate and semantic shifts. We show both empirically and theoretically that the proposed margin constraint is the key to achieving both OOD generalization and detection. Extensive experiments show the superiority of our framework, outperforming competitive baselines that specialize in either OOD generalization or OOD detection. Code is publicly available at https://github.com/deeplearning-wisc/scone.

We analyze continual learning on a sequence of separable linear classification tasks with binary labels. We show theoretically that learning with weak regularization reduces to solving a sequential max-margin problem, corresponding to a special case of the Projection Onto Convex Sets (POCS) framework. We then develop upper bounds on the forgetting and other quantities of interest under various settings with recurring tasks, including cyclic and random orderings of tasks. We discuss several practical implications to popular training practices like regularization scheduling and weighting. We point out several theoretical differences between our continual classification setting and a recently studied continual regression setting.

We consider the distributionally robust optimization (DRO) problem with spectral risk-based uncertainty set and f-divergence penalty. This formulation includes common risk-sensitive learning objectives such as regularized condition value-at-risk (CVaR) and average top-k loss. We present Prospect, a stochastic gradient-based algorithm that only requires tuning a single learning rate hyperparameter, and prove that it enjoys linear convergence for smooth regularized losses. This contrasts with previous algorithms that either require tuning multiple hyperparameters or potentially fail to converge due to biased gradient estimates or inadequate regularization. Empirically, we show that Prospect can converge 2-3times faster than baselines such as stochastic gradient and stochastic saddle-point methods on distribution shift and fairness benchmarks spanning tabular, vision, and language domains.

We develop a method for training neural networks on Boolean data in which the values at all nodes are strictly pm 1, and the resulting models are typically equivalent to networks whose nonzero weights are also pm 1. The method replaces loss minimization with a nonconvex constraint formulation. Each node implements a Boolean threshold function (BTF), and training is expressed through a divide-and-concur decomposition into two complementary constraints: one enforces local BTF consistency between inputs, weights, and output; the other imposes architectural concurrence, equating neuron outputs with downstream inputs and enforcing weight equality across training-data instantiations of the network. The reflect-reflect-relax (RRR) projection algorithm is used to reconcile these constraints. Each BTF constraint includes a lower bound on the margin. When this bound is sufficiently large, the learned representations are provably sparse and equivalent to networks composed of simple logical gates with pm 1 weights. Across a range of tasks -- including multiplier-circuit discovery, binary autoencoding, logic-network inference, and cellular automata learning -- the method achieves exact solutions or strong generalization in regimes where standard gradient-based methods struggle. These results demonstrate that projection-based constraint satisfaction provides a viable and conceptually distinct foundation for learning in discrete neural systems, with implications for interpretability and efficient inference.

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

Stochastically Extended Adversarial (SEA) model is introduced by Sachs et al. [2022] as an interpolation between stochastic and adversarial online convex optimization. Under the smoothness condition, they demonstrate that the expected regret of optimistic follow-the-regularized-leader (FTRL) depends on the cumulative stochastic variance sigma_{1:T}^2 and the cumulative adversarial variation Sigma_{1:T}^2 for convex functions. They also provide a slightly weaker bound based on the maximal stochastic variance sigma_{max}^2 and the maximal adversarial variation Sigma_{max}^2 for strongly convex functions. Inspired by their work, we investigate the theoretical guarantees of optimistic online mirror descent (OMD) for the SEA model. For convex and smooth functions, we obtain the same O(sigma_{1:T^2}+Sigma_{1:T^2}) regret bound, without the convexity requirement of individual functions. For strongly convex and smooth functions, we establish an O(min{log (sigma_{1:T}^2+Sigma_{1:T}^2), (sigma_{max}^2 + Sigma_{max}^2) log T}) bound, better than their O((sigma_{max}^2 + Sigma_{max}^2) log T) bound. For exp-concave and smooth functions, we achieve a new O(dlog(sigma_{1:T}^2+Sigma_{1:T}^2)) bound. Owing to the OMD framework, we can further extend our result to obtain dynamic regret guarantees, which are more favorable in non-stationary online scenarios. The attained results allow us to recover excess risk bounds of the stochastic setting and regret bounds of the adversarial setting, and derive new guarantees for many intermediate scenarios.

Recently, a popular line of research in face recognition is adopting margins in the well-established softmax loss function to maximize class separability. In this paper, we first introduce an Additive Angular Margin Loss (ArcFace), which not only has a clear geometric interpretation but also significantly enhances the discriminative power. Since ArcFace is susceptible to the massive label noise, we further propose sub-center ArcFace, in which each class contains K sub-centers and training samples only need to be close to any of the K positive sub-centers. Sub-center ArcFace encourages one dominant sub-class that contains the majority of clean faces and non-dominant sub-classes that include hard or noisy faces. Based on this self-propelled isolation, we boost the performance through automatically purifying raw web faces under massive real-world noise. Besides discriminative feature embedding, we also explore the inverse problem, mapping feature vectors to face images. Without training any additional generator or discriminator, the pre-trained ArcFace model can generate identity-preserved face images for both subjects inside and outside the training data only by using the network gradient and Batch Normalization (BN) priors. Extensive experiments demonstrate that ArcFace can enhance the discriminative feature embedding as well as strengthen the generative face synthesis.

The bandits with knapsack (BwK) framework models online decision-making problems in which an agent makes a sequence of decisions subject to resource consumption constraints. The traditional model assumes that each action consumes a non-negative amount of resources and the process ends when the initial budgets are fully depleted. We study a natural generalization of the BwK framework which allows non-monotonic resource utilization, i.e., resources can be replenished by a positive amount. We propose a best-of-both-worlds primal-dual template that can handle any online learning problem with replenishment for which a suitable primal regret minimizer exists. In particular, we provide the first positive results for the case of adversarial inputs by showing that our framework guarantees a constant competitive ratio alpha when B=Omega(T) or when the possible per-round replenishment is a positive constant. Moreover, under a stochastic input model, our algorithm yields an instance-independent O(T^{1/2}) regret bound which complements existing instance-dependent bounds for the same setting. Finally, we provide applications of our framework to some economic problems of practical relevance.

For nonconvex optimization in machine learning, this article proves that every local minimum achieves the globally optimal value of the perturbable gradient basis model at any differentiable point. As a result, nonconvex machine learning is theoretically as supported as convex machine learning with a handcrafted basis in terms of the loss at differentiable local minima, except in the case when a preference is given to the handcrafted basis over the perturbable gradient basis. The proofs of these results are derived under mild assumptions. Accordingly, the proven results are directly applicable to many machine learning models, including practical deep neural networks, without any modification of practical methods. Furthermore, as special cases of our general results, this article improves or complements several state-of-the-art theoretical results on deep neural networks, deep residual networks, and overparameterized deep neural networks with a unified proof technique and novel geometric insights. A special case of our results also contributes to the theoretical foundation of representation learning.

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

Many important optimization problems, such as the minimum spanning tree and minimum-cost flow, can be solved optimally by a greedy method. In this work, we study a learning variant of these problems, where the model of the problem is unknown and has to be learned by interacting repeatedly with the environment in the bandit setting. We formalize our learning problem quite generally, as learning how to maximize an unknown modular function on a known polymatroid. We propose a computationally efficient algorithm for solving our problem and bound its expected cumulative regret. Our gap-dependent upper bound is tight up to a constant and our gap-free upper bound is tight up to polylogarithmic factors. Finally, we evaluate our method on three problems and demonstrate that it is practical.

Direct Preference Optimization (DPO) has emerged as a simple and effective method for aligning large language models. However, its reliance on a fixed temperature parameter leads to suboptimal training on diverse preference data, causing overfitting on easy examples and under-learning from informative ones. Recent methods have emerged to counter this. While IPO addresses general overfitting, its uniform regularization can be overly conservative. The more targeted approach of beta-DPO suffers from its own limitations: its batch-level adaptation applies a single, compromised temperature to mixed-margin pairs, its linear update rule can produce unstable negative beta values, and its filtering mechanism discards potentially useful training signals. In this work, we introduce Margin-Adaptive Direct Preference Optimization (MADPO), a method that provides a stable, data-preserving, and instance-level solution. MADPO employs a practical two-step approach: it first trains a reward model to estimate preference margins and then uses these margins to apply a continuous, adaptive weight to the DPO loss for each individual training sample. This re-weighting scheme creates an effective target margin that is amplified for hard pairs and dampened for easy pairs, allowing for granular control over the learning signal. We provide a comprehensive theoretical analysis, proving that MADPO has a well-behaved optimization landscape and is robust to reward model estimation errors. We validate our theory with experiments on a sentiment generation task, where MADPO consistently and significantly outperforms strong baselines across datasets of varying quality. It achieves performance gains of up to +33.3\% on High Quality data and +10.5\% on Low Quality data over the next-best method. Our results establish MADPO as a more robust and principled approach to preference alignment.

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

This paper introduces a new biologically-inspired training method named Continual Learning through Adjustment Suppression and Sparsity Promotion (CLASSP). CLASSP is based on two main principles observed in neuroscience, particularly in the context of synaptic transmission and Long-Term Potentiation (LTP). The first principle is a decay rate over the weight adjustment, which is implemented as a generalization of the AdaGrad optimization algorithm. This means that weights that have received many updates should have lower learning rates as they likely encode important information about previously seen data. However, this principle results in a diffuse distribution of updates throughout the model, as it promotes updates for weights that haven't been previously updated, while a sparse update distribution is preferred to leave weights unassigned for future tasks. Therefore, the second principle introduces a threshold on the loss gradient. This promotes sparse learning by updating a weight only if the loss gradient with respect to that weight is above a certain threshold, i.e. only updating weights with a significant impact on the current loss. Both principles reflect phenomena observed in LTP, where a threshold effect and a gradual saturation of potentiation have been observed. CLASSP is implemented in a Python/PyTorch class, making it applicable to any model. When compared with Elastic Weight Consolidation (EWC) using Computer Vision and sentiment analysis datasets, CLASSP demonstrates superior performance in terms of accuracy and memory footprint.

Learning discriminative face features plays a major role in building high-performing face recognition models. The recent state-of-the-art face recognition solutions proposed to incorporate a fixed penalty margin on commonly used classification loss function, softmax loss, in the normalized hypersphere to increase the discriminative power of face recognition models, by minimizing the intra-class variation and maximizing the inter-class variation. Marginal penalty softmax losses, such as ArcFace and CosFace, assume that the geodesic distance between and within the different identities can be equally learned using a fixed penalty margin. However, such a learning objective is not realistic for real data with inconsistent inter-and intra-class variation, which might limit the discriminative and generalizability of the face recognition model. In this paper, we relax the fixed penalty margin constrain by proposing elastic penalty margin loss (ElasticFace) that allows flexibility in the push for class separability. The main idea is to utilize random margin values drawn from a normal distribution in each training iteration. This aims at giving the decision boundary chances to extract and retract to allow space for flexible class separability learning. We demonstrate the superiority of our ElasticFace loss over ArcFace and CosFace losses, using the same geometric transformation, on a large set of mainstream benchmarks. From a wider perspective, our ElasticFace has advanced the state-of-the-art face recognition performance on seven out of nine mainstream benchmarks.

This paper re-examines a continuous optimization framework dubbed NOTEARS for learning Bayesian networks. We first generalize existing algebraic characterizations of acyclicity to a class of matrix polynomials. Next, focusing on a one-parameter-per-edge setting, it is shown that the Karush-Kuhn-Tucker (KKT) optimality conditions for the NOTEARS formulation cannot be satisfied except in a trivial case, which explains a behavior of the associated algorithm. We then derive the KKT conditions for an equivalent reformulation, show that they are indeed necessary, and relate them to explicit constraints that certain edges be absent from the graph. If the score function is convex, these KKT conditions are also sufficient for local minimality despite the non-convexity of the constraint. Informed by the KKT conditions, a local search post-processing algorithm is proposed and shown to substantially and universally improve the structural Hamming distance of all tested algorithms, typically by a factor of 2 or more. Some combinations with local search are both more accurate and more efficient than the original NOTEARS.

Reinforcement Learning (RL) for Large Language Models (LLMs) often suffers from training collapse in long-horizon tasks due to exploding gradient variance. To mitigate this, a baseline is commonly introduced for advantage computation; however, traditional value models remain difficult to optimize, and standard group-based baselines overlook sequence heterogeneity. Although classic optimal baseline theory can achieve global variance reduction, it neglects token heterogeneity and requires prohibitive gradient-based computation. In this work, we derive the Optimal Token Baseline (OTB) from first principles, proving that gradient updates should be weighted inversely to their cumulative gradient norm. To ensure efficiency, we propose the Logit-Gradient Proxy that approximates the gradient norm using only forward-pass probabilities. Our method achieves training stability and matches the performance of large group sizes (N=32) with only N=4, reducing token consumption by over 65% across single-turn and tool-integrated reasoning tasks.

Deep AUC Maximization (DAM) is a new paradigm for learning a deep neural network by maximizing the AUC score of the model on a dataset. Most previous works of AUC maximization focus on the perspective of optimization by designing efficient stochastic algorithms, and studies on generalization performance of large-scale DAM on difficult tasks are missing. In this work, we aim to make DAM more practical for interesting real-world applications (e.g., medical image classification). First, we propose a new margin-based min-max surrogate loss function for the AUC score (named as AUC min-max-margin loss or simply AUC margin loss for short). It is more robust than the commonly used AUC square loss, while enjoying the same advantage in terms of large-scale stochastic optimization. Second, we conduct extensive empirical studies of our DAM method on four difficult medical image classification tasks, namely (i) classification of chest x-ray images for identifying many threatening diseases, (ii) classification of images of skin lesions for identifying melanoma, (iii) classification of mammogram for breast cancer screening, and (iv) classification of microscopic images for identifying tumor tissue. Our studies demonstrate that the proposed DAM method improves the performance of optimizing cross-entropy loss by a large margin, and also achieves better performance than optimizing the existing AUC square loss on these medical image classification tasks. Specifically, our DAM method has achieved the 1st place on Stanford CheXpert competition on Aug. 31, 2020. To the best of our knowledge, this is the first work that makes DAM succeed on large-scale medical image datasets. We also conduct extensive ablation studies to demonstrate the advantages of the new AUC margin loss over the AUC square loss on benchmark datasets. The proposed method is implemented in our open-sourced library LibAUC (www.libauc.org).

We study linear contextual bandits in the misspecified setting, where the expected reward function can be approximated by a linear function class up to a bounded misspecification level zeta>0. We propose an algorithm based on a novel data selection scheme, which only selects the contextual vectors with large uncertainty for online regression. We show that, when the misspecification level zeta is dominated by tilde O (Delta / d) with Delta being the minimal sub-optimality gap and d being the dimension of the contextual vectors, our algorithm enjoys the same gap-dependent regret bound tilde O (d^2/Delta) as in the well-specified setting up to logarithmic factors. In addition, we show that an existing algorithm SupLinUCB (Chu et al., 2011) can also achieve a gap-dependent constant regret bound without the knowledge of sub-optimality gap Delta. Together with a lower bound adapted from Lattimore et al. (2020), our result suggests an interplay between misspecification level and the sub-optimality gap: (1) the linear contextual bandit model is efficiently learnable when zeta leq tilde O(Delta / d); and (2) it is not efficiently learnable when zeta geq tilde Omega({Delta} / {d}). Experiments on both synthetic and real-world datasets corroborate our theoretical results.

This work studies the general principles of improving the learning of language models (LMs), which aims at reducing the necessary training steps for achieving superior performance. Specifically, we present a theory for the optimal learning of LMs. We first propose an objective that optimizes LM learning by maximizing the data compression ratio in an "LM-training-as-lossless-compression" view. Then, we derive a theorem, named Learning Law, to reveal the properties of the dynamics in the optimal learning process under our objective. The theorem is then validated by experiments on a linear classification and a real-world language modeling task. Finally, we empirically verify that the optimal learning of LMs essentially stems from the improvement of the coefficients in the scaling law of LMs, indicating great promise and significance for designing practical learning acceleration methods. Our code can be found at https://aka.ms/LearningLaw.

We design learning rate schedules that minimize regret for SGD-based online learning in the presence of a changing data distribution. We fully characterize the optimal learning rate schedule for online linear regression via a novel analysis with stochastic differential equations. For general convex loss functions, we propose new learning rate schedules that are robust to distribution shift, and we give upper and lower bounds for the regret that only differ by constants. For non-convex loss functions, we define a notion of regret based on the gradient norm of the estimated models and propose a learning schedule that minimizes an upper bound on the total expected regret. Intuitively, one expects changing loss landscapes to require more exploration, and we confirm that optimal learning rate schedules typically increase in the presence of distribution shift. Finally, we provide experiments for high-dimensional regression models and neural networks to illustrate these learning rate schedules and their cumulative regret.

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.

We provide the first proof of learning rate transfer with width in a linear multi-layer perceptron (MLP) parametrized with muP, a neural network parameterization designed to ``maximize'' feature learning in the infinite-width limit. We show that under mu P, the optimal learning rate converges to a non-zero constant as width goes to infinity, providing a theoretical explanation to learning rate transfer. In contrast, we show that this property fails to hold under alternative parametrizations such as Standard Parametrization (SP) and Neural Tangent Parametrization (NTP). We provide intuitive proofs and support the theoretical findings with extensive empirical results.

Deep neural networks have demonstrated remarkable performance in supervised learning tasks but require large amounts of labeled data. Self-supervised learning offers an alternative paradigm, enabling the model to learn from data without explicit labels. Information theory has been instrumental in understanding and optimizing deep neural networks. Specifically, the information bottleneck principle has been applied to optimize the trade-off between compression and relevant information preservation in supervised settings. However, the optimal information objective in self-supervised learning remains unclear. In this paper, we review various approaches to self-supervised learning from an information-theoretic standpoint and present a unified framework that formalizes the self-supervised information-theoretic learning problem. We integrate existing research into a coherent framework, examine recent self-supervised methods, and identify research opportunities and challenges. Moreover, we discuss empirical measurement of information-theoretic quantities and their estimators. This paper offers a comprehensive review of the intersection between information theory, self-supervised learning, and deep neural networks.

We propose a new definition of instance optimality for differentially private estimation algorithms. Our definition requires an optimal algorithm to compete, simultaneously for every dataset D, with the best private benchmark algorithm that (a) knows D in advance and (b) is evaluated by its worst-case performance on large subsets of D. That is, the benchmark algorithm need not perform well when potentially extreme points are added to D; it only has to handle the removal of a small number of real data points that already exist. This makes our benchmark significantly stronger than those proposed in prior work. We nevertheless show, for real-valued datasets, how to construct private algorithms that achieve our notion of instance optimality when estimating a broad class of dataset properties, including means, quantiles, and ell_p-norm minimizers. For means in particular, we provide a detailed analysis and show that our algorithm simultaneously matches or exceeds the asymptotic performance of existing algorithms under a range of distributional assumptions.

RRT* is one of the most widely used sampling-based algorithms for asymptotically-optimal motion planning. This algorithm laid the foundations for optimality in motion planning as a whole, and inspired the development of numerous new algorithms in the field, many of which build upon RRT* itself. In this paper, we first identify a logical gap in the optimality proof of RRT*, which was developed in Karaman and Frazzoli (2011). Then, we present an alternative and mathematically-rigorous proof for asymptotic optimality. Our proof suggests that the connection radius used by RRT* should be increased from γleft(log n{n}right)^{1/d} to γ' left(log n{n}right)^{1/(d+1)} in order to account for the additional dimension of time that dictates the samples' ordering. Here γ, γ', are constants, and n, d, are the number of samples and the dimension of the problem, respectively.

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

In risk-averse reinforcement learning (RL), the goal is to optimize some risk measure of the returns. A risk measure often focuses on the worst returns out of the agent's experience. As a result, standard methods for risk-averse RL often ignore high-return strategies. We prove that under certain conditions this inevitably leads to a local-optimum barrier, and propose a soft risk mechanism to bypass it. We also devise a novel Cross Entropy module for risk sampling, which (1) preserves risk aversion despite the soft risk; (2) independently improves sample efficiency. By separating the risk aversion of the sampler and the optimizer, we can sample episodes with poor conditions, yet optimize with respect to successful strategies. We combine these two concepts in CeSoR - Cross-entropy Soft-Risk optimization algorithm - which can be applied on top of any risk-averse policy gradient (PG) method. We demonstrate improved risk aversion in maze navigation, autonomous driving, and resource allocation benchmarks, including in scenarios where standard risk-averse PG completely fails.

Gradient clipping is a popular modification to standard (stochastic) gradient descent, at every iteration limiting the gradient norm to a certain value c >0. It is widely used for example for stabilizing the training of deep learning models (Goodfellow et al., 2016), or for enforcing differential privacy (Abadi et al., 2016). Despite popularity and simplicity of the clipping mechanism, its convergence guarantees often require specific values of c and strong noise assumptions. In this paper, we give convergence guarantees that show precise dependence on arbitrary clipping thresholds c and show that our guarantees are tight with both deterministic and stochastic gradients. In particular, we show that (i) for deterministic gradient descent, the clipping threshold only affects the higher-order terms of convergence, (ii) in the stochastic setting convergence to the true optimum cannot be guaranteed under the standard noise assumption, even under arbitrary small step-sizes. We give matching upper and lower bounds for convergence of the gradient norm when running clipped SGD, and illustrate these results with experiments.

We study the problem of global maximization of a function f given a finite number of evaluations perturbed by noise. We consider a very weak assumption on the function, namely that it is locally smooth (in some precise sense) with respect to some semi-metric, around one of its global maxima. Compared to previous works on bandits in general spaces (Kleinberg et al., 2008; Bubeck et al., 2011a) our algorithm does not require the knowledge of this semi-metric. Our algorithm, StoSOO, follows an optimistic strategy to iteratively construct upper confidence bounds over the hierarchical partitions of the function domain to decide which point to sample next. A finite-time analysis of StoSOO shows that it performs almost as well as the best specifically-tuned algorithms even though the local smoothness of the function is not known.

We study image segmentation from an information-theoretic perspective, proposing a novel adversarial method that performs unsupervised segmentation by partitioning images into maximally independent sets. More specifically, we group image pixels into foreground and background, with the goal of minimizing predictability of one set from the other. An easily computed loss drives a greedy search process to maximize inpainting error over these partitions. Our method does not involve training deep networks, is computationally cheap, class-agnostic, and even applicable in isolation to a single unlabeled image. Experiments demonstrate that it achieves a new state-of-the-art in unsupervised segmentation quality, while being substantially faster and more general than competing approaches.

We develop a variant of the stochastic prox-linear method for minimizing the Conditional Value-at-Risk (CVaR) objective. CVaR is a risk measure focused on minimizing worst-case performance, defined as the average of the top quantile of the losses. In machine learning, such a risk measure is useful to train more robust models. Although the stochastic subgradient method (SGM) is a natural choice for minimizing the CVaR objective, we show that our stochastic prox-linear (SPL+) algorithm can better exploit the structure of the objective, while still providing a convenient closed form update. Our SPL+ method also adapts to the scaling of the loss function, which allows for easier tuning. We then specialize a general convergence theorem for SPL+ to our setting, and show that it allows for a wider selection of step sizes compared to SGM. We support this theoretical finding experimentally.

Despite the promise of Lipschitz-based methods for provably-robust deep learning with deterministic guarantees, current state-of-the-art results are limited to feed-forward Convolutional Networks (ConvNets) on low-dimensional data, such as CIFAR-10. This paper investigates strategies for expanding certifiably robust training to larger, deeper models. A key challenge in certifying deep networks is efficient calculation of the Lipschitz bound for residual blocks found in ResNet and ViT architectures. We show that fast ways of bounding the Lipschitz constant for conventional ResNets are loose, and show how to address this by designing a new residual block, leading to the Linear ResNet (LiResNet) architecture. We then introduce Efficient Margin MAximization (EMMA), a loss function that stabilizes robust training by simultaneously penalizing worst-case adversarial examples from all classes. Together, these contributions yield new state-of-the-art robust accuracy on CIFAR-10/100 and Tiny-ImageNet under ell_2 perturbations. Moreover, for the first time, we are able to scale up fast deterministic robustness guarantees to ImageNet, demonstrating that this approach to robust learning can be applied to real-world applications. We release our code on Github: https://github.com/klasleino/gloro.

The remarkable success of large language pretraining and the discovery of scaling laws signify a paradigm shift in machine learning. Notably, the primary objective has evolved from minimizing generalization error to reducing approximation error, and the most effective strategy has transitioned from regularization (in a broad sense) to scaling up models. This raises a critical question: Do the established principles that proved successful in the generalization-centric era remain valid in this new era of scaling? This paper examines several influential regularization-based principles that may no longer hold true in the scaling-centric, large language model (LLM) era. These principles include explicit L2 regularization and implicit regularization through small batch sizes and large learning rates. Additionally, we identify a new phenomenon termed ``scaling law crossover,'' where two scaling curves intersect at a certain scale, implying that methods effective at smaller scales may not generalize to larger ones. Together, these observations highlight two fundamental questions within this new paradigm: bullet Guiding Principles for Scaling: If regularization is no longer the primary guiding principle for model design, what new principles are emerging to guide scaling? bullet Model Comparison at Scale: How to reliably and effectively compare models at the scale where only a single experiment is feasible?

Reinforcement fine-tuning with verifiable rewards (RLVR) has emerged as a powerful paradigm for equipping large vision-language models (LVLMs) with agentic capabilities such as tool use and multi-step reasoning. Despite striking empirical successes, most notably Visual Agentic Reinforcement Fine-Tuning (Visual-ARFT), the theoretical underpinnings of this paradigm remain poorly understood. In particular, two critical questions lack rigorous answers: (i)~how does the composite structure of verifiable rewards (format compliance, answer accuracy, tool executability) affect the convergence of Group Relative Policy Optimization (GRPO), and (ii)~why does training on a small set of tool-augmented tasks transfer to out-of-distribution domains? We address these gaps by introducing the Tool-Augmented Markov Decision Process (TA-MDP), a formal framework that models multimodal agentic decision-making with bounded-depth tool calls. Within this framework, we establish three main results. First, we prove that GRPO under composite verifiable rewards converges to a first-order stationary point at rate O(1/T) with explicit dependence on the number of reward components and group size (Theorem~1). Second, we derive a Reward Decomposition Theorem that bounds the sub-optimality gap between decomposed per-component optimization and joint optimization, providing a precise characterization of when reward decomposition is beneficial (Theorem~2). Third, we establish a PAC-Bayes generalization bound for tool-augmented policies that explains the strong out-of-distribution transfer observed in Visual-ARFT (Theorem~3).

Reinforcement Learning from Human Feedback (RLHF) has emerged as a popular paradigm for aligning models with human intent. Typically RLHF algorithms operate in two phases: first, use human preferences to learn a reward function and second, align the model by optimizing the learned reward via reinforcement learning (RL). This paradigm assumes that human preferences are distributed according to reward, but recent work suggests that they instead follow the regret under the user's optimal policy. Thus, learning a reward function from feedback is not only based on a flawed assumption of human preference, but also leads to unwieldy optimization challenges that stem from policy gradients or bootstrapping in the RL phase. Because of these optimization challenges, contemporary RLHF methods restrict themselves to contextual bandit settings (e.g., as in large language models) or limit observation dimensionality (e.g., state-based robotics). We overcome these limitations by introducing a new family of algorithms for optimizing behavior from human feedback using the regret-based model of human preferences. Using the principle of maximum entropy, we derive Contrastive Preference Learning (CPL), an algorithm for learning optimal policies from preferences without learning reward functions, circumventing the need for RL. CPL is fully off-policy, uses only a simple contrastive objective, and can be applied to arbitrary MDPs. This enables CPL to elegantly scale to high-dimensional and sequential RLHF problems while being simpler than prior methods.

In this paper we provide a novel analytical perspective on the theoretical understanding of gradient-based learning algorithms by interpreting consensus-based optimization (CBO), a recently proposed multi-particle derivative-free optimization method, as a stochastic relaxation of gradient descent. Remarkably, we observe that through communication of the particles, CBO exhibits a stochastic gradient descent (SGD)-like behavior despite solely relying on evaluations of the objective function. The fundamental value of such link between CBO and SGD lies in the fact that CBO is provably globally convergent to global minimizers for ample classes of nonsmooth and nonconvex objective functions, hence, on the one side, offering a novel explanation for the success of stochastic relaxations of gradient descent. On the other side, contrary to the conventional wisdom for which zero-order methods ought to be inefficient or not to possess generalization abilities, our results unveil an intrinsic gradient descent nature of such heuristics. This viewpoint furthermore complements previous insights into the working principles of CBO, which describe the dynamics in the mean-field limit through a nonlinear nonlocal partial differential equation that allows to alleviate complexities of the nonconvex function landscape. Our proofs leverage a completely nonsmooth analysis, which combines a novel quantitative version of the Laplace principle (log-sum-exp trick) and the minimizing movement scheme (proximal iteration). In doing so, we furnish useful and precise insights that explain how stochastic perturbations of gradient descent overcome energy barriers and reach deep levels of nonconvex functions. Instructive numerical illustrations support the provided theoretical insights.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

The softmax function is widely used in artificial neural networks for the multiclass classification problems, where the softmax transformation enforces the output to be positive and sum to one, and the corresponding loss function allows to use maximum likelihood principle to optimize the model. However, softmax leaves a large margin for loss function to conduct optimizing operation when it comes to high-dimensional classification, which results in low-performance to some extent. In this paper, we provide an empirical study on a simple and concise softmax variant, namely sparse-softmax, to alleviate the problem that occurred in traditional softmax in terms of high-dimensional classification problems. We evaluate our approach in several interdisciplinary tasks, the experimental results show that sparse-softmax is simpler, faster, and produces better results than the baseline models.

We consider a class of structured fractional minimization problems, in which the numerator part of the objective is the sum of a differentiable convex function and a convex non-smooth function, while the denominator part is a convex or concave function. This problem is difficult to solve since it is non-convex. By exploiting the structure of the problem, we propose two Coordinate Descent (CD) methods for solving this problem. The proposed methods iteratively solve a one-dimensional subproblem globally, and they are guaranteed to converge to coordinate-wise stationary points. In the case of a convex denominator, under a weak locally bounded non-convexity condition, we prove that the optimality of coordinate-wise stationary point is stronger than that of the standard critical point and directional point. Under additional suitable conditions, CD methods converge Q-linearly to coordinate-wise stationary points. In the case of a concave denominator, we show that any critical point is a global minimum, and CD methods converge to the global minimum with a sublinear convergence rate. We demonstrate the applicability of the proposed methods to some machine learning and signal processing models. Our experiments on real-world data have shown that our method significantly and consistently outperforms existing methods in terms of accuracy.

Portfolio Selection is an important real-world financial task and has attracted extensive attention in artificial intelligence communities. This task, however, has two main difficulties: (i) the non-stationary price series and complex asset correlations make the learning of feature representation very hard; (ii) the practicality principle in financial markets requires controlling both transaction and risk costs. Most existing methods adopt handcraft features and/or consider no constraints for the costs, which may make them perform unsatisfactorily and fail to control both costs in practice. In this paper, we propose a cost-sensitive portfolio selection method with deep reinforcement learning. Specifically, a novel two-stream portfolio policy network is devised to extract both price series patterns and asset correlations, while a new cost-sensitive reward function is developed to maximize the accumulated return and constrain both costs via reinforcement learning. We theoretically analyze the near-optimality of the proposed reward, which shows that the growth rate of the policy regarding this reward function can approach the theoretical optimum. We also empirically evaluate the proposed method on real-world datasets. Promising results demonstrate the effectiveness and superiority of the proposed method in terms of profitability, cost-sensitivity and representation abilities.

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

We characterize the statistical efficiency of knowledge transfer through n samples from a teacher to a probabilistic student classifier with input space mathcal S over labels mathcal A. We show that privileged information at three progressive levels accelerates the transfer. At the first level, only samples with hard labels are known, via which the maximum likelihood estimator attains the minimax rate {|{mathcal S||{mathcal A}|}/{n}}. The second level has the teacher probabilities of sampled labels available in addition, which turns out to boost the convergence rate lower bound to {{|{mathcal S}||{mathcal A}|}/{n}}. However, under this second data acquisition protocol, minimizing a naive adaptation of the cross-entropy loss results in an asymptotically biased student. We overcome this limitation and achieve the fundamental limit by using a novel empirical variant of the squared error logit loss. The third level further equips the student with the soft labels (complete logits) on {mathcal A} given every sampled input, thereby provably enables the student to enjoy a rate {|{mathcal S}|}/{n} free of |{mathcal A}|. We find any Kullback-Leibler divergence minimizer to be optimal in the last case. Numerical simulations distinguish the four learners and corroborate our theory.

The alignment of Large Language Models (LLMs) is crucial for ensuring their safety and reliability in practical applications. Direct Preference Optimization (DPO) has emerged as an efficient method that directly optimizes models using preference pairs, significantly reducing resource demands. However, the effectiveness of DPO heavily depends on the data quality, which is frequently compromised by noise. In this work, we propose gamma-PO, a dynamic target margin preference optimization algorithm that adjust reward margins at the pairwise level. By introducing instance-specific margin calibration, gamma-PO strategically prioritizes high-confidence pairs (those demonstrating higher reward margins) while suppressing potential noise from ambiguous pairs. Moreover, gamma-PO is a plug-and-play method, compatible with variants of DPO that rely on reward margin between preference pairs. Across benchmarks such as AlpacaEval2 and Arena-Hard, gamma-PO achieves an average 4.4\% improvement over other baselines, setting new benchmarks for state-of-the-art performance. Additionally, gamma-PO requires minimal code changes and has a negligible impact on training efficiency, making it a robust solution for enhancing LLMs alignment. Our codes are available at https://github.com/sunjie279/gammaPO{https://github.com/sunjie279/gammaPO}.

Semi-supervised algorithms aim to learn prediction functions from a small set of labeled observations and a large set of unlabeled observations. Because this framework is relevant in many applications, they have received a lot of interest in both academia and industry. Among the existing techniques, self-training methods have undoubtedly attracted greater attention in recent years. These models are designed to find the decision boundary on low density regions without making additional assumptions about the data distribution, and use the unsigned output score of a learned classifier, or its margin, as an indicator of confidence. The working principle of self-training algorithms is to learn a classifier iteratively by assigning pseudo-labels to the set of unlabeled training samples with a margin greater than a certain threshold. The pseudo-labeled examples are then used to enrich the labeled training data and to train a new classifier in conjunction with the labeled training set. In this paper, we present self-training methods for binary and multi-class classification; as well as their variants and two related approaches, namely consistency-based approaches and transductive learning. We examine the impact of significant self-training features on various methods, using different general and image classification benchmarks, and we discuss our ideas for future research in self-training. To the best of our knowledge, this is the first thorough and complete survey on this subject.

We revisit the noisy binary search model of Karp and Kleinberg, in which we have n coins with unknown probabilities p_i that we can flip. The coins are sorted by increasing p_i, and we would like to find where the probability crosses (to within varepsilon) of a target value tau. This generalized the fixed-noise model of Burnashev and Zigangirov , in which p_i = 1{2} pm varepsilon, to a setting where coins near the target may be indistinguishable from it. Karp and Kleinberg showed that Theta(1{varepsilon^2} log n) samples are necessary and sufficient for this task. We produce a practical algorithm by solving two theoretical challenges: high-probability behavior and sharp constants. We give an algorithm that succeeds with probability 1-delta from \[ 1{C_{\tau, \varepsilon}} \cdot \left(\lg n + O(\log^{2/3} n \log^{1/3} 1{\delta} + \log 1{\delta})\right) \] samples, where C_{tau, varepsilon} is the optimal such constant achievable. For delta > n^{-o(1)} this is within 1 + o(1) of optimal, and for delta ll 1 it is the first bound within constant factors of optimal.

Dictionary learning is a classic representation learning method that has been widely applied in signal processing and data analytics. In this paper, we investigate a family of ell_p-norm (p>2,p in N) maximization approaches for the complete dictionary learning problem from theoretical and algorithmic aspects. Specifically, we prove that the global maximizers of these formulations are very close to the true dictionary with high probability, even when Gaussian noise is present. Based on the generalized power method (GPM), an efficient algorithm is then developed for the ell_p-based formulations. We further show the efficacy of the developed algorithm: for the population GPM algorithm over the sphere constraint, it first quickly enters the neighborhood of a global maximizer, and then converges linearly in this region. Extensive experiments will demonstrate that the ell_p-based approaches enjoy a higher computational efficiency and better robustness than conventional approaches and p=3 performs the best.

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

When deploying a single predictor across multiple subpopulations, we propose a fundamentally different approach: interpreting group fairness as a bargaining problem among subpopulations. This game-theoretic perspective reveals that existing robust optimization methods such as minimizing worst-group loss or regret correspond to classical bargaining solutions and embody different fairness principles. We propose relative improvement, the ratio of actual risk reduction to potential reduction from a baseline predictor, which recovers the Kalai-Smorodinsky solution. Unlike absolute-scale methods that may not be comparable when groups have different potential predictability, relative improvement provides axiomatic justification including scale invariance and individual monotonicity. We establish finite-sample convergence guarantees under mild conditions.

Optimal transport (OT) theory has been been used in machine learning to study and characterize maps that can push-forward efficiently a probability measure onto another. Recent works have drawn inspiration from Brenier's theorem, which states that when the ground cost is the squared-Euclidean distance, the ``best'' map to morph a continuous measure in P(Rd) into another must be the gradient of a convex function. To exploit that result, [Makkuva+ 2020, Korotin+2020] consider maps T=nabla f_theta, where f_theta is an input convex neural network (ICNN), as defined by Amos+2017, and fit theta with SGD using samples. Despite their mathematical elegance, fitting OT maps with ICNNs raises many challenges, due notably to the many constraints imposed on theta; the need to approximate the conjugate of f_theta; or the limitation that they only work for the squared-Euclidean cost. More generally, we question the relevance of using Brenier's result, which only applies to densities, to constrain the architecture of candidate maps fitted on samples. Motivated by these limitations, we propose a radically different approach to estimating OT maps: Given a cost c and a reference measure rho, we introduce a regularizer, the Monge gap M^c_{rho}(T) of a map T. That gap quantifies how far a map T deviates from the ideal properties we expect from a c-OT map. In practice, we drop all architecture requirements for T and simply minimize a distance (e.g., the Sinkhorn divergence) between Tsharpmu and nu, regularized by M^c_rho(T). We study M^c_{rho}, and show how our simple pipeline outperforms significantly other baselines in practice.

We address the problem of optimizing a Brownian motion. We consider a (random) realization W of a Brownian motion with input space in [0,1]. Given W, our goal is to return an ε-approximation of its maximum using the smallest possible number of function evaluations, the sample complexity of the algorithm. We provide an algorithm with sample complexity of order log^2(1/ε). This improves over previous results of Al-Mharmah and Calvin (1996) and Calvin et al. (2017) which provided only polynomial rates. Our algorithm is adaptive---each query depends on previous values---and is an instance of the optimism-in-the-face-of-uncertainty principle.

In this work, we formulate a new multi-task active learning setting in which the learner's goal is to solve multiple matrix completion problems simultaneously. At each round, the learner can choose from which matrix it receives a sample from an entry drawn uniformly at random. Our main practical motivation is market segmentation, where the matrices represent different regions with different preferences of the customers. The challenge in this setting is that each of the matrices can be of a different size and also of a different rank which is unknown. We provide and analyze a new algorithm, MAlocate that is able to adapt to the unknown ranks of the different matrices. We then give a lower-bound showing that our strategy is minimax-optimal and demonstrate its performance with synthetic experiments.

It is widely believed that given the same labeling budget, active learning (AL) algorithms like margin-based active learning achieve better predictive performance than passive learning (PL), albeit at a higher computational cost. Recent empirical evidence suggests that this added cost might be in vain, as margin-based AL can sometimes perform even worse than PL. While existing works offer different explanations in the low-dimensional regime, this paper shows that the underlying mechanism is entirely different in high dimensions: we prove for logistic regression that PL outperforms margin-based AL even for noiseless data and when using the Bayes optimal decision boundary for sampling. Insights from our proof indicate that this high-dimensional phenomenon is exacerbated when the separation between the classes is small. We corroborate this intuition with experiments on 20 high-dimensional datasets spanning a diverse range of applications, from finance and histology to chemistry and computer vision.

Algorithms for online learning typically require one or more boundedness assumptions: that the domain is bounded, that the losses are Lipschitz, or both. In this paper, we develop a new setting for online learning with unbounded domains and non-Lipschitz losses. For this setting we provide an algorithm which guarantees R_{T}(u)le tilde O(G|u|T+L|u|^{2}T) regret on any problem where the subgradients satisfy |g_{t}|le G+L|w_{t}|, and show that this bound is unimprovable without further assumptions. We leverage this algorithm to develop new saddle-point optimization algorithms that converge in duality gap in unbounded domains, even in the absence of meaningful curvature. Finally, we provide the first algorithm achieving non-trivial dynamic regret in an unbounded domain for non-Lipschitz losses, as well as a matching lower bound. The regret of our dynamic regret algorithm automatically improves to a novel L^{*} bound when the losses are smooth.

Learning compact discrete representations of data is a key task on its own or for facilitating subsequent processing of data. In this paper we present a model that produces Discrete InfoMax Codes (DIMCO); we learn a probabilistic encoder that yields k-way d-dimensional codes associated with input data. Our model's learning objective is to maximize the mutual information between codes and labels with a regularization, which enforces entries of a codeword to be as independent as possible. We show that the infomax principle also justifies previous loss functions (e.g., cross-entropy) as its special cases. Our analysis also shows that using shorter codes, as DIMCO does, reduces overfitting in the context of few-shot classification. Through experiments in various domains, we observe this implicit meta-regularization effect of DIMCO. Furthermore, we show that the codes learned by DIMCO are efficient in terms of both memory and retrieval time compared to previous methods.

In training neural networks, it is common practice to use partial gradients computed over batches, mostly very small subsets of the training set. This approach is motivated by the argument that such a partial gradient is close to the true one, with precision growing only with the square root of the batch size. A theoretical justification is with the help of stochastic approximation theory. However, the conditions for the validity of this theory are not satisfied in the usual learning rate schedules. Batch processing is also difficult to combine with efficient second-order optimization methods. This proposal is based on another hypothesis: the loss minimum of the training set can be expected to be well-approximated by the minima of its subsets. Such subset minima can be computed in a fraction of the time necessary for optimizing over the whole training set. This hypothesis has been tested with the help of the MNIST, CIFAR-10, and CIFAR-100 image classification benchmarks, optionally extended by training data augmentation. The experiments have confirmed that results equivalent to conventional training can be reached. In summary, even small subsets are representative if the overdetermination ratio for the given model parameter set sufficiently exceeds unity. The computing expense can be reduced to a tenth or less.

We improve the efficiency of algorithms for stochastic combinatorial semi-bandits. In most interesting problems, state-of-the-art algorithms take advantage of structural properties of rewards, such as independence. However, while being optimal in terms of asymptotic regret, these algorithms are inefficient. In our paper, we first reduce their implementation to a specific submodular maximization. Then, in case of matroid constraints, we design adapted approximation routines, thereby providing the first efficient algorithms that rely on reward structure to improve regret bound. In particular, we improve the state-of-the-art efficient gap-free regret bound by a factor m/log m, where m is the maximum action size. Finally, we show how our improvement translates to more general budgeted combinatorial semi-bandits.

This paper develops a policy learning method for tuning a pre-trained policy to adapt to additional tasks without altering the original task. A method named Adaptive Policy Gradient (APG) is proposed in this paper, which combines Bellman's principle of optimality with the policy gradient approach to improve the convergence rate. This paper provides theoretical analysis which guarantees the convergence rate and sample complexity of O(1/T) and O(1/epsilon), respectively, where T denotes the number of iterations and epsilon denotes the accuracy of the resulting stationary policy. Furthermore, several challenging numerical simulations, including cartpole, lunar lander, and robot arm, are provided to show that APG obtains similar performance compared to existing deterministic policy gradient methods while utilizing much less data and converging at a faster rate.

We consider learning in an adversarial Markov Decision Process (MDP) where the loss functions can change arbitrarily over K episodes and the state space can be arbitrarily large. We assume that the Q-function of any policy is linear in some known features, that is, a linear function approximation exists. The best existing regret upper bound for this setting (Luo et al., 2021) is of order mathcal O(K^{2/3}) (omitting all other dependencies), given access to a simulator. This paper provides two algorithms that improve the regret to mathcal O(sqrt K) in the same setting. Our first algorithm makes use of a refined analysis of the Follow-the-Regularized-Leader (FTRL) algorithm with the log-barrier regularizer. This analysis allows the loss estimators to be arbitrarily negative and might be of independent interest. Our second algorithm develops a magnitude-reduced loss estimator, further removing the polynomial dependency on the number of actions in the first algorithm and leading to the optimal regret bound (up to logarithmic terms and dependency on the horizon). Moreover, we also extend the first algorithm to simulator-free linear MDPs, which achieves mathcal O(K^{8/9}) regret and greatly improves over the best existing bound mathcal O(K^{14/15}). This algorithm relies on a better alternative to the Matrix Geometric Resampling procedure by Neu & Olkhovskaya (2020), which could again be of independent interest.

The problem of estimating an unknown discrete distribution from its samples is a fundamental tenet of statistical learning. Over the past decade, it attracted significant research effort and has been solved for a variety of divergence measures. Surprisingly, an equally important problem, estimating an unknown Markov chain from its samples, is still far from understood. We consider two problems related to the min-max risk (expected loss) of estimating an unknown k-state Markov chain from its n sequential samples: predicting the conditional distribution of the next sample with respect to the KL-divergence, and estimating the transition matrix with respect to a natural loss induced by KL or a more general f-divergence measure. For the first measure, we determine the min-max prediction risk to within a linear factor in the alphabet size, showing it is Omega(kloglog n / n) and O(k^2loglog n / n). For the second, if the transition probabilities can be arbitrarily small, then only trivial uniform risk upper bounds can be derived. We therefore consider transition probabilities that are bounded away from zero, and resolve the problem for essentially all sufficiently smooth f-divergences, including KL-, L_2-, Chi-squared, Hellinger, and Alpha-divergences.

Most prior results on differentially private stochastic gradient descent (DP-SGD) are derived under the simplistic assumption of uniform Lipschitzness, i.e., the per-sample gradients are uniformly bounded. We generalize uniform Lipschitzness by assuming that the per-sample gradients have sample-dependent upper bounds, i.e., per-sample Lipschitz constants, which themselves may be unbounded. We provide principled guidance on choosing the clip norm in DP-SGD for convex over-parameterized settings satisfying our general version of Lipschitzness when the per-sample Lipschitz constants are bounded; specifically, we recommend tuning the clip norm only till values up to the minimum per-sample Lipschitz constant. This finds application in the private training of a softmax layer on top of a deep network pre-trained on public data. We verify the efficacy of our recommendation via experiments on 8 datasets. Furthermore, we provide new convergence results for DP-SGD on convex and nonconvex functions when the Lipschitz constants are unbounded but have bounded moments, i.e., they are heavy-tailed.

We study the incentivized information acquisition problem, where a principal hires an agent to gather information on her behalf. Such a problem is modeled as a Stackelberg game between the principal and the agent, where the principal announces a scoring rule that specifies the payment, and then the agent then chooses an effort level that maximizes her own profit and reports the information. We study the online setting of such a problem from the principal's perspective, i.e., designing the optimal scoring rule by repeatedly interacting with the strategic agent. We design a provably sample efficient algorithm that tailors the UCB algorithm (Auer et al., 2002) to our model, which achieves a sublinear T^{2/3}-regret after T iterations. Our algorithm features a delicate estimation procedure for the optimal profit of the principal, and a conservative correction scheme that ensures the desired agent's actions are incentivized. Furthermore, a key feature of our regret bound is that it is independent of the number of states of the environment.

Group Relative Policy Optimization (GRPO) was introduced and used recently for promoting reasoning in LLMs under verifiable (binary) rewards. We show that the mean + variance calibration of these rewards induces a weighted contrastive loss in which the contrastive samples are synthetic data drawn from the previous policy. While GRPO was originally paired with clipping to keep updates near the old policy, we analyze variants that differ in reward normalization (mean-only vs mean + variance) and in how they regularize updates using KL divergence: either penalizing divergence from the previous model (mirror), penalizing divergence from a fixed reference model π_{ref}, or combining both forms of regularization. For each, the optimal policy π_n admits an explicit form in terms of the binary reward and the first and second order statistics of the reward under π_{n-1}, as well as the policies π_{n-1} and π_{ref}. Iterating results in a sequence {π_n} whose probability of success (PoS) obeys a simple recurrence that converges to a fixed point determined by the reference PoS and the regularization strength. We further show that this fixed point exceeds the reference, demonstrating that GRPO amplifies the policy's probability of success.

Prediction sets can wrap around any ML model to cover unknown test outcomes with a guaranteed probability. Yet, it remains unclear how to use them optimally for downstream decision-making. Here, we propose a decision-theoretic framework that seeks to minimize the expected loss (risk) against a worst-case distribution consistent with the prediction set's coverage guarantee. We first characterize the minimax optimal policy for a fixed prediction set, showing that it balances the worst-case loss inside the set with a penalty for potential losses outside the set. Building on this, we derive the optimal prediction set construction that minimizes the resulting robust risk subject to a coverage constraint. Finally, we introduce Risk-Optimal Conformal Prediction (ROCP), a practical algorithm that targets these risk-minimizing sets while maintaining finite-sample distribution-free marginal coverage. Empirical evaluations on medical diagnosis and safety-critical decision-making tasks demonstrate that ROCP reduces critical mistakes compared to baselines, particularly when out-of-set errors are costly.

The notion of omnipredictors (Gopalan, Kalai, Reingold, Sharan and Wieder ITCS 2021), suggested a new paradigm for loss minimization. Rather than learning a predictor based on a known loss function, omnipredictors can easily be post-processed to minimize any one of a rich family of loss functions compared with the loss of hypotheses in a class mathcal C. It has been shown that such omnipredictors exist and are implied (for all convex and Lipschitz loss functions) by the notion of multicalibration from the algorithmic fairness literature. In this paper, we introduce omnipredictors for constrained optimization and study their complexity and implications. The notion that we introduce allows the learner to be unaware of the loss function that will be later assigned as well as the constraints that will be later imposed, as long as the subpopulations that are used to define these constraints are known. We show how to obtain omnipredictors for constrained optimization problems, relying on appropriate variants of multicalibration. We also investigate the implications of this notion when the constraints used are so-called group fairness notions.

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.

We study the problem of learning minimax policies in zero-sum matrix games. Fiegel et al. (2025) recently showed that achieving last-iterate convergence in this setting is harder when the players are uncoupled, by proving a lower bound on the exploitability gap of Omega(t^{-1/4}). Some online mirror descent algorithms were proposed in the literature for this problem, but none have truly attained this rate yet. We show that the use of a log-barrier regularization, along with a dual-focused analysis, allows this O-tilde(t^{-1/4}) convergence with high-probability. We additionally extend our idea to the setting of extensive-form games, proving a bound with the same rate.

We consider a stochastic bandit problem with infinitely many arms. In this setting, the learner has no chance of trying all the arms even once and has to dedicate its limited number of samples only to a certain number of arms. All previous algorithms for this setting were designed for minimizing the cumulative regret of the learner. In this paper, we propose an algorithm aiming at minimizing the simple regret. As in the cumulative regret setting of infinitely many armed bandits, the rate of the simple regret will depend on a parameter β characterizing the distribution of the near-optimal arms. We prove that depending on β, our algorithm is minimax optimal either up to a multiplicative constant or up to a log(n) factor. We also provide extensions to several important cases: when β is unknown, in a natural setting where the near-optimal arms have a small variance, and in the case of unknown time horizon.

Recent advances in diffusion and flow matching models have highlighted a shift in the preferred prediction target -- moving from noise (varepsilon) and velocity (v) to direct data (x) prediction -- particularly in high-dimensional settings. However, a formal explanation of why the optimal target depends on the specific properties of the data remains elusive. In this work, we provide a theoretical framework based on a generalized prediction formulation that accommodates arbitrary output targets, of which varepsilon-, v-, and x-prediction are special cases. We derive the analytical relationship between data's geometry and the optimal prediction target, offering a rigorous justification for why x-prediction becomes superior when the ambient dimension significantly exceeds the data's intrinsic dimension. Furthermore, while our theory identifies dimensionality as the governing factor for the optimal prediction target, the intrinsic dimension of manifold-bound data is typically intractable to estimate in practice. To bridge this gap, we propose k-Diff, a framework that employs a data-driven approach to learn the optimal prediction parameter k directly from data, bypassing the need for explicit dimension estimation. Extensive experiments in both latent-space and pixel-space image generation demonstrate that k-Diff consistently outperforms fixed-target baselines across varying architectures and data scales, providing a principled and automated approach to enhancing generative performance.

A simple and effective method for the alignment of generative models is the best-of-n policy, where n samples are drawn from a base policy, and ranked based on a reward function, and the highest ranking one is selected. A commonly used analytical expression in the literature claims that the KL divergence between the best-of-n policy and the base policy is equal to log (n) - (n-1)/n. We disprove the validity of this claim, and show that it is an upper bound on the actual KL divergence. We also explore the tightness of this upper bound in different regimes. Finally, we propose a new estimator for the KL divergence and empirically show that it provides a tight approximation through a few examples.

In nonstationary bandit learning problems, the decision-maker must continually gather information and adapt their action selection as the latent state of the environment evolves. In each time period, some latent optimal action maximizes expected reward under the environment state. We view the optimal action sequence as a stochastic process, and take an information-theoretic approach to analyze attainable performance. We bound limiting per-period regret in terms of the entropy rate of the optimal action process. The bound applies to a wide array of problems studied in the literature and reflects the problem's information structure through its information-ratio.

Direct Preference Optimization (DPO) and its variants have become increasingly popular for aligning language models with human preferences. These methods aim to teach models to better distinguish between chosen (or preferred) and rejected (or dispreferred) responses. However, prior research has identified that the probability of chosen responses often decreases during training, and this phenomenon is known as likelihood displacement. To tackle this challenge, in this work we introduce \method to controllably shift the distribution of the chosen probability. Then, we show that \method exhibits a fundamental trade-off between improving the chosen probability and sacrificing the reward margin, as supported by both theoretical analysis and experimental validation. Furthermore, we demonstrate the superiority of \method over DPO on downstream tasks such as MT-Bench and a designed win rate experiment. We believe this study shows that the likelihood displacement issue of DPO can be effectively mitigated with a simple, theoretically grounded solution. Our code is available at https://github.com/Meaquadddd/DPO-Shift.

Differentially Private Stochastic Gradient Descent (DP-SGD) is the dominant paradigm for private training, but its fundamental limitations under worst-case adversarial privacy definitions remain poorly understood. We analyze DP-SGD in the f-differential privacy framework, which characterizes privacy via hypothesis-testing trade-off curves, and study shuffled sampling over a single epoch with M gradient updates. We derive an explicit suboptimal upper bound on the achievable trade-off curve. This result induces a geometric lower bound on the separation κ which is the maximum distance between the mechanism's trade-off curve and the ideal random-guessing line. Because a large separation implies significant adversarial advantage, meaningful privacy requires small κ. However, we prove that enforcing a small separation imposes a strict lower bound on the Gaussian noise multiplier σ, which directly limits the achievable utility. In particular, under the standard worst-case adversarial model, shuffled DP-SGD must satisfy σge 1{2ln M} quadorquad κge 1{8}!left(1-1{4πln M}right), and thus cannot simultaneously achieve strong privacy and high utility. Although this bound vanishes asymptotically as M to infty, the convergence is extremely slow: even for practically relevant numbers of updates the required noise magnitude remains substantial. We further show that the same limitation extends to Poisson subsampling up to constant factors. Our experiments confirm that the noise levels implied by this bound leads to significant accuracy degradation at realistic training settings, thus showing a critical bottleneck in DP-SGD under standard worst-case adversarial assumptions.

Despite recent progress in optimal hyperparameter transfer under model and dataset scaling, no unifying explanatory principle has been established. Using the Scion optimizer, we discover that joint optimal scaling across model and dataset sizes is governed by a single invariant: the operator norm of the output layer. Across models with up to 1.3B parameters trained on up to 138B tokens, the optimal learning rate/batch size pair (eta^{ast}, B^{ast}) consistently has the same operator norm value - a phenomenon we term norm transfer. This constant norm condition is necessary but not sufficient: while for each dataset size, multiple (eta, B) reach the optimal norm, only a unique (eta^{ast}, B^{ast}) achieves the best loss. As a sufficient condition, we provide the first measurement of (eta^{ast}, B^{ast}) scaling with dataset size for Scion, and find that the scaling rules are consistent with those of the Adam optimizer. Tuning per-layer-group learning rates also improves model performance, with the output layer being the most sensitive and hidden layers benefiting from lower learning rates. We provide practical insights on norm-guided optimal scaling and release our Distributed Scion (Disco) implementation with logs from over two thousand runs to support research on LLM training dynamics at scale.

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

We study bandit best-arm identification with arbitrary and potentially adversarial rewards. A simple random uniform learner obtains the optimal rate of error in the adversarial scenario. However, this type of strategy is suboptimal when the rewards are sampled stochastically. Therefore, we ask: Can we design a learner that performs optimally in both the stochastic and adversarial problems while not being aware of the nature of the rewards? First, we show that designing such a learner is impossible in general. In particular, to be robust to adversarial rewards, we can only guarantee optimal rates of error on a subset of the stochastic problems. We give a lower bound that characterizes the optimal rate in stochastic problems if the strategy is constrained to be robust to adversarial rewards. Finally, we design a simple parameter-free algorithm and show that its probability of error matches (up to log factors) the lower bound in stochastic problems, and it is also robust to adversarial ones.

We propose TAROT, a targeted data selection framework grounded in optimal transport theory. Previous targeted data selection methods primarily rely on influence-based greedy heuristics to enhance domain-specific performance. While effective on limited, unimodal data (i.e., data following a single pattern), these methods struggle as target data complexity increases. Specifically, in multimodal distributions, these heuristics fail to account for multiple inherent patterns, leading to suboptimal data selection. This work identifies two primary factors contributing to this limitation: (i) the disproportionate impact of dominant feature components in high-dimensional influence estimation, and (ii) the restrictive linear additive assumptions inherent in greedy selection strategies. To address these challenges, TAROT incorporates whitened feature distance to mitigate dominant feature bias, providing a more reliable measure of data influence. Building on this, TAROT uses whitened feature distance to quantify and minimize the optimal transport distance between the selected data and target domains. Notably, this minimization also facilitates the estimation of optimal selection ratios. We evaluate TAROT across multiple tasks, including semantic segmentation, motion prediction, and instruction tuning. Results consistently show that TAROT outperforms state-of-the-art methods, highlighting its versatility across various deep learning tasks. Code is available at https://github.com/vita-epfl/TAROT.

When fine-tuning pre-trained Large Language Models (LLMs) to align with human values and intentions, maximizing the estimated reward can lead to superior performance, but it also introduces potential risks due to deviations from the reference model's intended behavior. Most existing methods typically introduce KL divergence to constrain deviations between the trained model and the reference model; however, this may not be sufficient in certain applications that require tight risk control. In this paper, we introduce Risk-aware Direct Preference Optimization (Ra-DPO), a novel approach that incorporates risk-awareness by employing a class of nested risk measures. This approach formulates a constrained risk-aware advantage function maximization problem and then converts the Bradley-Terry model into a token-level representation. The objective function maximizes the likelihood of the policy while suppressing the deviation between a trained model and the reference model using a sequential risk ratio, thereby enhancing the model's risk-awareness. Experimental results across three open-source datasets: IMDb Dataset, Anthropic HH Dataset, and AlpacaEval, demonstrate the proposed method's superior performance in balancing alignment performance and model drift. Our code is opensourced at https://github.com/zlj123-max/Ra-DPO.

We introduce a differentiable estimator of range-partition entropy, a recent concept from computational geometry that enables algorithms to adapt to the "sortedness" of their input. While range-partition entropy provides strong guarantees in algorithm design, it has not yet been made accessible to deep learning. In this work, we (i) propose the first differentiable approximation of range-partition entropy, enabling its use as a trainable loss or regularizer; (ii) design EntropyNet, a neural module that restructures data into low-entropy forms to accelerate downstream instance-optimal algorithms; and (iii) extend this principle beyond geometry by applying entropy regularization directly to Transformer attention. Across tasks, we demonstrate that differentiable entropy improves efficiency without degrading correctness: in geometry, our method achieves up to 4.1times runtime speedups with negligible error (<0.2%); in deep learning, it induces structured attention patterns that yield 6% higher accuracy at 80% sparsity compared to L1 baselines. Our theoretical analysis provides approximation bounds for the estimator, and extensive ablations validate design choices. These results suggest that entropy-bounded computation is not only theoretically elegant but also a practical mechanism for adaptive learning, efficiency, and structured representation.

A number of different architectures and loss functions have been applied to the problem of self-supervised learning (SSL), with the goal of developing embeddings that provide the best possible pre-training for as-yet-unknown, lightly supervised downstream tasks. One of these SSL criteria is to maximize the entropy of a set of embeddings in some compact space. But the goal of maximizing the embedding entropy often depends--whether explicitly or implicitly--upon high dimensional entropy estimates, which typically perform poorly in more than a few dimensions. In this paper, we motivate an effective entropy maximization criterion (E2MC), defined in terms of easy-to-estimate, low-dimensional constraints. We demonstrate that using it to continue training an already-trained SSL model for only a handful of epochs leads to a consistent and, in some cases, significant improvement in downstream performance. We perform careful ablation studies to show that the improved performance is due to the proposed add-on criterion. We also show that continued pre-training with alternative criteria does not lead to notable improvements, and in some cases, even degrades performance.

The annealing phase is a pivotal convergence stage in LLM pre-training that ultimately determines final model quality. However, effectively selecting training data during this phase remains a key challenge. Current strategies rely on empirical heuristics, such as domain filtering or context extension, which lack a principled grounding in optimization theory. In this work, we characterize the annealing phase through the lens of the loss landscape's spectral geometry. We argue that optimal convergence requires gradient updates to satisfy heterogeneous constraints across different eigen-directions. Building on this insight, we formulate data selection as a problem of satisfying these directional constraints. To this end, we propose DiReCT (Directionally-Restrained Constrained Training), a novel framework that reformulates sample selection in the annealing stage as a constrained optimization problem. By imposing explicit directional constraints on per-sample gradients based on the spectral properties of the Hessian, DiReCT identifies samples that align with the optimal curvature-aware descent path. Extensive experiments across various model scales demonstrate that DiReCT consistently achieves state-of-the-art performance. For future research, code is available at https://github.com/xuyj233/Direct.

Simple regret is a natural and parameter-free performance criterion for pure exploration in multi-armed bandits yet is less popular than the probability of missing the best arm or an epsilon-good arm, perhaps due to lack of easy ways to characterize it. In this paper, we make significant progress on minimizing simple regret in both data-rich (Tge n) and data-poor regime (T le n) where n is the number of arms, and T is the number of samples. At its heart is our improved instance-dependent analysis of the well-known Sequential Halving (SH) algorithm, where we bound the probability of returning an arm whose mean reward is not within epsilon from the best (i.e., not epsilon-good) for any choice of epsilon>0, although epsilon is not an input to SH. Our bound not only leads to an optimal worst-case simple regret bound of n/T up to logarithmic factors but also essentially matches the instance-dependent lower bound for returning an epsilon-good arm reported by Katz-Samuels and Jamieson (2020). For the more challenging data-poor regime, we propose Bracketing SH (BSH) that enjoys the same improvement even without sampling each arm at least once. Our empirical study shows that BSH outperforms existing methods on real-world tasks.

Recently, Qiao, Duan, and Cheng~(2019) proposed a distributed nearest-neighbor classification method, in which a massive dataset is split into smaller groups, each processed with a k-nearest-neighbor classifier, and the final class label is predicted by a majority vote among these groupwise class labels. This paper shows that the distributed algorithm with k=1 over a sufficiently large number of groups attains a minimax optimal error rate up to a multiplicative logarithmic factor under some regularity conditions, for both regression and classification problems. Roughly speaking, distributed 1-nearest-neighbor rules with M groups has a performance comparable to standard Theta(M)-nearest-neighbor rules. In the analysis, alternative rules with a refined aggregation method are proposed and shown to attain exact minimax optimal rates.

We propose a simple, yet powerful regularization technique that can be used to significantly improve both the pairwise and triplet losses in learning local feature descriptors. The idea is that in order to fully utilize the expressive power of the descriptor space, good local feature descriptors should be sufficiently "spread-out" over the space. In this work, we propose a regularization term to maximize the spread in feature descriptor inspired by the property of uniform distribution. We show that the proposed regularization with triplet loss outperforms existing Euclidean distance based descriptor learning techniques by a large margin. As an extension, the proposed regularization technique can also be used to improve image-level deep feature embedding.

Existing studies on preference optimization (PO) have centered on constructing pairwise preference data following simple heuristics, such as maximizing the margin between preferred and dispreferred completions based on human (or AI) ranked scores. However, none of these heuristics has a full theoretical justification. In this work, we develop a novel PO framework that provides theoretical guidance to effectively sample dispreferred completions. To achieve this, we formulate PO as minimizing the negative log-likelihood (NLL) of a probability model and propose to estimate its normalization constant via a sampling strategy. As we will demonstrate, these estimative samples can act as dispreferred completions in PO. We then select contrastive divergence (CD) as the sampling strategy, and propose a novel MC-PO algorithm that applies the Monte Carlo (MC) kernel from CD to sample hard negatives w.r.t. the parameterized reward model. Finally, we propose the OnMC-PO algorithm, an extension of MC-PO to the online setting. On popular alignment benchmarks, MC-PO outperforms existing SOTA baselines, and OnMC-PO leads to further improvement.

Most learning algorithms with formal regret guarantees assume that no mistake is irreparable and essentially rely on trying all possible behaviors. This approach is problematic when some mistakes are catastrophic, i.e., irreparable. We propose an online learning problem where the goal is to minimize the chance of catastrophe. Specifically, we assume that the payoff in each round represents the chance of avoiding catastrophe that round and aim to maximize the product of payoffs (the overall chance of avoiding catastrophe) while allowing a limited number of queries to a mentor. We first show that in general, any algorithm either constantly queries the mentor or is nearly guaranteed to cause catastrophe. However, in settings where the mentor policy class is learnable in the standard online learning model, we provide an algorithm whose regret and rate of querying the mentor both approach 0 as the time horizon grows. Conceptually, if a policy class is learnable in the absence of catastrophic risk, it is learnable in the presence of catastrophic risk if the agent can ask for help.

In this paper, we study the role of feedback in online learning with switching costs. It has been shown that the minimax regret is Theta(T^{2/3}) under bandit feedback and improves to Theta(T) under full-information feedback, where T is the length of the time horizon. However, it remains largely unknown how the amount and type of feedback generally impact regret. To this end, we first consider the setting of bandit learning with extra observations; that is, in addition to the typical bandit feedback, the learner can freely make a total of B_{ex} extra observations. We fully characterize the minimax regret in this setting, which exhibits an interesting phase-transition phenomenon: when B_{ex} = O(T^{2/3}), the regret remains Theta(T^{2/3}), but when B_{ex} = Omega(T^{2/3}), it becomes Theta(T/B_{mathrm{ex}}), which improves as the budget B_{ex} increases. To design algorithms that can achieve the minimax regret, it is instructive to consider a more general setting where the learner has a budget of B total observations. We fully characterize the minimax regret in this setting as well and show that it is Theta(T/B), which scales smoothly with the total budget B. Furthermore, we propose a generic algorithmic framework, which enables us to design different learning algorithms that can achieve matching upper bounds for both settings based on the amount and type of feedback. One interesting finding is that while bandit feedback can still guarantee optimal regret when the budget is relatively limited, it no longer suffices to achieve optimal regret when the budget is relatively large.

Online advertising has recently grown into a highly competitive and complex multi-billion-dollar industry, with advertisers bidding for ad slots at large scales and high frequencies. This has resulted in a growing need for efficient "auto-bidding" algorithms that determine the bids for incoming queries to maximize advertisers' targets subject to their specified constraints. This work explores efficient online algorithms for a single value-maximizing advertiser under an increasingly popular constraint: Return-on-Spend (RoS). We quantify efficiency in terms of regret relative to the optimal algorithm, which knows all queries a priori. We contribute a simple online algorithm that achieves near-optimal regret in expectation while always respecting the specified RoS constraint when the input sequence of queries are i.i.d. samples from some distribution. We also integrate our results with the previous work of Balseiro, Lu, and Mirrokni [BLM20] to achieve near-optimal regret while respecting both RoS and fixed budget constraints. Our algorithm follows the primal-dual framework and uses online mirror descent (OMD) for the dual updates. However, we need to use a non-canonical setup of OMD, and therefore the classic low-regret guarantee of OMD, which is for the adversarial setting in online learning, no longer holds. Nonetheless, in our case and more generally where low-regret dynamics are applied in algorithm design, the gradients encountered by OMD can be far from adversarial but influenced by our algorithmic choices. We exploit this key insight to show our OMD setup achieves low regret in the realm of our algorithm.

Recently, the study of linear misspecified bandits has generated intriguing implications of the hardness of learning in bandits and reinforcement learning (RL). In particular, Du et al. (2020) show that even if a learner is given linear features in R^d that approximate the rewards in a bandit or RL with a uniform error of varepsilon, searching for an O(varepsilon)-optimal action requires pulling at least Omega(exp(d)) queries. Furthermore, Lattimore et al. (2020) show that a degraded O(varepsilond)-optimal solution can be learned within poly(d/varepsilon) queries. Yet it is unknown whether a structural assumption on the ground-truth parameter, such as sparsity, could break the varepsilond barrier. In this paper, we address this question by showing that algorithms can obtain O(varepsilon)-optimal actions by querying O(varepsilon^{-s}d^s) actions, where s is the sparsity parameter, removing the exp(d)-dependence. We then establish information-theoretical lower bounds, i.e., Omega(exp(s)), to show that our upper bound on sample complexity is nearly tight if one demands an error O(s^{delta}varepsilon) for 0<delta<1. For deltageq 1, we further show that poly(s/varepsilon) queries are possible when the linear features are "good" and even in general settings. These results provide a nearly complete picture of how sparsity can help in misspecified bandit learning and provide a deeper understanding of when linear features are "useful" for bandit and reinforcement learning with misspecification.

We propose the Bayes-UCBVI algorithm for reinforcement learning in tabular, stage-dependent, episodic Markov decision process: a natural extension of the Bayes-UCB algorithm by Kaufmann et al. (2012) for multi-armed bandits. Our method uses the quantile of a Q-value function posterior as upper confidence bound on the optimal Q-value function. For Bayes-UCBVI, we prove a regret bound of order O(H^3SAT) where H is the length of one episode, S is the number of states, A the number of actions, T the number of episodes, that matches the lower-bound of Ω(H^3SAT) up to poly-log terms in H,S,A,T for a large enough T. To the best of our knowledge, this is the first algorithm that obtains an optimal dependence on the horizon H (and S) without the need for an involved Bernstein-like bonus or noise. Crucial to our analysis is a new fine-grained anti-concentration bound for a weighted Dirichlet sum that can be of independent interest. We then explain how Bayes-UCBVI can be easily extended beyond the tabular setting, exhibiting a strong link between our algorithm and Bayesian bootstrap (Rubin, 1981).

Direct Preference Optimization is an offline post-SFT method for aligning language models from preference pairs, with strong results in instruction following and summarization. However, DPO's sequence-level implicit reward can be brittle for token-critical structured prediction settings such as medical annotation, which often exhibit (i) low-separation preference pairs, where chosen and rejected completions differ by minimal edit distance (often 1-3 tokens), and (ii) token-importance skew, where sparse semantic tokens (hierarchical labels and evidence Spans) carry disproportionate task importance relative to high-frequency structural tokens (JSON scaffolding). In this regime, standard DPO suffers from margin collapse (insufficient log-probability separation between near-identical preferences), likelihood squeezing (the margin objective shifts the absolute likelihoods of both completions together), and gradient dilution, where uniform sequence-level weighting diffuses learning signal across shared scaffolding while rare, confusable label tokens receive weak, noisy updates. We introduce Token-Adaptive Barrier Preference Optimization (TAB-PO), which augments DPO with token-weighted, reference-adjusted advantages that prioritize high-value semantic tokens, and a conditional token-level barrier that regularizes under-confident tokens balancing SFT-anchored likelihood and preference-driven separation in low-separation, importance-skewed regimes. We evaluate TAB-PO on medical communication annotation, a task requiring joint prediction of hierarchical labels and evidence Spans from patient-provider messages. TAB-PO achieves a ~ 4% relative improvement in micro-F1 over SFT and consistently outperforms recent preference-optimization baselines.

Counterfactual Risk Minimization (CRM) is a framework for dealing with the logged bandit feedback problem, where the goal is to improve a logging policy using offline data. In this paper, we explore the case where it is possible to deploy learned policies multiple times and acquire new data. We extend the CRM principle and its theory to this scenario, which we call "Sequential Counterfactual Risk Minimization (SCRM)." We introduce a novel counterfactual estimator and identify conditions that can improve the performance of CRM in terms of excess risk and regret rates, by using an analysis similar to restart strategies in accelerated optimization methods. We also provide an empirical evaluation of our method in both discrete and continuous action settings, and demonstrate the benefits of multiple deployments of CRM.

In Reinforcement Learning (RL), an agent acts in an unknown environment to maximize the expected cumulative discounted sum of an external reward signal, i.e., the expected return. In practice, in many tasks of interest, such as policy optimization, the agent usually spends its interaction budget by collecting episodes of fixed length within a simulator (i.e., Monte Carlo simulation). However, given the discounted nature of the RL objective, this data collection strategy might not be the best option. Indeed, the rewards taken in early simulation steps weigh exponentially more than future rewards. Taking a cue from this intuition, in this paper, we design an a-priori budget allocation strategy that leads to the collection of trajectories of different lengths, i.e., truncated. The proposed approach provably minimizes the width of the confidence intervals around the empirical estimates of the expected return of a policy. After discussing the theoretical properties of our method, we make use of our trajectory truncation mechanism to extend Policy Optimization via Importance Sampling (POIS, Metelli et al., 2018) algorithm. Finally, we conduct a numerical comparison between our algorithm and POIS: the results are consistent with our theory and show that an appropriate truncation of the trajectories can succeed in improving performance.

LLM inference often generates a batch of candidates for a prompt and selects one via strategies like majority voting or Best-of- N (BoN). For difficult tasks, this single-shot selection often underperforms. Consequently, evaluations commonly report Pass@k: the agent may submit up to k responses, and only the best of them is used when computing regret. Motivated by this, we study inference scaling in the more general Pass@k inference setting, and prove that neither majority voting nor BoN exhibits the desirable scaling with k and the sampling budget N. Combining the advantages of majority voting and BoN, we propose a new inference strategy called Best-of-Majority (BoM), with a pivotal step that restricts the candidates to the responses with high frequency in the N samples before selecting the top-k rewards. We prove that when the sampling budget is N=tildeOmega(C^*), the regret of BoM is O(epsilon_{opt}+epsilon_{mathrm{RM}^2C^*/k}), where C^* is the coverage coefficient, epsilon_{RM} is the estimation error of the reward model, and epsilon_{opt} is the estimation error of reward at the optimal response. We further establish a matching lower bound, certifying that our algorithm is minimax optimal. Beyond optimality, BoM has a key advantage: unlike majority voting and BoN, its performance does not degrade when increasing N. Experimental results of inference on math problems show BoM outperforming both majority voting and BoN.

Grokking, the sudden generalization that occurs after prolonged overfitting, is a surprising phenomenon challenging our understanding of deep learning. Although significant progress has been made in understanding grokking, the reasons behind the delayed generalization and its dependence on regularization remain unclear. In this work, we argue that without regularization, grokking tasks push models to the edge of numerical stability, introducing floating point errors in the Softmax function, which we refer to as Softmax Collapse (SC). We demonstrate that SC prevents grokking and that mitigating SC enables grokking without regularization. Investigating the root cause of SC, we find that beyond the point of overfitting, the gradients strongly align with what we call the na\"ive loss minimization (NLM) direction. This component of the gradient does not alter the model's predictions but decreases the loss by scaling the logits, typically by scaling the weights along their current direction. We show that this scaling of the logits explains the delay in generalization characteristic of grokking and eventually leads to SC, halting further learning. To validate our hypotheses, we introduce two key contributions that address the challenges in grokking tasks: StableMax, a new activation function that prevents SC and enables grokking without regularization, and perpGrad, a training algorithm that promotes quick generalization in grokking tasks by preventing NLM altogether. These contributions provide new insights into grokking, elucidating its delayed generalization, reliance on regularization, and the effectiveness of existing grokking-inducing methods. Code for this paper is available at https://github.com/LucasPrietoAl/grokking-at-the-edge-of-numerical-stability.

We address the challenge of exploration in reinforcement learning (RL) when the agent operates in an unknown environment with sparse or no rewards. In this work, we study the maximum entropy exploration problem of two different types. The first type is visitation entropy maximization previously considered by Hazan et al.(2019) in the discounted setting. For this type of exploration, we propose a game-theoretic algorithm that has mathcal{O}(H^3S^2A/varepsilon^2) sample complexity thus improving the varepsilon-dependence upon existing results, where S is a number of states, A is a number of actions, H is an episode length, and varepsilon is a desired accuracy. The second type of entropy we study is the trajectory entropy. This objective function is closely related to the entropy-regularized MDPs, and we propose a simple algorithm that has a sample complexity of order mathcal{O}(poly(S,A,H)/varepsilon). Interestingly, it is the first theoretical result in RL literature that establishes the potential statistical advantage of regularized MDPs for exploration. Finally, we apply developed regularization techniques to reduce sample complexity of visitation entropy maximization to mathcal{O}(H^2SA/varepsilon^2), yielding a statistical separation between maximum entropy exploration and reward-free exploration.

In online reinforcement learning (RL), instead of employing standard structural assumptions on Markov decision processes (MDPs), using a certain coverage condition (original from offline RL) is enough to ensure sample-efficient guarantees (Xie et al. 2023). In this work, we focus on this new direction by digging more possible and general coverage conditions, and study the potential and the utility of them in efficient online RL. We identify more concepts, including the L^p variant of concentrability, the density ratio realizability, and trade-off on the partial/rest coverage condition, that can be also beneficial to sample-efficient online RL, achieving improved regret bound. Furthermore, if exploratory offline data are used, under our coverage conditions, both statistically and computationally efficient guarantees can be achieved for online RL. Besides, even though the MDP structure is given, e.g., linear MDP, we elucidate that, good coverage conditions are still beneficial to obtain faster regret bound beyond O(T) and even a logarithmic order regret. These results provide a good justification for the usage of general coverage conditions in efficient online RL.

Policy optimization methods are powerful algorithms in Reinforcement Learning (RL) for their flexibility to deal with policy parameterization and ability to handle model misspecification. However, these methods usually suffer from slow convergence rates and poor sample complexity. Hence it is important to design provably sample efficient algorithms for policy optimization. Yet, recent advances for this problems have only been successful in tabular and linear setting, whose benign structures cannot be generalized to non-linearly parameterized policies. In this paper, we address this problem by leveraging recent advances in value-based algorithms, including bounded eluder-dimension and online sensitivity sampling, to design a low-switching sample-efficient policy optimization algorithm, LPO, with general non-linear function approximation. We show that, our algorithm obtains an varepsilon-optimal policy with only O(text{poly(d)}{varepsilon^3}) samples, where varepsilon is the suboptimality gap and d is a complexity measure of the function class approximating the policy. This drastically improves previously best-known sample bound for policy optimization algorithms, O(text{poly(d)}{varepsilon^8}). Moreover, we empirically test our theory with deep neural nets to show the benefits of the theoretical inspiration.