Regularization

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638 papers

Latest in Regularization

Dec 31, 2025math.ST

Basic Inequalities for First-Order Optimization with Applications to Statistical Risk Analysis

In this work, we introduce basic inequalities\textit{basic inequalities} for first-order iterative optimization algorithms, forming a simple yet versatile framework which connects implicit and explicit regularization. Building on related comparison inequalities for optimization iterates that already exist in the literature, we extend and unify these arguments to produce a general framework, which can be used as a tool for statistical analysis. In more detail, let ff denote the objective function to be optimized. Given a first-order iterative algorithm initialized at θ0θ_0, with current iterate θTθ_T, the basic inequality upper bounds f(θT)−f(z)f(θ_T) - f(z) for any reference point zz in terms of the accumulated step sizes, and the distances between θ0θ_0, θTθ_T, and zz. These distances are measured in a geometry inherent to the optimization algorithm, which then translates into a notion of regularization being applied across the path of iterates. In addition to refining existing results on gradient descent, we provide new results for mirror descent and other first-order methods. We then show how to use these basic inequalities to derive elementary yet useful bounds on the prediction risk of early-stopped gradient descent and exponentiated gradient descent iterates in generalized linear models. We also supplement these findings with numerical experiments.
Seunghoon Paik, Kangjie Zhou, Matus Telgarsky +1
Dec 15, 2025cs.IT

From Zipf's Law to Neural Scaling through Heaps' Law and Hilberg's Hypothesis

We inspect the deductive connection between the neural scaling law and Zipf's law -- two statements discussed in machine learning and quantitative linguistics. The neural scaling law describes how the cross entropy rate of a foundation model -- such as a large language model -- changes with respect to the amount of training tokens, parameters, and compute. By contrast, Zipf's law posits that the distribution of tokens exhibits a power law tail. Whereas similar claims have been made in more specific settings, we show that the neural scaling law is a consequence of Zipf's law under certain broad assumptions that we reveal systematically. The derivation steps are as follows: We derive Heaps' law on the vocabulary growth from Zipf's law, Hilberg's hypothesis on the entropy scaling from Heaps' law, and the neural scaling from Hilberg's hypothesis. We illustrate these inference steps by a toy example of the Santa Fe process that satisfies all four statistical laws.
Łukasz Dębowski
Dec 5, 2025cs.RO

HiMoE-VLA: Hierarchical Mixture-of-Experts for Generalist Vision-Language-Action Policies

Generalist vision--language--action (VLA) policies are typically trained on heterogeneous mixtures of robot demonstrations spanning diverse embodiments, action spaces, and observation configurations. Modeling such heterogeneity with a shared dense action module can induce negative transfer, particularly when action spaces or visual observations differ across data sources. We address this issue with HiMoE-VLA, a VLA framework built around a Hierarchical Mixture-of-Experts (HiMoE) action module. HiMoE uses Action-Space MoE layers at the input/output boundaries to specialize computation for distinct action spaces, Heterogeneity-Balancing MoE layers in neighboring layers to provide balanced capacity for residual variation in observations, scenes, and embodiments, and dense Transformer blocks in the middle to integrate shared representations. Two auxiliary objectives further guide this hierarchy: a contrastive Action-Space Regularization objective for boundary specialization and a load-balancing objective for stable expert utilization. HiMoE-VLA reaches 3.98 on CALVIN, 98.0% on LIBERO, and 75.0% and 63.7% average success on real xArm7 and ALOHA tasks; under controlled heterogeneous co-training, it turns the negative transfer observed in strong baselines into positive transfer. The code and models are publicly available at https://github.com/ZhiyingDu/HiMoE-VLA.
Zhiying Du, Bei Liu, Yaobo Liang +7
Dec 3, 2025cs.LG

Efficient Public Verification of Private ML via Regularization

Training with differential privacy (DP) guarantees dataset members that they cannot be identified by users of the released model. However, those data providers, and, in general, the public, lack methods to efficiently verify that models trained on their data satisfy DP guarantees. The amount of compute needed to verify DP guarantees for current algorithms scales with the amount of computation required to train the model. In this paper we design the first DP algorithm with near optimal privacy-utility trade-offs but whose DP guarantees can be verified cheaper than training. We focus on DP stochastic convex optimization (DP-SCO), where optimal privacy-utility trade-offs are known. Here we show we can obtain tight privacy-utility trade-offs by privately minimizing a series of regularized objectives and only using the standard DP composition bound. Crucially, this method can be verified with much less compute than training. This leads to the first known DP-SCO algorithm with near optimal privacy-utility whose DP verification scales better than training cost, significantly reducing verification costs on large datasets.
Zoë Ruha Bell, Anvith Thudi, Olive Franzese-McLaughlin +2
Nov 22, 2025cs.CV

FeRA: Frequency-Energy Constrained Routing for Effective Diffusion Adaptation Fine-Tuning

Diffusion models have achieved remarkable success in generative modeling, yet how to effectively adapt large pretrained models to new tasks remains challenging. We revisit the reconstruction behavior of diffusion models during denoising to unveil the underlying frequency energy mechanism governing this process. Building upon this observation, we propose FeRA, a frequency driven fine tuning framework that aligns parameter updates with the intrinsic frequency energy progression of diffusion. FeRA establishes a comprehensive frequency energy framework for effective diffusion adaptation fine tuning, comprising three synergistic components: (i) a compact frequency energy indicator that characterizes the latent bandwise energy distribution, (ii) a soft frequency router that adaptively fuses multiple frequency specific adapter experts, and (iii) a frequency energy consistency regularization that stabilizes diffusion optimization and ensures coherent adaptation across bands. Routing operates in both training and inference, with inference time routing dynamically determined by the latent frequency energy. It integrates seamlessly with adapter based tuning schemes and generalizes well across diffusion backbones and resolutions. By aligning adaptation with the frequency energy mechanism, FeRA provides a simple, stable, and compatible paradigm for effective and robust diffusion model adaptation.
Bo Yin, Xiaobin Hu, Xingyu Zhou +7
Nov 11, 2025eess.AS

Pruning as Regularization: Sensitivity-Aware One-Shot Pruning in ASR

We challenge the conventional view of neural network pruning as solely a compression technique, demonstrating that one-shot magnitude pruning serves as a powerful implicit regularizer for ASR. Using Whisper-small, we combine gradient- and Fisher-based sensitivity diagnostics with targeted, component-wise pruning. This reveals architectural asymmetries: decoder FFNs are pruning-fragile, whereas decoder self-attention and the last encoder layers contain redundancy that, when removed, improves generalization. Without fine-tuning, pruning 50% of decoder self-attention reduces WER by 2.38% absolute (20.44% relative) on LibriSpeech test-other; pruning the last four encoder layers at 50% instead yields a 1.72% absolute (14.8% relative) improvement. Gains persisted on Common Voice and TED-LIUM datasets. Beyond regularization benefits, our sensitivity-aware approach enables more aggressive one-shot compression. At 40% sparsity, where established global pruning approaches catastrophically fail, our method preserves near-baseline accuracy. This positions pruning as a first-class architectural design tool: knowing where to prune is as important as how much to prune.
Julian Irigoyen, Arthur Söhler, Andreas Søeborg Kirkedal
Oct 21, 2025cs.LG

Solver-Integrated Adversarial Attacking and Training of Neural Operators

Neural operators are widely used as fast surrogates for numerical PDE solvers, mapping input functions to solution functions. However, their generalizability and robustness are not yet clearly defined in the operator-learning setting, which differs from traditional adversarial robustness definitions. This paper studies the generalizability and robustness of a learned neural operator from a solver-integrated perspective, addressing the challenge that the output of a learned operator and a numerical solver tends to change in tandem under input perturbation. First, we formalize the definition of generalization and robustness through a model-solver error operator, identifying fixed-input model-solver loss as generalization metric, and norm-bounded adversarial attack loss increase and Jacobian-error function norm as robustness metric. Second, we identify the solver-integrated adversarial attack as appropriate for PDE operator learning and show why model-only or fixed-ground-truth attacks can be insufficient when the solver output also changes with the input. Third, we develop solver-integrated adversarial training methods for neural operators. Experiments on representative PDE benchmarks show that this solver-integrated adversarial training clearly improves both generalizability and robustness. Deeper solver integration yields more effective attacks, more informative samples, and more efficient training than less integrated alternatives. These results provide a general framework for robust operator training and automatic sample selection without heavy manual intervention. More broadly, the formulation applies to adversarial regression whenever a ground-truth oracle can evaluate, and ideally differentiate, the true input-output map; PDE operator learning is one such case.
Yifei Sun
Oct 6, 2025cs.CV

SSDD: Single-Step Diffusion Decoder for Efficient Image Tokenization

Tokenizers are a key component of state-of-the-art generative image models, extracting the most important features from the signal while reducing data dimension and redundancy. Most current tokenizers are based on KL-regularized variational autoencoders (KL-VAE), trained with reconstruction, perceptual and adversarial losses. Diffusion decoders have been proposed as a more principled alternative to model the distribution over images conditioned on the latent. However, matching the performance of KL-VAE still requires adversarial losses, as well as a higher decoding time due to iterative sampling. To address these limitations, we introduce a new pixel diffusion decoder architecture for improved scaling and training stability, benefiting from transformer components and GAN-free training. We use distillation to replicate the performance of the diffusion decoder in an efficient single-step decoder. This makes SSDD the first diffusion decoder optimized for single-step reconstruction trained without adversarial losses, reaching higher reconstruction quality and faster sampling than KL-VAE. In particular, SSDD improves reconstruction FID from 0.870.87 to 0.460.46 with 1.4×1.4\times higher throughput and preserve generation quality of DiTs with 3.8×3.8\times faster sampling. As such, SSDD can be used as a drop-in replacement for KL-VAE, and for building higher-quality and faster generative models.
Théophane Vallaeys, Jakob Verbeek, Matthieu Cord
Sep 18, 2025eess.IV

Breaking the Weak Recovery Limit in Random Phase Retrieval with Learned Regularizers

We seek to recover an unknown signal from nonlinear amplitude-only measurements, a challenging inverse problem. Strong theoretical guarantees have been established for idealized random measurements, defining the sampling ratio required for signal recovery. However, these results neglect signal priors, which can fundamentally shift these limits, potentially enabling reconstruction with far fewer measurements and simpler models. We evaluate a variety of image priors in the context of severe undersampling with physically-grounded random measurement models. Our results show that these priors enable accurate recovery well below the weak recovery limit, the theoretical threshold required for recovery better than a random guess.
Stanislas Ducotterd, Zhiyuan Hu, Michael Unser +1
Sep 3, 2025stat.ML

Understanding and Improving Shampoo and SOAP via Kullback-Leibler Minimization

Shampoo and its efficient variant, SOAP, employ structured second-moment estimations and have shown strong performance for training neural networks (NNs). In practice, however, Shampoo typically requires step-size grafting with Adam to be competitive, and SOAP mitigates this by applying Adam in Shampoo's eigenbasis -- at the cost of additional memory overhead from Adam in both methods. Prior analyses have largely relied on the Frobenius norm to motivate these estimation schemes. We instead recast their estimation procedures as covariance estimation under Kullback-Leibler (KL) divergence minimization, revealing a previously overlooked theoretical limitation and motivating principled redesigns. Building on this perspective, we develop KL-Shampoo\textbf{KL-Shampoo} and KL-SOAP\textbf{KL-SOAP}, practical schemes that match or exceed the performance of Shampoo and SOAP in NN pre-training while achieving SOAP-level per-iteration runtime. Notably, KL-Shampoo does not rely on Adam to attain competitive performance, eliminating the memory overhead introduced by Adam. Across our experiments, KL-Shampoo consistently outperforms SOAP, Shampoo, and even KL-SOAP, establishing the KL-based approach as a promising foundation for designing structured methods in NN optimization. An implementation of KL-Shampoo/KL-SOAP is available at https://github.com/yorkerlin/KL-Methods
Wu Lin, Scott C. Lowe, Felix Dangel +3
Aug 16, 2025cs.LG

FAIRVAR: Fair Federated Learning via Variance Regularization

Federated learning (FL) allows collaborative training of machine learning models across multiple parties without sharing raw data. However, heterogeneous data can cause some clients to have disproportionate influence on the global model, leading to disparities in their performance. Fairness, understood as reducing these disparities, is therefore a crucial concern in FL and has been addressed in various ways. We studied performance equitable fairness in FL, where the goal is to minimize performance disparities across clients. We evaluated several existing fairness-aware methods and introduce here a new gradient-variance-regularized method, implemented in two variants: FairGrad (approximate) and FairGrad* (exact). We theoretically characterize the connections between these methods and, empirically, on heterogeneous benchmarks, show that FairGrad and FairGrad* consistently improve fairness by reducing variance in client accuracies, while maintaining competitive or improved mean performance compared to existing fairness-aware baselines.
Zahra Kharaghani, Ali Dadras, Tommy Löfstedt
Aug 3, 2025cs.LG

Imbalance-Robust and Sampling-Efficient Continuous Conditional GANs via Adaptive Vicinal Learning and Auxiliary Regularization

Recent advances in continuous conditional generative modeling, including Continuous conditional Generative Adversarial Network (CcGAN) and Continuous Conditional Diffusion Model (CCDM), estimate high-dimensional data distributions conditioned on scalar regression labels such as angles, ages, or temperatures. However, fixed-size vicinal training in CcGAN can be sensitive to non-uniform label densities, whereas CCDM relies on computationally expensive iterative sampling. To address these issues, we propose CcGAN-AVAR, an imbalance-aware extension of CcGAN that combines soft/hybrid adaptive vicinity with auxiliary discriminator-guided regularization. The adaptive vicinity constructs a label-dependent local radius according to the available samples around each target condition, and the multi-task discriminator supplies both a regression signal for label consistency and a density-ratio-estimation signal for distribution matching. We further provide a theoretical interpretation characterizing how adaptive vicinal weighting affects the local bias-variance behavior of the discriminator target, how hybrid truncation reduces objective-level cross-condition mixing, and how the density-ratio-based generator penalty approximates a Pearson Chi-square discrepancy up to the estimation error of the density-ratio branch. Extensive experiments on four datasets, including the newly constructed imbalanced RC-49-I, covering resolutions from 64x64 to 256x256 across eleven settings, demonstrate that CcGAN-AVAR obtains strong generation quality and label consistency while preserving the one-step sampling efficiency of GANs, achieving 300x--2000x faster inference than CCDM.
Xin Ding, Yun Chen, Yongwei Wang +4
Jul 14, 2025cs.CL

GeLaCo: An Evolutionary Approach to Layer Compression

Large Language Models have achieved remarkable performance across a large number of tasks, but face critical deployment and usage barriers due to substantial computational requirements. Model compression methods, which aim to reduce model size while preserving its capacity, are an important means to mitigate these issues. Promising approaches along these lines, such as structured pruning, typically require costly manual hyperparameter exploration or rely on local heuristics that may run the risk of ignoring better solutions. In this work we introduce GeLaCo, an evolutionary approach to LLM compression via layer collapse. Our approach supports an efficient exploration of the compression solution space via population-based search and a novel layer collapse formulation based on parametrized weight merging, with a fitness function based on similarity over residual updates and language modeling KL divergence. GeLaCo also supports both single and multi-objective evolutionary compression search, establishing the first Pareto front estimation along compression and quality axes. We evaluate GeLaCo solutions via both perplexity-based and generative evaluations over foundational and instruction-tuned models, outperforming state-of-the-art alternatives.
David Ponce, Thierry Etchegoyhen, Javier Del Ser
Jul 14, 2025cs.LG

Stabilizing Black-Box Prompt Optimization with Textual Regularization and Signal Aggregation

An increasing number of NLP applications interact with large language models (LLMs) through black-box APIs, making prompt engineering critical for controlling model behavior. Recent Automatic Prompt Optimization (APO) methods iteratively refine prompts using model-generated critiques (often called textual gradients), but they predominantly optimize from failures and underutilize information contained in correct predictions, leading to instability and semantic drift. We propose TRAS (Textual Regularization with Aggregated Signals), a feedback-centric framework that is plug-and-play with existing APO search backbones. It retains the standard textual gradient signal from prior work for error correction and introduces a complementary textual regularizer derived from successful predictions to preserve beneficial prompt components. Because both signals are stochastic and can be noisy, we further introduce Monte Carlo Signal Aggregation (MCSA), which samples multiple gradients or regularizers and aggregates them into a single actionable directive, emphasizing consistent, actionable advice while filtering out outliers. Motivated by rapid model churn, we also formalize Automatic Prompt Migration (APM), the practical problem of adapting an expert prompt across model versions or API providers without losing critical instructions. Across standard APO and APM scenarios, our approach consistently outperforms strong baselines, yielding higher accuracy, faster convergence, and lower query cost, while substantially reducing the degradation observed under naive prompt migration.
MohammadReza Davari, Utkarsh Garg, Weixin Cai +1
Jun 26, 2025stat.ML

Spherical Cauchy Variational Autoencoders: Heavy Angular Tails and Exact KL Evaluation

Heavy-tailed posteriors are routine in Euclidean variational autoencoders, where the Student family relaxes the Gaussian without new machinery. The sphere has had no comparable option. Von Mises-Fisher distribution needs modified Bessel functions and a rejection sampler, and Power Spherical buys its closed forms by forcing the density to vanish at the antipode. We develop the spherical Cauchy distribution as a hyperspherical posterior that needs neither compromise. Stereographic projection carries it to a multivariate Student law, and a Möbius transformation turns a uniform spherical draw into an exact posterior sample from inner products, norms, and scalar arithmetic. The same transformation settles the regularizer. Evaluating the density along the sampling map reduces the Kullback-Leibler (KL) divergence to the uniform prior to a scalar expectation whose expansion terminates in every even ambient dimension, leaving one logarithm and a polynomial with finitely many correction terms. Odd dimensions admit certified truncation of value and gradient, the KL is increasing and convex in concentration, and the same function gives the pairwise KL. At matched modal curvature it has broader angular tails and a smaller KL penalty than both alternatives, so equal local precision costs less regularization. In dimension 128 the fused evaluator runs 1.5 times faster per latent-layer step than Power Spherical and 4.2 times faster than robust von Mises-Fisher on CPU, with factors of 1.6 and 5.4 on CUDA. Across five paired seeds it attains the lowest MNIST reconstruction loss at every tested dimension and lowers held-out viewpoint-gap negative log-likelihood on smallNORB by 3.6 percent.
Lukas Sablica, Kurt Hornik
Jun 20, 2025cs.LG

Discrete Compositional Generation via General Soft Operators and Robust Reinforcement Learning

A major bottleneck in scientific discovery consists of narrowing an exponentially large set of objects, such as proteins or molecules, to a small set of promising candidates with desirable properties. While this process can rely on expert knowledge, recent methods leverage reinforcement learning (RL) guided by a proxy reward function to enable this filtering. By employing various forms of entropy regularization, these methods aim to learn samplers that generate diverse candidates that are highly rated by the proxy function. In this work, we make two main contributions. First, we show that these methods are liable to generate overly diverse, suboptimal candidates in large search spaces. To address this issue, we introduce a novel unified operator that combines several regularized RL operators into a general framework that better targets peakier sampling distributions. Secondly, we offer a novel, robust RL perspective of this filtering process. The regularization can be interpreted as robustness to a compositional form of uncertainty in the proxy function (i.e., the true evaluation of a candidate differs from the proxy's evaluation). Our analysis leads us to a novel, easy-to-use algorithm we name trajectory general mellowmax (TGM): we show it identifies higher quality, diverse candidates than baselines in both synthetic and real-world tasks. Code: https://github.com/marcojira/tgm.
Marco Jiralerspong, Esther Derman, Danilo Vucetic +5
Jun 13, 2025cs.LG

The Effect of Stochasticity in Score-Based Diffusion Sampling: a KL Divergence Analysis

Sampling in score-based diffusion models can be performed by solving either a reverse-time stochastic differential equation (SDE) parameterized by an arbitrary stochasticity function or a probability flow ODE, corresponding to setting this stochasticity function to zero. In this work, we investigate the effect of this stochasticity on the generation process through the evolution of Kullback-Leibler (KL) divergences, obtaining general KL divergence bounds and a novel analysis of the impact of the time-profile of the score error on model performance. For exact score functions, stochasticity has a contractive effect, decreasing KL divergence along the sampling trajectory. For approximate scores, however, a trade-off arises between correcting accumulated errors and amplifying current score errors, meaning stochasticity can either improve or degrade generation performance. Theoretical considerations indicate that the gain from stochasticity depends on the time-localization of the trained model error. We test this in experiments on both toy and benchmark data sets, also comparing the KL divergence evolution with the obtained bounds. We also present a fully analytical example, where all the relevant quantities can be computed, and the optimal stochasticity function can be characterized via an optimal control analysis.
Bernardo P. Schaeffer, Ricardo M. S. Rosa, Glauco Valle
May 29, 2025math.NA

A Jump-Diffusion Framework for Irregular Time Series Generation

We propose a framework for generative modeling of continuous-time processes from irregularly and asynchronously recorded data. It is based on the matching of generators and accommodates discontinuous trajectories. Analytical formulas for diffusion and jump bridges yield a family of reference generators that a neural network is trained to match. The key ingredient is that, for our constructed jump bridge, a parametrization of the jump kernel densities by scaled Gaussians admits closed-form expressions for the Kullback-Leibler divergence, allowing simulation-free training.
O. Pfohl, J. Chemseddine, P. Hagemann +3
May 29, 2025cs.LG

EquiReg: Equivariance Regularized Diffusion for Inverse Problems

Diffusion models represent the state-of-the-art for solving inverse problems such as image restoration tasks. Diffusion-based inverse solvers incorporate a likelihood term to guide prior sampling, generating data consistent with the posterior distribution. However, due to the intractability of the likelihood, most methods rely on isotropic Gaussian approximations, which can push estimates off the data manifold and produce inconsistent, poor reconstructions. We propose Equivariance Regularized (EquiReg) diffusion, a general plug-in framework that improves posterior sampling by penalizing trajectories that deviate from the data manifold. EquiReg formalizes manifold-preferential equivariant functions that exhibit low equivariance error for on-manifold samples and high error for off-manifold ones, thereby guiding sampling toward symmetry-preserving regions of the solution space. We highlight that such functions naturally emerge when training non-equivariant models with augmentation or on data with symmetries. EquiReg's largest gains are under reduced sampling and measurement consistency steps, where many methods suffer severe quality degradation. By regularizing trajectories toward the manifold, EquiReg implicitly accelerates convergence and enables high-quality reconstructions. EquiReg consistently improves performance in linear and nonlinear image restoration tasks and solving partial differential equations. Our code is available at https://github.com/Anima-Lab/EquiReg
Bahareh Tolooshams, Aditi Chandrashekar, Rayhan Zirvi +4
May 21, 2025cs.AI

When Can Large Reasoning Models Save Thinking? Mechanistic Analysis of Behavioral Divergence in Reasoning

Large reasoning models (LRMs) have achieved remarkable success on complex tasks, yet their tendency to "overthink" leads to inefficiencies. Although "save-thinking" prompts are intended to mitigate this issue, we find that LRMs still frequently enter the "Still-thinking" mode instead of the expected "No-thinking" mode, especially on difficult queries. To analyze this behavioral divergence, we examine LRMs from three perspectives: confidence at the thinking-termination boundary, divergence in internal attention distributions, and attention allocation across prompt segments. We find that high perplexity is associated with later Still-thinking behavior, and that Still-thinking cases allocate more attention to the original question. Based on these observations, we propose an attention intervention method to regulate this behavior. While this intervention suppresses explicit thinking, it also causes a drop in accuracy, suggesting that the suppressed reasoning behavior is often useful for correctness. Our work provides confidence- and attention-level evidence for this behavior, highlighting the trade-off between instruction following, inference efficiency, and reasoning correctness.
Rongzhi Zhu, Yi Liu, Jiancheng Wang +6
Mar 3, 2025cs.LG

Path Regularization: A Near-Complete and Optimal Nonasymptotic Generalization Theory for Multilayer Neural Networks and Double Descent Phenomenon

Path regularization has shown to be a very effective regularization to train neural networks, leading to a better generalization property than common regularizations i.e. weight decay, etc. We propose a first near-complete (as will be made explicit in the main text) nonasymptotic generalization theory for multilayer neural networks with path regularizations for general learning problems. In particular, it does not require the boundedness of the loss function, as is commonly assumed in the literature. Our theory goes beyond the bias-variance tradeoff and aligns with phenomena typically encountered in deep learning. It is therefore sharply different from other existing nonasymptotic generalization error bounds. More explicitly, we propose an explicit generalization error upper bound for multilayer neural networks with σ(0)=0σ(0)=0 and sufficiently broad Lipschitz loss functions, without requiring the width, depth, or other hyperparameters of the neural network to approach infinity, a specific neural network architecture (e.g., sparsity), or boundedness of the loss function, while also taking approximation error into consideration. In particular, we solve an open problem proposed by Weinan E et. al. in 2020 regarding the approximation rates in generalized Barron spaces. Furthermore, we show the near-minimax optimality of our theory for regression problems with ReLU activations. Notably, our upper bound exhibits the famous double descent phenomenon for such networks, which is the most distinguished characteristic compared with other existing results. Our subsequent work will prove the matching lower bounds in the minimax sense, meaning that it is highly possible that our theory reveals the true underlying mechanism of the double descent phenomenon. We can also explain scaling law from this theory.
Hao Yu
Feb 21, 2025math.ST

Optimal and Provable Calibration in High-Dimensional Binary Classification: Angular Calibration and Platt Scaling

We study the fundamental problem of calibrating a linear binary classifier of the form σ(w^⊤x)σ(\hat{w}^\top x), where the feature vector xx is Gaussian, σσ is a link function, and w^\hat{w} is an estimator of the true linear weight w⋆w^\star. By interpolating with a noninformative chance classifier\textit{chance classifier}, we construct a well-calibrated predictor whose interpolation weight depends on the angle ∠(w^,w⋆)\angle(\hat{w}, w_\star) between the estimator w^\hat{w} and the true linear weight w⋆w_\star. We establish that this angular calibration approach is provably well-calibrated in a high-dimensional regime where the number of samples and features both diverge, at a comparable rate. The angle ∠(w^,w⋆)\angle(\hat{w}, w_\star) can be consistently estimated. Furthermore, the resulting predictor is uniquely Bregman-optimal\textit{Bregman-optimal}, minimizing the Bregman divergence to the true label distribution within a suitable class of calibrated predictors. Our work is the first to provide a calibration strategy that satisfies both calibration and optimality properties provably in high dimensions. Additionally, we identify conditions under which a classical Platt-scaling predictor converges to our Bregman-optimal calibrated solution. Thus, Platt-scaling also inherits these desirable properties provably in high dimensions.
Yufan Li, Pragya Sur
Feb 11, 2025stat.ML

Generalization Bounds for Markov Algorithms through Entropy Flow Computations

Many learning algorithms can be represented as Markov processes, and understanding their generalization error is a central topic in learning theory. For specific continuous-time noisy algorithms, a prominent analysis technique relies on information-theoretic tools and the so-called ``entropy flow'' method. This technique is compatible with a broad range of assumptions and leverages the convergence properties of learning dynamics to produce meaningful generalization bounds, which can also be informative or extend to discrete-time settings. Despite their success, existing entropy flow formulations are limited to specific noise and algorithm structures (\eg, Langevin dynamics). In this work, we exploit new technical tools to extend its applicability to all learning algorithms whose iterative dynamics is governed by a time-homogeneous Markov process. Our approach builds on a principled continuous-time approximation of Markov algorithms and introduces a new, exact entropy flow formula for such processes. Within this unified framework, we establish novel connections to a well-studied family of modified logarithmic Sobolev inequalities, which we use to connect the generalization error to the ergodic properties of Markov processes. Finally, we provide a detailed analysis of all the terms appearing in our theory and demonstrate its effectiveness by deriving new generalization bounds for several concrete algorithms.
Benjamin Dupuis, Maxime Haddouche, George Deligiannidis +1
Feb 8, 2025cs.LG

Machine Unlearning via Information Theoretic Regularization

How can we effectively remove or ``unlearn'' undesirable information, such as specific features or the influence of individual data points, from a learning outcome while minimizing utility loss and ensuring rigorous guarantees? We introduce a unified mathematical framework based on information-theoretic regularization to address both data-point unlearning and feature unlearning. For data-point unlearning, we introduce the \emph{Marginal Unlearning Principle}, an auditable and provable framework. Moreover, we provide an information-theoretic unlearning definition based on the proposed principle and provable guarantees on sufficiency and necessity of marginal unlearning. We then show that the proposed framework provides a natural solution to the marginal unlearning problem and yields auditable high-probability marginal-unlearning guarantees. For feature unlearning, the framework applies to deep learning with flexible training objectives. By combining flexibility in learning objectives with simplicity in regularization design, our approach is highly adaptable and practical for a wide range of machine learning and AI applications. From a mathematical perspective, we provide a unified analytic solution to the optimal feature unlearning problem with a variety of information-theoretic training objectives. Our theoretical analysis reveals intriguing connections between machine unlearning, information theory, optimal transport, and extremal sigma algebras. Numerical simulations support our theoretical findings.
Shizhou Xu, Thomas Strohmer
Feb 1, 2025math.OC

On the Relationship Between CoCoA and ADMM for Distributed Empirical Risk Minimization

Distributed empirical risk minimization (ERM) is often studied through two influential yet seemingly separate families of methods: CoCoA-type algorithms, derived from distributed dual coordinate ascent, and ADMM-type algorithms, derived from consensus and proximal splitting. In this paper, we investigate the connection of the two types of algorithms from a unified primal-dual perspective. We show that consensus ADMM, linearized consensus ADMM, two distributed proximal ADMM variants, and ridge-regularized CoCoA can all be written in a common update form involving a global primal variable and block dual variables. This reformulation makes several previously hidden connections explicit: For ridge-regularized ERM, CoCoA coincides with a particular proximal ADMM scheme at the level of the dual update. Moreover, consensus ADMM on the primal problem is equivalent to proximal ADMM on the dual problem under an explicit parameter mapping together with a sign reversal of the saddle objective; similar correspondences also hold for the linearized variants. These results indicates that the ADMM-type algorithms, when fine tuned, performs at least as good as CoCoA, under ridge regularized ERM problems. The unified view also yields a natural primal-dual gap stopping criterion for consensus ADMM and a unified O(1/T)O(1/T) ergodic convergence analysis for the ADMM-type methods. Experiments on synthetic regression problems and real SVM datasets support the predicted relationships, clarify the role of tuning parameters, and show that suitably tuned ADMM variants can outperform CoCoA in the ridge-regularized setting.
Runxiong Wu, Andi Wang
Jan 18, 2025stat.ML

Fixed-Gaussian Spectral Algorithms: Minimax Optimal Rates for Misspecified Learning and Transfer

The principal objective of this work is twofold within nonparametric regression settings: (1) to establish the minimax optimal convergence rates for fixed-bandwidth Gaussian kernel spectral algorithms when the true regression function resides in a Sobolev space, and (2) to apply Gaussian spectral algorithms for achieving robust and adaptive transfer learning under concept shift. While minimax optimality of misspecified spectral algorithms has been established, existing guarantees are typically restricted to the non-saturation regime. We demonstrate that the infinite smoothness of fixed-bandwidth Gaussian kernels provides universal robustness to model misspecification by showing that this kernel choice enables any spectral algorithm to attain minimax optimal rates, provided the regularization parameter decays exponentially. This result effectively decouples optimality from the algorithm's inherent qualification. Building on this, we then advocate Gaussian spectral algorithms as powerful components in a learning framework for robust and adaptive transfer. Specifically, we derive the adaptive convergence rate of the excess risk for this framework and show that the rates are optimal up to logarithmic factors. Our results also reveal the impact of the magnitude of the concept shift and the sample size on the generalization error.
Haotian Lin, Matthew Reimherr
Oct 31, 2024stat.ML

Inclusive KL Gradient Flows: Otto-Wasserstein, Fisher-Rao-Gaussian, and Local-Estimator Dynamics

Otto's Wasserstein gradient flow of the inclusive (forward) Kullback--Leibler (KL) divergence offers a principled framework for analyzing statistical inference algorithms, yet algorithms targeting the exclusive (reverse) KL divergence are rarely studied with such tools. We establish a unified gradient-flow and PDF framework for inclusive KL inference. We show that maximum mean discrepancy minimization can be viewed as inclusive KL inference with an approximate gradient estimator, and we develop the Fisher--Rao and Wasserstein--Fisher--Rao gradient flows that directly target the inclusive KL divergence. Restricting these flows to the manifold of Gaussian distributions yields explicit gradient-flow ODEs, providing a foundation for Gaussian variational inference. Building on this viewpoint, we further introduce a local-estimator Wasserstein gradient flow whose velocity is obtained by local nonparametric regression, free of density-ratio evaluation or kernel gradients, improving the algorithmic performance over the MMD-based particle method.
Jia-Jie Zhu
Oct 2, 2024stat.ML

Robustness and Structure Preservation in Flow-Based Generative Models via Wasserstein Path-Space Divergences

We introduce a novel Wasserstein-1 (W1W_1) path-space divergence for stochastic and deterministic dynamics and establish a Wasserstein Uncertainty Propagation (WUP) theorem that bounds the W1W_1 distance between terminal distributions by the proposed divergence, equivalently characterized by a weighted L2L^2 discrepancy between the underlying drifts and the W1W_1 distance between their initial measures. A key ingredient is a probabilistic framework combining adjoint Feynman-Kac representations with synchronous coupling (and reflection coupling on bounded domains), yielding Wasserstein stability estimates beyond existing PDE- and Girsanov-based approaches. The framework accommodates time-varying and possibly degenerate diffusion coefficients, empirical and singular measures, and remains valid in the deterministic limit of flow matching. Unlike KL-based uncertainty quantification bounds, it does not require absolute continuity of path measures and therefore remains well-defined in singular settings. As consequences of the WUP theorem, we derive W1W_1 robustness and generalization bounds for score-based generative models and flow matching at both population and finite-sample levels. We further specialize the framework to group-symmetric targets, providing the first error analysis of equivariant flow-based models and the first quantitative comparison between data augmentation and equivariant inductive bias. Our analysis identifies a symmetry-aware Wasserstein path-space divergence that quantifies the model-form error induced by non-equivariant parametrizations. We prove that this error cannot be removed by additional data or training and vanishes only under equivariant architectures, establishing a precise theoretical advantage of equivariant inductive bias over data augmentation. Numerical experiments on group-symmetric Gaussian mixtures corroborate the theory.
Ziyu Chen, Markos A. Katsoulakis, Benjamin J. Zhang
Jun 6, 2024cs.LG

On Regularization via Early Stopping for Least Squares Regression

A fundamental problem in machine learning is understanding the effect of early stopping on the parameters obtained and the generalization capabilities of the model. Even for linear models, the effect is not fully understood for arbitrary learning rates and data. In this paper, we analyze the dynamics of discrete full batch gradient descent for linear regression. With minimal distributional assumptions, we characterize the trajectory of the parameters and the expected excess risk. Using this characterization, we show that when training with any learning rate schedule and finite time horizon, the early stopped solution is equivalent to the minimum norm solution for a generalized ridge regression problem. We also prove that early stopping is beneficial for generic data with arbitrary spectrum and for a wide variety of learning rate schedules. We provide an estimate for the optimal stopping time and empirically demonstrate the accuracy of our estimate.
Rishi Sonthalia, Jackie Lok, Elizaveta Rebrova
Mar 7, 2024cs.LG

Branch Scaling Manifests as Implicit Architectural Regularization for Improving Generalization in Overparameterized ResNets

Scaling factors in residual branches have emerged as a prevalent method for boosting neural network performance, especially in normalization-free architectures. While prior work has primarily examined scaling effects from an optimization perspective, this paper investigates their role in residual architectures through the lens of generalization theory. Specifically, we establish that wide residual networks (ResNets) with constant scaling factors become asymptotically unlearnable as depth increases. In contrast, when the scaling factor exhibits rapid depth-wise decay combined with early stopping, over-parameterized ResNets achieve minimax-optimal generalization rates. To establish this, we demonstrate that the generalization capability of wide ResNets can be approximated by kernel regression associated with the Neural Tangent Kernel (NTK). Our theoretical findings are validated through experiments on synthetic data and real-world classification tasks, including MNIST and CIFAR-100.
Zixiong Yu, Guhan Chen, Jianfa Lai +2
Dec 9, 2023cs.CV

SAR image segmentation algorithms based on I-divergence-TV model

In this paper, we propose a novel variational active contour model based on I-divergence-TV model to segment Synthetic aperture radar (SAR) images with multiplicative gamma noise, which hybrides edge-based model with region-based model. The proposed model can efficiently stop the contours at weak or blurred edges, and can automatically detect the exterior and interior boundaries of images. We further transform the proposed model into a general ROF model by adding a proximity term ,and it can be solved by a fast denoising algorithm proposed by Jia-Zhao or soved by BM3D and NLM denoising algorithm, which also provide a unified solution framework for formally generalized-ROF-like subproblems arising in multivariate splitting algorithms[25]. [25] was submitted on 29-Aug-2013, and our early edition was ever submitted to TGRS on 12-Jun-2012, Venkatakrishnan et al. [26] proposed their PnP algorithm on 29-May-2013, so Venkatakrishnan and we proposed the PnP algorithm almost simultaneously.
Guangming Liu
Jan 10, 2020eess.SP

Time-Varying Graph Learning with Constraints on Graph Temporal Variation

We propose a novel framework for learning time-varying graphs from spatiotemporal measurements. Given an appropriate prior on the temporal behavior of signals, our proposed method can estimate time-varying graphs from a small number of available measurements. To achieve this, we introduce three regularization terms in convex optimization problems that constrain the sparseness of temporal variations of the time-varying networks. Moreover, a computationally scalable algorithm is introduced to solve the optimization problem efficiently. The experimental results with synthetic and real datasets (point cloud, temperature, and EEG data) demonstrate that our proposed method outperforms state-of-the-art methods.
Haruki Yokota, Koki Yamada, Yuichi Tanaka +1
Date pendingcs.CV

Confidence-Calibrating Regularization for Robust Brain MRI Segmentation Under Domain Shift

The Segment Anything Model (SAM) exhibits strong zero-shot performance on natural images but suffers from domain shift and overconfidence when applied to medical volumes. We propose \textbf{CalSAM}, a lightweight adaptation framework that (i) reduces encoder sensitivity to domain shift via a \emph{Feature Fisher Information Penalty} (FIP) computed on 3D feature maps and (ii) penalizes overconfident voxel-wise errors through a \emph{Confidence Misalignment Penalty} (CMP). The combined loss, LCalSAM\mathcal{L}_{\mathrm{CalSAM}} fine-tunes only the mask decoder while keeping SAM's encoders frozen. On cross-center and scanner-shift evaluations, CalSAM substantially improves accuracy and calibration: e.g., on the BraTS scanner split (Siemens→\toGE) CalSAM shows a +7.4%+7.4\% relative improvement in DSC\mathrm{DSC} (80.1% vs.\ 74.6%), a −26.9%-26.9\% reduction in HD95\mathrm{HD95} (4.6 mm vs.\ 6.3 mm), and a −39.5%-39.5\% reduction in ECE\mathrm{ECE} (5.2% vs.\ 8.6%). On ATLAS-C (motion corruptions), CalSAM achieves a +5.3%+5.3\% relative improvement in DSC\mathrm{DSC} (75.9%) and a −32.6%-32.6\% reduction in ECE\mathrm{ECE} (5.8%). Ablations show FIP and CMP contribute complementary gains (p<0.01p<0.01), and the Fisher penalty incurs a modest ∼\sim15% training-time overhead. CalSAM therefore delivers improved domain generalization and better-calibrated uncertainty estimates for brain MRI segmentation, while retaining the computational benefits of freezing SAM's encoder.
Behraj Khan, Tahir Qasim Syed, Syed Ahmad Chan Bukhari
Date pendingcs.LG

Accuracy is Not Enough: A Divergence-Based Approach to Evaluate Fidelity Loss in Quantized LLMs

Deployment of Large Language Models (LLMs) on memory-constrained edge devices relies heavily on aggressive post-training quantization. However, evaluating these models is largely based on zero-shot task accuracy, which depends solely on argmax predictions and is insensitive to changes in the underlying predictive distribution. Consequently, accuracy can exhibit unstable, non-monotonic behavior under progressive quantization, masking substantial fidelity loss relative to the BFloat16 (BF16) uncompressed base model and providing misleading deployment signals. We introduce a distribution-sensitive evaluation framework quantifying information loss in quantized LLMs as the divergence between full-vocabulary predictive distributions at the token decision boundary. We compute statistical distances, including Jensen-Shannon Divergence and Total Variation Distance, between outputs of full-precision and quantized models, enabling a fine-grained analysis of distributional shift. Using this framework, we quantify probability mass displacement and distributional drift relative to the BF16 reference, capturing predictive distribution changes not reflected in top-1 accuracy. We conduct a 120-run experimental matrix across five foundation architectures and four reasoning benchmarks under progressive quantization regimes, from uncompressed BF16 to Q2_K, providing a systematic fidelity analysis. Our results show divergence metrics generally increase under stronger quantization, complementing task accuracy with a fidelity signal. Across tested llama-cpp schemes, mixed-precision Q4_K generally yields lower divergence than uniform Q4_0 at similar memory footprints. These findings motivate distribution-aware evaluation as a practical diagnostic complement to task accuracy; they do not directly establish correctness, calibration, safety, or user-perceived quality.
Shahzeb Qamar, Lorenz Sparrenberg, Christian Bauckhage +5
Date pendingcs.LG

Generalization Guarantees on Data-Driven Tuning of Gradient Descent with Langevin Updates

We study learning to learn through the lens of hyperparameter tuning. We propose the Langevin Gradient Descent Algorithm (LGD), which approximates the mean of the posterior distribution defined by the loss function and regularizer of a regression task with convex objective. For classification tasks, the LGD algorithm estimates the posterior probabilities of each class on the test set. We prove the existence of an optimal hyperparameter configuration for which the LGD algorithm achieves the Bayes' optimal solution for squared loss on regression tasks, and for which LGD closely approximates the posterior probabilities for well-specified classification tasks. Subsequently, we study generalization guarantees on meta learning optimal hyperparameters for the LGD algorithm from a given set of tasks in the data-driven setting. For a number of parameters dd and hyperparameter dimension hh, we show a pseudo-dimension bound of O(dh)O(dh), up to logarithmic terms under mild assumptions on LGD. This matches the dependence of the bounds on number of parameters obtained in prior work for linear regression using the elastic net, which only allows for h=2h=2 hyperparameters, and extends their bounds to regression on convex loss. Compared to bounds on regularized logistic regression that allow for only h=1h=1 hyperparameter, our bounds improve greatly on the dependence on samples per task at the cost of worse dependence on the number of parameters by accounting for hardware-aware procedures. Finally, we show empirical evidence of the success of LGD and the meta learning procedure for few-shot learning on linear and logistic regression using synthetically created datasets.
Saumya Goyal, Rohith Rongali, Ritabrata Ray +1
Date pendingcs.LG

REAL-Q: E2E LLM Quantization via Dynamic Gradient Descent

Post-training quantization (PTQ) is essential for deploying large language models (LLMs) under strict resource constraints. State-of-the-art PTQ methods quantize each layer with a single closed-form second-order solver: to remain analytically tractable, they heavily approximate the global loss (dropping cross-channel coupling, pooling output rows into groups), and they then freeze the resulting Hessian across the entire layer, with no way to refresh it as the loss landscape shifts column by column--a phenomenon we call information misalignment. We propose REAL-Q (Real-time E2E-loss Aligned LLM Quantization), a novel PTQ paradigm that breaks this compromise: instead of diluting the objective for the sake of analytic tractability, REAL-Q targets an end-to-end-aligned surrogate of the global loss and refines it via fine-grained, dynamic Block-wise Gradient Descent applied after every column block (128 columns). By coupling this fine-grained correction with a sliding window mechanism for smooth cross-layer transitions, REAL-Q effectively mitigates error propagation across the network. On LLaMA-3.1 (8B and 70B) and Qwen3 (0.6B-32B) at W4A16, REAL-Q reduces end-to-end KL divergence by up to ~49% relative to state-of-the-art globally-guided methods.
Qian Zhang, Yaoming Li, Zhewen Tan +9
Date pendingmath.NA

Deep learning methods for inverse problems using connections between proximal operators and Hamilton-Jacobi equations

Inverse problems are important mathematical problems that seek to recover model parameters from noisy data. Since inverse problems are often ill-posed, they require regularization or incorporation of prior information about the underlying model or unknown variables. Proximal operators, ubiquitous in nonsmooth optimization, are central to this because they encode priors and yield efficient iterative algorithms. They have also recently become key to modern machine learning methods, e.g., plug-and-play methods with learned denoisers and deep neural architectures for learning priors of proximal operators. The latter was developed partly due to recent work characterizing proximal operators of nonconvex priors as subdifferentials of convex potentials. In this work, we propose to leverage connections between proximal operators and Hamilton--Jacobi partial differential equations (HJ PDEs) to develop deep learning architectures for learning the prior. In contrast to other existing methods, we learn the prior directly without recourse to inverting the prior after training. We present numerical results in dimensions up to 6464, where the recovered prior is evaluated in a single forward pass.
Oluwatosin Akande, Gabriel P. Langlois, Akwum Onwunta
Date pendingcs.LG

Multi-Source Wasserstein Distributionally Robust Graph Learning

Reconstructing complex network topologies from data is a fundamental challenge in cybernetics and graph signal processing, with applications in neuroscience, sensor, and social networks. In practice, target-domain samples are scarce while heterogeneous source-domain data are abundant. Fusing these sources is challenging: Euclidean averaging works for homogeneous sources but degrades sharply as inter-source divergence grows, collapsing distinct geometries into an inflated, biased consensus. We exploit the Wasserstein metric's distribution-preserving properties to counter heterogeneity while preserving each source's intrinsic geometry. We propose MS-WDRO, a multi-source Wasserstein distributionally robust graph learning framework that fuses heterogeneous sources via their weighted Wasserstein barycenter, a geometrically principled nominal distribution, then builds an ambiguity ball around it to hedge residual uncertainty. Minimizing worst-case risk yields a tractable regularized Laplacian estimator solved efficiently via a provably convergent ADMM scheme. We establish non-asymptotic guarantees: a finite-sample concentration bound for the empirical barycenter, a pooling bias lower bound proving naive aggregation is suboptimal, and an out-of-sample excess risk bound decaying at a parametric rate with only logarithmic dependence on source count. To calibrate hyperparameters governing robustness, sparsity, and source fusion, we unroll the solver into a differentiable architecture trained end-to-end, achieving data-adaptive calibration beyond cross-validation while retaining interpretability. Experiments on synthetic benchmarks and the multi-site ABIDE~I neuroimaging dataset show MS-WDRO consistently outperforms seven baselines in graph recovery, sample efficiency, and downstream diagnostic utility, with the largest gains in the sample-scarce regime.
Chuansen Peng, Yifan Xia, Jinshan Zhong +1