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 Statistical Learning




Bridging OOD Detection and Generalization: A Graph-Theoretic View Han Wang

Neural Information Processing Systems

In the context of modern machine learning, models deployed in real-world scenarios often encounter diverse data shifts like covariate and semantic shifts, leading to challenges in both out-of-distribution (OOD) generalization and detection.



On the optimization dynamics of RLVR: Gradient gap and step size thresholds

arXiv.org Machine Learning

Reinforcement Learning with Verifiable Rewards (RLVR), which uses simple binary feedback to post-train large language models, has shown significant empirical success. However, a principled understanding of why it works has been lacking. This paper builds a theoretical foundation for RLVR by analyzing its training process at both the full-response (trajectory) and token levels. Central to our analysis is a quantity called the Gradient Gap, which formalizes the direction of improvement from low-reward to high-reward regions of the response space. We prove that convergence critically depends on aligning the update direction with this Gradient Gap. Moreover, we derive a sharp step-size threshold based on the magnitude of the Gradient Gap: below it, learning converges, whereas above it, performance collapses. Our theory further predicts how the critical step size must scale with response length and the success rate, thereby explaining why practical heuristics such as length normalization improve stability and showing that, with a fixed learning rate, the success rate can stagnate strictly below $100\%$. We validate these predictions through controlled bandit simulations and LLM experiments, including training Qwen2.5-7B with GRPO.


Accelerated Aggregated D-Optimal Designs for Estimating Main Effects in Black-Box Models

arXiv.org Machine Learning

Recent advances in supervised learning have driven growing interest in explaining black-box models, particularly by estimating the effects of input variables on model predictions. However, existing approaches often face key limitations, including poor scalability, sensitivity to out-of-distribution sampling, and instability under correlated features. To address these issues, we propose A2D2E, an $\textbf{E}$stimator based on $\textbf{A}$ccelerated $\textbf{A}$ggregated $\textbf{D}$-Optimal $\textbf{D}$esigns. Our method leverages principled experimental design to improve efficiency and robustness in main effect estimation. We establish theoretical guarantees, including convergence and variance reduction, and validate A2D2E through extensive simulations. We further provide the potential of the proposed method with a case study on real data and applications in language models. The code to reproduce the results can be found at https://github.com/cchihyu/A2D2E.


PAC Learnability in the Presence of Performativity

arXiv.org Machine Learning

Following the wide-spread adoption of machine learning models in real-world applications, the phenomenon of performativity, i.e. model-dependent shifts in the test distribution, becomes increasingly prevalent. Unfortunately, since models are usually trained solely based on samples from the original (unshifted) distribution, this performative shift may lead to decreased test-time performance. In this paper, we study the question of whether and when performative binary classification problems are learnable, via the lens of the classic PAC (Probably Approximately Correct) learning framework. We motivate several performative scenarios, accounting in particular for linear shifts in the label distribution, as well as for more general changes in both the labels and the features. We construct a performative empirical risk function, which depends only on data from the original distribution and on the type performative effect, and is yet an unbiased estimate of the true risk of a classifier on the shifted distribution. Minimizing this notion of performative risk allows us to show that any PAC-learnable hypothesis space in the standard binary classification setting remains PAC-learnable for the considered performative scenarios. We also conduct an extensive experimental evaluation of our performative risk minimization method and showcase benefits on synthetic and real data.


High-dimensional Analysis of Synthetic Data Selection

arXiv.org Machine Learning

Despite the progress in the development of generative models, their usefulness in creating synthetic data that improve prediction performance of classifiers has been put into question. Besides heuristic principles such as "synthetic data should be close to the real data distribution", it is actually not clear which specific properties affect the generalization error. Our paper addresses this question through the lens of high-dimensional regression. Theoretically, we show that, for linear models, the covariance shift between the target distribution and the distribution of the synthetic data affects the generalization error but, surprisingly, the mean shift does not. Furthermore we prove that, in some settings, matching the covariance of the target distribution is optimal. Remarkably, the theoretical insights from linear models carry over to deep neural networks and generative models. We empirically demonstrate that the covariance matching procedure (matching the covariance of the synthetic data with that of the data coming from the target distribution) performs well against several recent approaches for synthetic data selection, across training paradigms, architectures, datasets and generative models used for augmentation.


Near-optimal Rank Adaptive Inference of High Dimensional Matrices

arXiv.org Machine Learning

We address the problem of estimating a high-dimensional matrix from linear measurements, with a focus on designing optimal rank-adaptive algorithms. These algorithms infer the matrix by estimating its singular values and the corresponding singular vectors up to an effective rank, adaptively determined based on the data. We establish instance-specific lower bounds for the sample complexity of such algorithms, uncovering fundamental trade-offs in selecting the effective rank: balancing the precision of estimating a subset of singular values against the approximation cost incurred for the remaining ones. Our analysis identifies how the optimal effective rank depends on the matrix being estimated, the sample size, and the noise level. We propose an algorithm that combines a Least-Squares estimator with a universal singular value thresholding procedure. We provide finite-sample error bounds for this algorithm and demonstrate that its performance nearly matches the derived fundamental limits. Our results rely on an enhanced analysis of matrix denoising methods based on singular value thresholding. We validate our findings with applications to multivariate regression and linear dynamical system identification.


Beyond Real Data: Synthetic Data through the Lens of Regularization

arXiv.org Machine Learning

Synthetic data can improve generalization when real data is scarce, but excessive reliance may introduce distributional mismatches that degrade performance. In this paper, we present a learning-theoretic framework to quantify the trade-off between synthetic and real data. Our approach leverages algorithmic stability to derive generalization error bounds, characterizing the optimal synthetic-to-real data ratio that minimizes expected test error as a function of the Wasserstein distance between the real and synthetic distributions. We motivate our framework in the setting of kernel ridge regression with mixed data, offering a detailed analysis that may be of independent interest. Our theory predicts the existence of an optimal ratio, leading to a U-shaped behavior of test error with respect to the proportion of synthetic data. Empirically, we validate this prediction on CIFAR-10 and a clinical brain MRI dataset. Our theory extends to the important scenario of domain adaptation, showing that carefully blending synthetic target data with limited source data can mitigate domain shift and enhance generalization. We conclude with practical guidance for applying our results to both in-domain and out-of-domain scenarios.