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 Statistical Learning


Variance-Adaptive Optimal Algorithm for Reinforcement Learning with Multinomial Logit Function Approximation

arXiv.org Machine Learning

Reinforcement learning with multinomial logistic (MNL) function approximation has become an important framework due to its flexibility and broad applicability. While existing studies have established regret guarantees under worst-case analysis, they do not capture how performance depends on the variability of the interaction between the learner and the environment. In this paper, we develop a new theoretical analysis for MNL-based Markov decision processes that yields explicit variance-adaptive regret bounds. Our algorithm is computationally efficient and achieves the instance-wise optimal rate of regret, narrowing the gap between upper and lower bounds. Our numerical experiments validate that our method learns optimal policies more efficiently than conventional approaches.


Bridging Maximum Likelihood and Optimal Transport for Efficient Inference and Model Selection in Stochastic Block Models

arXiv.org Machine Learning

We study inference in stochastic block models (SBMs) through the lens of optimal transport (OT). We first establish that maximum likelihood variational inference (MLVI) can be interpreted as a semi-relaxed Gromov-Wasserstein (srGW) projection with entropic regularization. While this formulation yields accurate clustering, the entropic regularization prevents transport plans to be sparse, hindering intrinsic model selection. Consequently, we investigate unregularized srGW estimators, and prove that they consistently recover both the SBM connectivity matrix and latent cluster assignments in the asymptotic regime. However, this asymptotic property does not translate into reliable model selection in finite samples, and calls for additional mechanisms to promote sparsity in the inferred cluster proportions. We empirically show that such a regularized formulation yields estimators that simultaneously recover model parameters and select the number of clusters in a single optimization problem, thereby avoiding costly grid search or heuristic model selection procedures.


Conservative neural posterior estimation via distributionally robust training

arXiv.org Machine Learning

Simulation-based inference (SBI; Cranmer et al., 2020) is a powerful framework for inferring parameters of scientific models whose likelihood functions are unavailable or computationally prohibitive to evaluate, but for which simulating data is straightforward. The use of flexible neural conditional density estimators has substantially expanded the applicability of SBI to challenging problems, especially in fields such as particle physics (Brehmer, 2021), cognitive neuroscience (Fengler et al., 2021), economics (Dyer et al., 2024) and cosmology (Alsing et al., 2018; Jeffrey et al., 2021). Neural SBI methods rely on simulations from the scientific model to approximate intractable quantities such as the posterior, the likelihood, the likelihood-to-evidence ratio, or the score function; see Zammit-Mangion et al. (2024) for a recent review. In this work, we focus on the widely used neural posterior estimation (NPE) method (Papamakarios and Murray, 2016; Radev et al., 2022). A central practical limitation of NPE is the simulation budget required to train the conditional density estimator. As many scientific simulators are expensive to run, generating a sufficiently large training set is often the main computational bottleneck.


Implicit Regularization in Perturbed Deep Matrix Factorization: Spectral Conditions and Stability

arXiv.org Machine Learning

This paper studies the stability of low-rank implicit regularization in perturbed deep matrix factorization, where the target matrix is corrupted by a noise matrix. We first derive sufficient spectral conditions under which gradient descent exhibits a low-rank phase in the noiseless setting. These conditions show how the target spectrum, initialization, and step size jointly determine the existence of a nonempty low-rank interval. We then analyze the perturbed gradient descent dynamics, proving convergence guarantees and quantifying how the perturbation affects iteration complexity and eigenvalue recovery. Finally, we show that the low-rank phase persists under perturbation, with explicit dependence on the perturbation size. Numerical experiments support the theoretical findings.


Optimal ridge regularization revisited

arXiv.org Machine Learning

We consider $L^2$-regularized linear (ridge) regression over a finite data sample $X$ with bounded covariance and linear prediction targets $y$ with additive isotropic noise of finite variance. We present an iterative procedure to compute the optimal regularization strength numerically from the generative parameters in the fixed-$X$ setting and prove its convergence at limited noise levels. Our experimental evaluation over synthetic data shows that the proposed procedure combined with sample-based parameter estimates attains near-optimal random-$X$ generalization across a wide range of sample sizes, aspect ratios, and noise levels, at an added computational cost equivalent to one preliminary ridge regression in the underparameterized regime and two in the overparameterized case.


Principled Algorithms for Optimizing Generalized Metrics in Multi-Label Learning

arXiv.org Machine Learning

Many real-world classification tasks require predicting multiple labels per instance, necessitating the optimization of complex evaluation metrics such as the $F$-measure and Jaccard index. While the Empirical Utility Maximization (EUM) framework is natural for these population-level metrics, existing theoretical results are largely limited to asymptotic Bayes-consistency. In this paper, we develop principled learning algorithms for optimizing a broad class of generalized metrics within the EUM framework, grounded in the stronger notion of $H$-consistency. Our key contribution is the design of novel surrogate loss functions for multi-label learning that admit provable $H$-consistency bounds, enabling optimization with non-asymptotic guarantees tailored to the hypothesis class and finite samples. Crucially, we prove these combinatorially formulated surrogates decompose exactly, operating in strictly $O(l)$ time without approximations. Building on this foundation, we introduce MMO (Multi-Label Metric Optimization), a new family of algorithms for optimizing generalized linear-fractional metrics. We validate our approach through extensive experiments, demonstrating robust scalability and superior performance over state-of-the-art continuous baselines on large-scale datasets (MS-COCO, Reuters-21578) in high-sparsity, deep learning regimes. Our results offer both theoretical rigor and practical effectiveness for general multi-label metric optimization.


The General Theory of Localization Methods

arXiv.org Machine Learning

This paper proposes a general machine learning framework called the localization method, which is fundamentally built on two core concepts: localization kernels and local means -- key components that underpin the self-attention mechanism. To establish a rigorous theoretical foundation, the framework is formally defined through two essential pillars: the formulation of the local(-ized) model and the localization trick. We systematically investigate the connections between the localization method and a wide range of existing machine learning models/methods, including (but not limited to) kernel methods, lazy learning, the MeanShift algorithm, relaxation labeling, Hopfield networks, local linear embedding (LLE), fuzzy inference, and denoising autoencoders (DAEs). By dissecting these relationships, we clarify the broader theoretical significance of the localization method and demonstrate its practical applicability across diverse machine learning tasks. Furthermore, we explore advanced extensions of the framework, such as adaptive kernels, hierarchical local models, and non-local models. Notably, we show that the Transformer -- a cornerstone of modern sequence modeling -- can be constructed using hierarchical local models, revealing the ability of the localization method to unify and generalize state-of-the-art architectures. This work not only provides a unified theoretical lens to reinterpret existing models but also offers new methodological tools for designing flexible, data-adaptive learning systems.


Beyond Coefficients: Forecast-Necessity Testing for Interpretable Causal Discovery in Nonlinear Time-Series Models

arXiv.org Machine Learning

Nonlinear machine-learning models are increasingly used to discover causal relationships in time-series data, yet the interpretation of their outputs remains poorly understood. In particular, causal scores produced by regularized neural autoregressive models are often treated as analogues of regression coefficients, leading to misleading claims of statistical significance. In this paper, we argue that causal relevance in nonlinear time-series models should be evaluated through forecast necessity rather than coefficient magnitude, and we present a practical evaluation procedure for doing so. We present an interpretable evaluation framework based on systematic edge ablation and forecast comparison, which tests whether a candidate causal relationship is required for accurate prediction. Using Neural Additive Vector Autoregression as a case study model, we apply this framework to a real-world case study of democratic development, modeled as a multivariate time series of panel data - democracy indicators across 139 countries. We show that relationships with similar causal scores can differ dramatically in their predictive necessity due to redundancy, temporal persistence, and regime-specific effects. Our results demonstrate how forecast-necessity testing supports more reliable causal reasoning in applied AI systems and provides practical guidance for interpreting nonlinear time-series models in high-stakes domains.


Grokking or Glitching? How Low-Precision Drives Slingshot Loss Spikes

arXiv.org Machine Learning

Deep neural networks exhibit periodic loss spikes during unregularized long-term training, a phenomenon known as the "Slingshot Mechanism." Existing work usually attributes this to intrinsic optimization dynamics, but its triggering mechanism remains unclear. This paper proves that this phenomenon is a result of floating-point arithmetic precision limits. As training enters a high-confidence stage, the difference between the correct-class logit and the other logits may exceed the absorption-error threshold. Then during backpropagation, the gradient of the correct class is rounded exactly to zero, while the gradients of the incorrect classes remain nonzero. This breaks the zero-sum constraint of gradients across classes and introduces a systematic drift in the parameter update of the classifier layer. We prove that this drift forms a positive feedback loop with the feature, causing the global classifier mean and the global feature mean to grow exponentially. We call this mechanism Numerical Feature Inflation (NFI). This mechanism explains the rapid norm growth before a Slingshot spike, the subsequent reappearance of gradients, and the resulting loss spike. We further show that NFI is not equivalent to an observed loss spike: in more practical tasks, partial absorption may not produce visible spikes, but it can still break the zero-sum constraint and drive rapid growth of parameter norms. Our results reinterpret Slingshot as a numerical dynamic of finite-precision training, and provide a testable explanation for abnormal parameter growth and logit divergence in late-stage training.


From Privacy to Generalization: Linear Max-Information Bounds for DP-SGD

arXiv.org Machine Learning

Understanding the relationship between generalization and privacy remains a central challenge in modern machine learning theory, particularly for deep networks trained by variants of differentially private stochastic gradient descent (DP-SGD). In this work we make progress on this persistent open problem by proving a finite-sample bound on the approximate max-information of DP-SGD that exhibits scaling properties comparable with (Dwork et al, 2015)'s classic result for $ε$-differentially private algorithms, namely at most linear in the dataset size. From our result we obtain a general-purpose PAC-Bayes generalization bound in which the necessary prior distribution can be learned by DP-SGD, as well as a generalization bound for DP-SGD-trained models themselves, with a complexity term that is fully explicit and controlled by the optimization hyperparameters.