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Score-based Metropolis-Hastings for Fractional Langevin Algorithms

arXiv.org Machine Learning

Sampling from heavy-tailed and multimodal distributions is challenging when neither the target density nor the proposal density can be evaluated, as in $α$-stable Lévy-driven fractional Langevin algorithms. While the target distribution can be estimated from data via score-based or energy-based models, the $α$-stable proposal density and its score are generally unavailable, rendering classical density-based Metropolis--Hastings (MH) corrections impractical. Consequently, existing fractional Langevin methods operate in an unadjusted regime and can exhibit substantial finite-time errors and poor empirical control of tail behavior. We introduce the Metropolis-Adjusted Fractional Langevin Algorithm (MAFLA), an MH-inspired, fully score-based correction mechanism. MAFLA employs designed proxies for fractional proposal score gradients under isotropic symmetric $α$-stable noise and learns an acceptance function via Score Balance Matching. We empirically illustrate the strong performance of MAFLA on a series of tasks including combinatorial optimization problems where the method significantly improves finite time sampling accuracy over unadjusted fractional Langevin dynamics.


Test-Time Adaptation for Non-stationary Time Series: From Synthetic Regime Shifts to Financial Markets

arXiv.org Machine Learning

Time series encountered in practice are rarely stationary. When the data distribution changes, a forecasting model trained on past observations can lose accuracy. We study a small-footprint test-time adaptation (TTA) framework for causal timeseries forecasting and direction classification. The backbone is frozen, and only normalization affine parameters are updated using recent unlabeled windows. For classification we minimize entropy and enforce temporal consistency; for regression we minimize prediction variance across weak time-preserving augmentations and optionally distill from an EMA teacher. A quadratic drift penalty and an uncertainty triggered fallback keep updates stable. We evaluate this framework in two stages: synthetic regime shifts on ETT benchmarks, and daily equity and FX series (SPY, QQQ, EUR/USD) across pandemic, high-inflation, and recovery regimes. On synthetic gradual drift, normalization-based TTA improves forecasting error, while in financial markets a simple batch-normalization statistics update is a robust default and more aggressive norm-only adaptation can even hurt. Our results provide practical guidance for deploying TTA on non-stationary time series.


Optimal Sample Complexity for Single Time-Scale Actor-Critic with Momentum

arXiv.org Machine Learning

We establish an optimal sample complexity of $O(ε^{-2})$ for obtaining an $ε$-optimal global policy using a single-timescale actor-critic (AC) algorithm in infinite-horizon discounted Markov decision processes (MDPs) with finite state-action spaces, improving upon the prior state of the art of $O(ε^{-3})$. Our approach applies STORM (STOchastic Recursive Momentum) to reduce variance in the critic updates. However, because samples are drawn from a nonstationary occupancy measure induced by the evolving policy, variance reduction via STORM alone is insufficient. To address this challenge, we maintain a buffer of small fraction of recent samples and uniformly sample from it for each critic update. Importantly, these mechanisms are compatible with existing deep learning architectures and require only minor modifications, without compromising practical applicability.


Rod Flow: A Continuous-Time Model for Gradient Descent at the Edge of Stability

arXiv.org Machine Learning

How can we understand gradient-based training over non-convex landscapes? The edge of stability phenomenon, introduced in Cohen et al. (2021), indicates that the answer is not so simple: namely, gradient descent (GD) with large step sizes often diverges away from the gradient flow. In this regime, the "Central Flow", recently proposed in Cohen et al. (2025), provides an accurate ODE approximation to the GD dynamics over many architectures. In this work, we propose Rod Flow, an alternative ODE approximation, which carries the following advantages: (1) it rests on a principled derivation stemming from a physical picture of GD iterates as an extended one-dimensional object -- a "rod"; (2) it better captures GD dynamics for simple toy examples and matches the accuracy of Central Flow for representative neural network architectures, and (3) is explicit and cheap to compute. Theoretically, we prove that Rod Flow correctly predicts the critical sharpness threshold and explains self-stabilization in quartic potentials. We validate our theory with a range of numerical experiments.


An Odd Estimator for Shapley Values

arXiv.org Machine Learning

The Shapley value is a ubiquitous framework for attribution in machine learning, encompassing feature importance, data valuation, and causal inference. However, its exact computation is generally intractable, necessitating efficient approximation methods. While the most effective and popular estimators leverage the paired sampling heuristic to reduce estimation error, the theoretical mechanism driving this improvement has remained opaque. In this work, we provide an elegant and fundamental justification for paired sampling: we prove that the Shapley value depends exclusively on the odd component of the set function, and that paired sampling orthogonalizes the regression objective to filter out the irrelevant even component. Leveraging this insight, we propose OddSHAP, a novel consistent estimator that performs polynomial regression solely on the odd subspace. By utilizing the Fourier basis to isolate this subspace and employing a proxy model to identify high-impact interactions, OddSHAP overcomes the combinatorial explosion of higher-order approximations. Through an extensive benchmark evaluation, we find that OddSHAP achieves state-of-the-art estimation accuracy.


A Statistical Theory of Gated Attention through the Lens of Hierarchical Mixture of Experts

arXiv.org Machine Learning

Self-attention has greatly contributed to the success of the widely used Transformer architecture by enabling learning from data with long-range dependencies. In an effort to improve performance, a gated attention model that leverages a gating mechanism within the multi-head self-attention has recently been proposed as a promising alternative. Gated attention has been empirically demonstrated to increase the expressiveness of low-rank mapping in standard attention and even to eliminate the attention sink phenomenon. Despite its efficacy, a clear theoretical understanding of gated attention's benefits remains lacking in the literature. To close this gap, we rigorously show that each entry in a gated attention matrix or a multi-head self-attention matrix can be written as a hierarchical mixture of experts. By recasting learning as an expert estimation problem, we demonstrate that gated attention is more sample-efficient than multi-head self-attention. In particular, while the former needs only a polynomial number of data points to estimate an expert, the latter requires exponentially many data points to achieve the same estimation error. Furthermore, our analysis also provides a theoretical justification for why gated attention yields higher performance when a gate is placed at the output of the scaled dot product attention or the value map rather than at other positions in the multi-head self-attention architecture.


Maximizing Reliability with Bayesian Optimization

arXiv.org Machine Learning

Bayesian optimization (BO) is a popular, sample-efficient technique for expensive, black-box optimization. One such problem arising in manufacturing is that of maximizing the reliability, or equivalently minimizing the probability of a failure, of a design which is subject to random perturbations - a problem that can involve extremely rare failures ($P_\mathrm{fail} = 10^{-6}-10^{-8}$). In this work, we propose two BO methods based on Thompson sampling and knowledge gradient, the latter approximating the one-step Bayes-optimal policy for minimizing the logarithm of the failure probability. Both methods incorporate importance sampling to target extremely small failure probabilities. Empirical results show the proposed methods outperform existing methods in both extreme and non-extreme regimes.


Efficient Swap Regret Minimization in Combinatorial Bandits

arXiv.org Machine Learning

This paper addresses the problem of designing efficient no-swap regret algorithms for combinatorial bandits, where the number of actions $N$ is exponentially large in the dimensionality of the problem. In this setting, designing efficient no-swap regret translates to sublinear -- in horizon $T$ -- swap regret with polylogarithmic dependence on $N$. In contrast to the weaker notion of external regret minimization - a problem which is fairly well understood in the literature - achieving no-swap regret with a polylogarithmic dependence on $N$ has remained elusive in combinatorial bandits. Our paper resolves this challenge, by introducing a no-swap-regret learning algorithm with regret that scales polylogarithmically in $N$ and is tight for the class of combinatorial bandits. To ground our results, we also demonstrate how to implement the proposed algorithm efficiently -- that is, with a per-iteration complexity that also scales polylogarithmically in $N$ -- across a wide range of well-studied applications.


Data- and Variance-dependent Regret Bounds for Online Tabular MDPs

arXiv.org Machine Learning

This work studies online episodic tabular Markov decision processes (MDPs) with known transitions and develops best-of-both-worlds algorithms that achieve refined data-dependent regret bounds in the adversarial regime and variance-dependent regret bounds in the stochastic regime. We quantify MDP complexity using a first-order quantity and several new data-dependent measures for the adversarial regime, including a second-order quantity and a path-length measure, as well as variance-based measures for the stochastic regime. To adapt to these measures, we develop algorithms based on global optimization and policy optimization, both built on optimistic follow-the-regularized-leader with log-barrier regularization. For global optimization, our algorithms achieve first-order, second-order, and path-length regret bounds in the adversarial regime, and in the stochastic regime, they achieve a variance-aware gap-independent bound and a variance-aware gap-dependent bound that is polylogarithmic in the number of episodes. For policy optimization, our algorithms achieve the same data- and variance-dependent adaptivity, up to a factor of the episode horizon, by exploiting a new optimistic $Q$-function estimator. Finally, we establish regret lower bounds in terms of data-dependent complexity measures for the adversarial regime and a variance measure for the stochastic regime, implying that the regret upper bounds achieved by the global-optimization approach are nearly optimal.


Harmful Overfitting in Sobolev Spaces

arXiv.org Machine Learning

Motivated by recent work on benign overfitting in overparameterized machine learning, we study the generalization behavior of functions in Sobolev spaces $W^{k, p}(\mathbb{R}^d)$ that perfectly fit a noisy training data set. Under assumptions of label noise and sufficient regularity in the data distribution, we show that approximately norm-minimizing interpolators, which are canonical solutions selected by smoothness bias, exhibit harmful overfitting: even as the training sample size $n \to \infty$, the generalization error remains bounded below by a positive constant with high probability. Our results hold for arbitrary values of $p \in [1, \infty)$, in contrast to prior results studying the Hilbert space case ($p = 2$) using kernel methods. Our proof uses a geometric argument which identifies harmful neighborhoods of the training data using Sobolev inequalities.