Using continuous-time stochastic differential equation (SDE) proxies to stochastic optimization algorithms has proven fruitful for understanding their generalization abilities. A significant part of these approaches are based on the so-called ``entropy flows'', which greatly simplify the generalization analysis. Unfortunately, such well-structured entropy flows cannot be obtained for most discrete-time algorithms, and the existing SDE approaches remain limited to specific noise and algorithmic structures. We aim to alleviate this issue by introducing a generic framework for analyzing the generalization error of Markov algorithms through `Poissonization', a continuous-time approximation of discrete-time processes with formal approximation guarantees. Through this approach, we first develop a novel entropy flow, which directly leads to PAC-Bayesian generalization bounds. We then draw novel links to modified versions of the celebrated logarithmic Sobolev inequalities (LSI), identify cases where such LSIs are satisfied, and obtain improved bounds. Beyond its generality, our framework allows exploiting specific properties of learning algorithms. In particular, we incorporate the noise structure of different algorithm types - namely, those with additional noise injections (noisy) and those without (non-noisy) - through various technical tools. This illustrates the capacity of our methods to achieve known (yet, Poissonized) and new generalization bounds.

Understanding the generalization properties of optimization algorithms under heavy-tailed noise has gained growing attention. However, the existing theoretical results mainly focus on stochastic gradient descent (SGD) and the analysis of heavy-tailed optimizers beyond SGD is still missing. In this work, we establish generalization bounds for SGD with momentum (SGDm) under heavy-tailed gradient noise. We first consider the continuous-time limit of SGDm, i.e., a Levy-driven stochastic differential equation (SDE), and establish quantitative Wasserstein algorithmic stability bounds for a class of potentially non-convex loss functions. Our bounds reveal a remarkable observation: For quadratic loss functions, we show that SGDm admits a worse generalization bound in the presence of heavy-tailed noise, indicating that the interaction of momentum and heavy tails can be harmful for generalization. We then extend our analysis to discrete-time and develop a uniform-in-time discretization error bound, which, to our knowledge, is the first result of its kind for SDEs with degenerate noise. This result shows that, with appropriately chosen step-sizes, the discrete dynamics retain the generalization properties of the limiting SDE. We illustrate our theory on both synthetic quadratic problems and neural networks.

We show that learning-rate schedules for large model training behave surprisingly similar to a performance bound from non-smooth convex optimization theory. We provide a bound for the constant schedule with linear cooldown; in particular, the practical benefit of cooldown is reflected in the bound due to the absence of logarithmic terms. Further, we show that this surprisingly close match between optimization theory and practice can be exploited for learning-rate tuning: we achieve noticeable improvements for training 124M and 210M Llama-type models by (i) extending the schedule for continued training with optimal learning-rate, and (ii) transferring the optimal learning-rate across schedules.

We propose data-dependent uniform generalization bounds by approaching the problem from a PAC-Bayesian perspective. We first apply the PAC-Bayesian framework on `random sets' in a rigorous way, where the training algorithm is assumed to output a data-dependent hypothesis set after observing the training data. This approach allows us to prove data-dependent bounds, which can be applicable in numerous contexts. To highlight the power of our approach, we consider two main applications. First, we propose a PAC-Bayesian formulation of the recently developed fractal-dimension-based generalization bounds. The derived results are shown to be tighter and they unify the existing results around one simple proof technique. Second, we prove uniform bounds over the trajectories of continuous Langevin dynamics and stochastic gradient Langevin dynamics. These results provide novel information about the generalization properties of noisy algorithms.

There are several applications of stochastic optimization where one can benefit from a robust estimate of the gradient. For example, domains such as distributed learning with corrupted nodes, the presence of large outliers in the training data, learning under privacy constraints, or even heavy-tailed noise due to the dynamics of the algorithm itself. Here we study SGD with robust gradient estimators based on estimating the median. We first consider computing the median gradient across samples, and show that the resulting method can converge even under heavy-tailed, state-dependent noise. We then derive iterative methods based on the stochastic proximal point method for computing the geometric median and generalizations thereof. Finally we propose an algorithm estimating the median gradient across iterations, and find that several well known methods - in particular different forms of clipping - are particular cases of this framework.

Modern machine learning usually involves predictors in the overparametrised setting (number of trained parameters greater than dataset size), and their training yield not only good performances on training data, but also good generalisation capacity. This phenomenon challenges many theoretical results, and remains an open problem. To reach a better understanding, we provide novel generalisation bounds involving gradient terms. To do so, we combine the PAC-Bayes toolbox with Poincar\'e and Log-Sobolev inequalities, avoiding an explicit dependency on dimension of the predictor space. Our results highlight the positive influence of \emph{flat minima} (being minima with a neighbourhood nearly minimising the learning problem as well) on generalisation performances, involving directly the benefits of the optimisation phase.

Algorithmic stability is an important notion that has proven powerful for deriving generalization bounds for practical algorithms. The last decade has witnessed an increasing number of stability bounds for different algorithms applied on different classes of loss functions. While these bounds have illuminated various properties of optimization algorithms, the analysis of each case typically required a different proof technique with significantly different mathematical tools. In this study, we make a novel connection between learning theory and applied probability and introduce a unified guideline for proving Wasserstein stability bounds for stochastic optimization algorithms. We illustrate our approach on stochastic gradient descent (SGD) and we obtain time-uniform stability bounds (i.e., the bound does not increase with the number of iterations) for strongly convex losses and non-convex losses with additive noise, where we recover similar results to the prior art or extend them to more general cases by using a single proof technique. Our approach is flexible and can be generalizable to other popular optimizers, as it mainly requires developing Lyapunov functions, which are often readily available in the literature. It also illustrates that ergodicity is an important component for obtaining time-uniform bounds -- which might not be achieved for convex or non-convex losses unless additional noise is injected to the iterates. Finally, we slightly stretch our analysis technique and prove time-uniform bounds for SGD under convex and non-convex losses (without additional additive noise), which, to our knowledge, is novel.

A recent line of empirical studies has demonstrated that SGD might exhibit a heavy-tailed behavior in practical settings, and the heaviness of the tails might correlate with the overall performance. In this paper, we investigate the emergence of such heavy tails. Previous works on this problem only considered, up to our knowledge, online (also called single-pass) SGD, in which the emergence of heavy tails in theoretical findings is contingent upon access to an infinite amount of data. Hence, the underlying mechanism generating the reported heavy-tailed behavior in practical settings, where the amount of training data is finite, is still not well-understood. Our contribution aims to fill this gap. In particular, we show that the stationary distribution of offline (also called multi-pass) SGD exhibits 'approximate' power-law tails and the approximation error is controlled by how fast the empirical distribution of the training data converges to the true underlying data distribution in the Wasserstein metric. Our main takeaway is that, as the number of data points increases, offline SGD will behave increasingly 'power-law-like'. To achieve this result, we first prove nonasymptotic Wasserstein convergence bounds for offline SGD to online SGD as the number of data points increases, which can be interesting on their own. Finally, we illustrate our theory on various experiments conducted on synthetic data and neural networks.

Representation learning plays a crucial role in automated feature selection, particularly in the context of high-dimensional data, where non-parametric methods often struggle. In this study, we focus on supervised learning scenarios where the pertinent information resides within a lower-dimensional linear subspace of the data, namely the multi-index model. If this subspace were known, it would greatly enhance prediction, computation, and interpretation. To address this challenge, we propose a novel method for linear feature learning with non-parametric prediction, which simultaneously estimates the prediction function and the linear subspace. Our approach employs empirical risk minimisation, augmented with a penalty on function derivatives, ensuring versatility. Leveraging the orthogonality and rotation invariance properties of Hermite polynomials, we introduce our estimator, named RegFeaL. By utilising alternative minimisation, we iteratively rotate the data to improve alignment with leading directions and accurately estimate the relevant dimension in practical settings. We establish that our method yields a consistent estimator of the prediction function with explicit rates. Additionally, we provide empirical results demonstrating the performance of RegFeaL in various experiments.

Algorithm- and data-dependent generalization bounds are required to explain the generalization behavior of modern machine learning algorithms. In this context, there exists information theoretic generalization bounds that involve (various forms of) mutual information, as well as bounds based on hypothesis set stability. We propose a conceptually related, but technically distinct complexity measure to control generalization error, which is the empirical Rademacher complexity of an algorithm- and data-dependent hypothesis class. Combining standard properties of Rademacher complexity with the convenient structure of this class, we are able to (i) obtain novel bounds based on the finite fractal dimension, which (a) extend previous fractal dimension-type bounds from continuous to finite hypothesis classes, and (b) avoid a mutual information term that was required in prior work; (ii) we greatly simplify the proof of a recent dimension-independent generalization bound for stochastic gradient descent; and (iii) we easily recover results for VC classes and compression schemes, similar to approaches based on conditional mutual information.