Piecewise deterministic generative models

We introduce a novel class of generative models based on piecewise deterministic Markov processes (PDMPs), a family of non-diffusive stochastic processes consisting of deterministic motion and random jumps at random times. Similarly to diffusions, such Markov processes admit time reversals that turn out to be PDMPs as well. We apply this observation to three PDMPs considered in the literature: the Zig-Zag process, Bouncy Particle Sampler, and Randomised Hamiltonian Monte Carlo. For these three particular instances, we show that the jump rates and kernels of the corresponding time reversals admit explicit expressions depending on some conditional densities of the PDMP under consideration before and after a jump. Based on these results, we propose efficient training procedures to learn these characteristics and consider methods to approximately simulate the reverse process. Finally, we provide bounds in the total variation distance between the data distribution and the resulting distribution of our model in the case where the base distribution is the standard $d$-dimensional Gaussian distribution. Promising numerical simulations support further investigations into this class of models.

Denoising Lévy Probabilistic Models

Investigating noise distribution beyond Gaussian in diffusion generative models is an open problem. The Gaussian case has seen success experimentally and theoretically, fitting a unified SDE framework for score-based and denoising formulations. Recent studies suggest heavy-tailed noise distributions can address mode collapse and manage datasets with class imbalance, heavy tails, or outliers. Yoon et al. (NeurIPS 2023) introduced the L\'evy-Ito model (LIM), extending the SDE framework to heavy-tailed SDEs with $\alpha$-stable noise. Despite its theoretical elegance and performance gains, LIM's complex mathematics may limit its accessibility and broader adoption. This study takes a simpler approach by extending the denoising diffusion probabilistic model (DDPM) with $\alpha$-stable noise, creating the denoising L\'evy probabilistic model (DLPM). Using elementary proof techniques, we show DLPM reduces to running vanilla DDPM with minimal changes, allowing the use of existing implementations with minimal changes. DLPM and LIM have different training algorithms and, unlike the Gaussian case, they admit different backward processes and sampling algorithms. Our experiments demonstrate that DLPM achieves better coverage of data distribution tail, improved generation of unbalanced datasets, and faster computation times with fewer backward steps.

Uniform Generalization Bounds on Data-Dependent Hypothesis Sets via PAC-Bayesian Theory on Random Sets

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.

SGD with Clipping is Secretly Estimating the Median Gradient

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.

A PAC-Bayesian Link Between Generalisation and Flat Minima

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.

Approximate Heavy Tails in Offline (Multi-Pass) Stochastic Gradient Descent

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.

Nonparametric Linear Feature Learning in Regression Through Regularisation

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.

Generalization Guarantees via Algorithm-dependent Rademacher Complexity

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.

Implicit Compressibility of Overparametrized Neural Networks Trained with Heavy-Tailed SGD

Neural network compression has been an increasingly important subject, due to its practical implications in terms of reducing the computational requirements and its theoretical implications, as there is an explicit connection between compressibility and the generalization error. Recent studies have shown that the choice of the hyperparameters of stochastic gradient descent (SGD) can have an effect on the compressibility of the learned parameter vector. Even though these results have shed some light on the role of the training dynamics over compressibility, they relied on unverifiable assumptions and the resulting theory does not provide a practical guideline due to its implicitness. In this study, we propose a simple modification for SGD, such that the outputs of the algorithm will be provably compressible without making any nontrivial assumptions. We consider a one-hidden-layer neural network trained with SGD and we inject additive heavy-tailed noise to the iterates at each iteration. We then show that, for any compression rate, there exists a level of overparametrization (i.e., the number of hidden units), such that the output of the algorithm will be compressible with high probability. To achieve this result, we make two main technical contributions: (i) we build on a recent study on stochastic analysis and prove a 'propagation of chaos' result with improved rates for a class of heavy-tailed stochastic differential equations, and (ii) we derive strong-error estimates for their Euler discretization. We finally illustrate our approach on experiments, where the results suggest that the proposed approach achieves compressibility with a slight compromise from the training and test error.

Learning via Wasserstein-Based High Probability Generalisation Bounds

Minimising upper bounds on the population risk or the generalisation gap has been widely used in structural risk minimisation (SRM) - this is in particular at the core of PAC-Bayesian learning. Despite its successes and unfailing surge of interest in recent years, a limitation of the PAC-Bayesian framework is that most bounds involve a Kullback-Leibler (KL) divergence term (or its variations), which might exhibit erratic behavior and fail to capture the underlying geometric structure of the learning problem - hence restricting its use in practical applications. As a remedy, recent studies have attempted to replace the KL divergence in the PAC-Bayesian bounds with the Wasserstein distance. Even though these bounds alleviated the aforementioned issues to a certain extent, they either hold in expectation, are for bounded losses, or are nontrivial to minimize in an SRM framework. In this work, we contribute to this line of research and prove novel Wasserstein distance-based PAC-Bayesian generalisation bounds for both batch learning with independent and identically distributed (i.i.d.) data, and online learning with potentially non-i.i.d. data. Contrary to previous art, our bounds are stronger in the sense that (i) they hold with high probability, (ii) they apply to unbounded (potentially heavy-tailed) losses, and (iii) they lead to optimizable training objectives that can be used in SRM. As a result we derive novel Wasserstein-based PAC-Bayesian learning algorithms and we illustrate their empirical advantage on a variety of experiments.