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Luc Rey-Bellet

Publications and source records attributed to Luc Rey-Bellet.

At least 19 recordsLinked to original sources

Fine-Tuning Generative Models for Extreme Events via CVaR-Penalized Wasserstein Gradient Flows

We propose CVaR-penalized Generative Particle Algorithm (CVaR-GPA), a robust, tail-agnostic algorithm for fine-tuning generative models to learn heavy-tailed distributions and capture extreme events, requiring no prior knowledge or estimation of the target's tail characteristics. The method is the Wasserstein gradient flow of the Lipschitz-regularized Kullback-Leibler (KL) divergence penalized by a Conditional Value-at-Risk (CVaR) discrepancy term: the Lipschitz-regularized KL divergence enables robust learning under minimal assumptions on the target distribution, while the CVaR penalty restores the velocity that otherwise vanishes prematurely in the under-sampled tails. The penalized flow admits a bounded but non-Lipschitz velocity field. This departs from the Lipschitz transport maps of standard generators, which preserve the tail behavior of a light-tailed source, and enables transport toward heavier-tailed targets. To define this flow on empirical measures, we derive the first-variation subgradients of CVaR from its Rockafellar-Uryasev representation, valid precisely where the classical density-based formula fails. The particle algorithm CVaR-GPA fine-tunes the output samples of any pre-trained model, without access to its architecture, and runs on an adaptive time horizon set by a kinetic-energy stopping criterion rather than a preset depth. On synthetic isotropic and anisotropic Student-$t$ target distributions, Neal's funnel distribution, and the real-world high-dimensional Fama-French 25 portfolio dataset, CVaR-GPA dramatically improves global and tail accuracy on heavy-tailed targets over the pre-trained baseline.

stat.ML

Concentration Inequalities and UQ Bounds for Hypocoercive MCMC Samplers

In this work we provide performance guarantees for hypocoercive non-reversible MCMC samplers $X_t$ with invariant measure $μ_*$; our results apply in particular to the Langevin equation, Hamiltonian Monte-Carlo, and the bouncy particle and zig-zag samplers. Specifically, we establish a concentration inequality of Bernstein type for ergodic averages $\frac{1}{T} \int_0^T f(X_t)\, dt$. As a consequence we provide two types of performance guarantees: (a) explicit non-asymptotic confidence intervals for $\int f dμ_*$ when using a finite time ergodic average with given initial condition $μ$ and (b) uncertainty quantification (UQ) bounds, expressed in terms of relative entropy rate, on the bias of $\int f dμ_*$ when using an alternative or approximate processes $\widetilde{X}_t$. (Results in (b) generalize results (arXiv:1812.05174) from the authors for coercive dynamics.) The concentration inequality is proved by combining the approach via Feynman-Kac semigroups first noted by Wu with the hypocoercive estimates of Dolbeault, Mouhot and Schmeiser (arXiv:1005.1495) developed for the Langevin equation and generalized to partially deterministic Markov processes by Andrieu et al. (arXiv:1808.08592).

math.PR

Robust Generative Learning with Lipschitz-Regularized $α$-Divergences Allows Minimal Assumptions on Target Distributions

This paper demonstrates the robustness of Lipschitz-regularized $α$-divergences as objective functionals in generative modeling, showing they enable stable learning across a wide range of target distributions with minimal assumptions. We establish that these divergences remain finite under a mild condition-that the source distribution has a finite first moment-regardless of the properties of the target distribution, making them adaptable to the structure of target distributions. Furthermore, we prove the existence and finiteness of their variational derivatives, which are essential for stable training of generative models such as GANs and gradient flows. For heavy-tailed targets, we derive necessary and sufficient conditions that connect data dimension, $α$, and tail behavior to divergence finiteness, that also provide insights into the selection of suitable $α$'s. We also provide the first sample complexity bounds for empirical estimations of these divergences on unbounded domains. As a byproduct, we obtain the first sample complexity bounds for empirical estimations of these divergences and the Wasserstein-1 metric with group symmetry on unbounded domains. Numerical experiments confirm that generative models leveraging Lipschitz-regularized $α$-divergences can stably learn distributions in various challenging scenarios, including those with heavy tails or complex, low-dimensional, or fractal support, all without any prior knowledge of the structure of target distributions.

stat.ML

Proximal optimal transport divergences

We introduce the proximal optimal transport divergence, a novel discrepancy measure that interpolates between information divergences and optimal transport distances via an infimal convolution formulation. This divergence provides a principled foundation for optimal transport proximals and proximal optimization methods frequently used in generative modeling. We explore its mathematical properties, including smoothness, boundedness, and computational tractability, and establish connections to primal-dual formulations and adversarial learning. The proximal operator associated with the proximal optimal transport divergence can be interpreted as a transport map that pushes a reference distribution toward the optimal generative distribution, which approximates the target distribution that is only accessible through data samples. Building on the Benamou-Brenier dynamic formulation of classical optimal transport, we also establish a dynamic formulation for proximal OT divergences. The resulting dynamic formulation is a first order mean-field game whose optimality conditions are governed by a pair of nonlinear partial differential equations: a backward Hamilton-Jacobi equation and a forward continuity equation. Our framework generalizes existing approaches while offering new insights and computational tools for generative modeling, distributionally robust optimization, and gradient-based learning in probability spaces.

math.OC

Nonlinear denoising score matching for enhanced learning of structured distributions

We present a novel method for training score-based generative models which uses nonlinear noising dynamics to improve learning of structured distributions. Generalizing to a nonlinear drift allows for additional structure to be incorporated into the dynamics, thus making the training better adapted to the data, e.g., in the case of multimodality or (approximate) symmetries. Such structure can be obtained from the data by an inexpensive preprocessing step. The nonlinear dynamics introduces new challenges into training which we address in two ways: 1) we develop a new nonlinear denoising score matching (NDSM) method, 2) we introduce neural control variates in order to reduce the variance of the NDSM training objective. We demonstrate the effectiveness of this method on several examples: a) a collection of low-dimensional examples, motivated by clustering in latent space, b) high-dimensional images, addressing issues with mode imbalance, small training sets, and approximate symmetries, the latter being a challenge for methods based on equivariant neural networks, which require exact symmetries, c) latent space representation of high-dimensional data, demonstrating improved performance with greatly reduced computational cost. Our method learns score-based generative models with less data by flexibly incorporating structure arising in the dataset.

stat.ML

Statistical Guarantees of Group-Invariant GANs

This work presents the first statistical performance guarantees for group-invariant generative models. Many real data, such as images and molecules, are invariant to certain group symmetries, which can be taken advantage of to learn more efficiently as we rigorously demonstrate in this work. Here we specifically study generative adversarial networks (GANs), and quantify the gains when incorporating symmetries into the model. Group-invariant GANs are a type of GANs in which the generators and discriminators are hardwired with group symmetries. Empirical studies have shown that these networks are capable of learning group-invariant distributions with significantly improved data efficiency. In this study, we aim to rigorously quantify this improvement by analyzing the reduction in sample complexity and in the discriminator approximation error for group-invariant GANs. Our findings indicate that when learning group-invariant distributions, the number of samples required for group-invariant GANs decreases proportionally by a factor of the group size and the discriminator approximation error has a reduced lower bound. Importantly, the overall error reduction cannot be achieved merely through data augmentation on the training data. Numerical results substantiate our theory and highlight the stark contrast between learning with group-invariant GANs and using data augmentation. This work also sheds light on the study of other generative models with group symmetries, such as score-based generative models.

stat.ML

Sample Complexity of Probability Divergences under Group Symmetry

We rigorously quantify the improvement in the sample complexity of variational divergence estimations for group-invariant distributions. In the cases of the Wasserstein-1 metric and the Lipschitz-regularized $α$-divergences, the reduction of sample complexity is proportional to the group size if the group is finite. In addition to the published version at ICML 2023, our proof indeed has included the case when the group is infinite such as compact Lie groups, the convergence rate can be further improved and depends on the intrinsic dimension of the fundamental domain characterized by the scaling of its covering number. Our approach is different from that in [Tahmasebi & Jegelka, ICML 2024] and our work also applies to asymmetric divergences, such as the Lipschitz-regularized $α$-divergences. For the maximum mean discrepancy (MMD), the improvement of sample complexity is more nuanced, as it depends on not only the group size but also the choice of kernel. Numerical simulations verify our theories.

math.ST

Lipschitz-regularized gradient flows and generative particle algorithms for high-dimensional scarce data

We build a new class of generative algorithms capable of efficiently learning an arbitrary target distribution from possibly scarce, high-dimensional data and subsequently generate new samples. These generative algorithms are particle-based and are constructed as gradient flows of Lipschitz-regularized Kullback-Leibler or other $f$-divergences, where data from a source distribution can be stably transported as particles, towards the vicinity of the target distribution. As a highlighted result in data integration, we demonstrate that the proposed algorithms correctly transport gene expression data points with dimension exceeding 54K, while the sample size is typically only in the hundreds.

stat.ML

Combining Wasserstein-1 and Wasserstein-2 proximals: robust manifold learning via well-posed generative flows

We formulate well-posed continuous-time generative flows for learning distributions that are supported on low-dimensional manifolds through Wasserstein proximal regularizations of $f$-divergences. Wasserstein-1 proximal operators regularize $f$-divergences so that singular distributions can be compared. Meanwhile, Wasserstein-2 proximal operators regularize the paths of the generative flows by adding an optimal transport cost, i.e., a kinetic energy penalization. Via mean-field game theory, we show that the combination of the two proximals is critical for formulating well-posed generative flows. Generative flows can be analyzed through optimality conditions of a mean-field game (MFG), a system of a backward Hamilton-Jacobi (HJ) and a forward continuity partial differential equations (PDEs) whose solution characterizes the optimal generative flow. For learning distributions that are supported on low-dimensional manifolds, the MFG theory shows that the Wasserstein-1 proximal, which addresses the HJ terminal condition, and the Wasserstein-2 proximal, which addresses the HJ dynamics, are both necessary for the corresponding backward-forward PDE system to be well-defined and have a unique solution with provably linear flow trajectories. This implies that the corresponding generative flow is also unique and can therefore be learned in a robust manner even for learning high-dimensional distributions supported on low-dimensional manifolds. The generative flows are learned through adversarial training of continuous-time flows, which bypasses the need for reverse simulation. We demonstrate the efficacy of our approach for generating high-dimensional images without the need to resort to autoencoders or specialized architectures.

stat.ML

Function-space regularized Rényi divergences

We propose a new family of regularized Rényi divergences parametrized not only by the order $α$ but also by a variational function space. These new objects are defined by taking the infimal convolution of the standard Rényi divergence with the integral probability metric (IPM) associated with the chosen function space. We derive a novel dual variational representation that can be used to construct numerically tractable divergence estimators. This representation avoids risk-sensitive terms and therefore exhibits lower variance, making it well-behaved when $α>1$; this addresses a notable weakness of prior approaches. We prove several properties of these new divergences, showing that they interpolate between the classical Rényi divergences and IPMs. We also study the $α\to\infty$ limit, which leads to a regularized worst-case-regret and a new variational representation in the classical case. Moreover, we show that the proposed regularized Rényi divergences inherit features from IPMs such as the ability to compare distributions that are not absolutely continuous, e.g., empirical measures and distributions with low-dimensional support. We present numerical results on both synthetic and real datasets, showing the utility of these new divergences in both estimation and GAN training applications; in particular, we demonstrate significantly reduced variance and improved training performance.

stat.ML

Structure-preserving GANs

Generative adversarial networks (GANs), a class of distribution-learning methods based on a two-player game between a generator and a discriminator, can generally be formulated as a minmax problem based on the variational representation of a divergence between the unknown and the generated distributions. We introduce structure-preserving GANs as a data-efficient framework for learning distributions with additional structure such as group symmetry, by developing new variational representations for divergences. Our theory shows that we can reduce the discriminator space to its projection on the invariant discriminator space, using the conditional expectation with respect to the sigma-algebra associated to the underlying structure. In addition, we prove that the discriminator space reduction must be accompanied by a careful design of structured generators, as flawed designs may easily lead to a catastrophic "mode collapse" of the learned distribution. We contextualize our framework by building symmetry-preserving GANs for distributions with intrinsic group symmetry, and demonstrate that both players, namely the equivariant generator and invariant discriminator, play important but distinct roles in the learning process. Empirical experiments and ablation studies across a broad range of data sets, including real-world medical imaging, validate our theory, and show our proposed methods achieve significantly improved sample fidelity and diversity -- almost an order of magnitude measured in Fréchet Inception Distance -- especially in the small data regime.

cs.LG

$(f,Γ)$-Divergences: Interpolating between $f$-Divergences and Integral Probability Metrics

We develop a rigorous and general framework for constructing information-theoretic divergences that subsume both $f$-divergences and integral probability metrics (IPMs), such as the $1$-Wasserstein distance. We prove under which assumptions these divergences, hereafter referred to as $(f,Γ)$-divergences, provide a notion of `distance' between probability measures and show that they can be expressed as a two-stage mass-redistribution/mass-transport process. The $(f,Γ)$-divergences inherit features from IPMs, such as the ability to compare distributions which are not absolutely continuous, as well as from $f$-divergences, namely the strict concavity of their variational representations and the ability to control heavy-tailed distributions for particular choices of $f$. When combined, these features establish a divergence with improved properties for estimation, statistical learning, and uncertainty quantification applications. Using statistical learning as an example, we demonstrate their advantage in training generative adversarial networks (GANs) for heavy-tailed, not-absolutely continuous sample distributions. We also show improved performance and stability over gradient-penalized Wasserstein GAN in image generation.

stat.ML

Variational Representations and Neural Network Estimation of Rényi Divergences

We derive a new variational formula for the Rényi family of divergences, $R_α(Q\|P)$, between probability measures $Q$ and $P$. Our result generalizes the classical Donsker-Varadhan variational formula for the Kullback-Leibler divergence. We further show that this Rényi variational formula holds over a range of function spaces; this leads to a formula for the optimizer under very weak assumptions and is also key in our development of a consistency theory for Rényi divergence estimators. By applying this theory to neural-network estimators, we show that if a neural network family satisfies one of several strengthened versions of the universal approximation property then the corresponding Rényi divergence estimator is consistent. In contrast to density-estimator based methods, our estimators involve only expectations under $Q$ and $P$ and hence are more effective in high dimensional systems. We illustrate this via several numerical examples of neural network estimation in systems of up to 5000 dimensions.

stat.ML

Model Uncertainty and Correctability for Directed Graphical Models

Probabilistic graphical models are a fundamental tool in probabilistic modeling, machine learning and artificial intelligence. They allow us to integrate in a natural way expert knowledge, physical modeling, heterogeneous and correlated data and quantities of interest. For exactly this reason, multiple sources of model uncertainty are inherent within the modular structure of the graphical model. In this paper we develop information-theoretic, robust uncertainty quantification methods and non-parametric stress tests for directed graphical models to assess the effect and the propagation through the graph of multi-sourced model uncertainties to quantities of interest. These methods allow us to rank the different sources of uncertainty and correct the graphical model by targeting its most impactful components with respect to the quantities of interest. Thus, from a machine learning perspective, we provide a mathematically rigorous approach to correctability that guarantees a systematic selection for improvement of components of a graphical model while controlling potential new errors created in the process in other parts of the model. We demonstrate our methods in two physico-chemical examples, namely quantum scale-informed chemical kinetics and materials screening to improve the efficiency of fuel cells.

stat.ML

Positive feedback in coordination games: stochastic evolutionary dynamics and the logit choice rule

We study the problem of stochastic stability for evolutionary dynamics under the logit choice rule. We consider general classes of coordination games, symmetric or asymmetric, with an arbitrary number of strategies, which satisfies the marginal bandwagon property (i.e., there is positive feedback to coordinate). Our main result is that the most likely evolutionary escape paths from a status quo convention consist of a series of identical mistakes. As an application of our result, we show that the Nash bargaining solution arises as the long run convention for the evolutionary Nash demand game under the usual logit choice rule. We also obtain a new bargaining solution if the logit choice rule is combined with intentional idiosyncratic plays. The new bargaining solution is more egalitarian than the Nash bargaining solution, demonstrating that intentionality implies equality under the logit choice model.

cs.GT

Quantification of Model Uncertainty on Path-Space via Goal-Oriented Relative Entropy

Quantifying the impact of parametric and model-form uncertainty on the predictions of stochastic models is a key challenge in many applications. Previous work has shown that the relative entropy rate is an effective tool for deriving path-space uncertainty quantification (UQ) bounds on ergodic averages. In this work we identify appropriate information-theoretic objects for a wider range of quantities of interest on path-space, such as hitting times and exponentially discounted observables, and develop the corresponding UQ bounds. In addition, our method yields tighter UQ bounds, even in cases where previous relative-entropy-based methods also apply, e.g., for ergodic averages. We illustrate these results with examples from option pricing, non-reversible diffusion processes, stochastic control, semi-Markov queueing models, and expectations and distributions of hitting times.

math.PR

Uncertainty Quantification for Markov Processes via Variational Principles and Functional Inequalities

Information-theory based variational principles have proven effective at providing scalable uncertainty quantification (i.e. robustness) bounds for quantities of interest in the presence of nonparametric model-form uncertainty. In this work, we combine such variational formulas with functional inequalities (Poincar{é}, $\log$-Sobolev, Liapunov functions) to derive explicit uncertainty quantification bounds for time-averaged observables, comparing a Markov process to a second (not necessarily Markov) process. These bounds are well-behaved in the infinite-time limit and apply to steady-states of both discrete and continuous-time Markov processes.

math.PR

Strategic Decompositions of Normal Form Games: Zero-sum Games and Potential Games

We study new classes of games, called zero-sum equivalent games and zero-sum equivalent potential games, and prove decomposition theorems involving these classes of games. We say that two games are "strategically equivalent" if, for every player, the payoff differences between two strategies (holding other players' strategies fixed) are identical. A zero-sum equivalent game is a game that is strategically equivalent to a zero-sum game; a zero-sum equivalent potential game is a zero-sum equivalent game that is strategically equivalent to a common interest game. We also call a game "normalized" if the sum of one player's payoffs, given the other players' strategies, is always zero. We show that any normal form game can be uniquely decomposed into either (i) a zero-sum equivalent game and a normalized common interest game, or (ii) a zero-sum equivalent potential game, a normalized zero-sum game, and a normalized common interest game, each with distinctive equilibrium properties. For example, we show that two-player zero-sum equivalent games with finite strategy sets generically have a unique Nash equilibrium and that two-player zero-sum equivalent potential games with finite strategy sets generically have a strictly dominant Nash equilibrium.

cs.GT