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Denoising diffusion models have driven significant progress in the field of Bayesian inverse problems. Recent approaches use pre-trained diffusion models as priors to solve a wide range of such problems, only leveraging inference-time compute and thereby eliminating the need to retrain task-specific models on the same dataset. To approximate the posterior of a Bayesian inverse problem, a diffusion model samples from a sequence of intermediate posterior distributions, each with an intractable likelihood function. This work proposes a novel mixture approximation of these intermediate distributions. Since direct gradient-based sampling of these mixtures is infeasible due to intractable terms, we propose a practical method based on Gibbs sampling. We validate our approach through extensive experiments on image inverse problems, utilizing both pixel- and latent-space diffusion priors, as well as on source separation with an audio diffusion model. The code is available at https://www.github.com/badr-moufad/mgdm

The emergence of Machine Learning systems everywhere raises new challenges, such as dealing with interactions or competition between multiple learners. In that goal, we study multi-agent sequential decision-making by considering principal-agent interactions in a tree structure. In this problem, the reward of a player is influenced by the actions of her children, who are all self-interested and non-cooperative. Our main finding is that it is possible to steer all the players towards the globally optimal set of actions by simply allowing single-step contracts between them. A contract is established between a principal and one of her agents: the principal actually offers the proposed payment if the agent picks the recommended action. The analysis poses specific challenges due to the intricate interactions between the nodes of the tree. Within a bandit setup, we propose algorithmic solutions for the players to end up being no-regret with respect to the optimal pair of actions and contracts. In the long run, allowing contracts makes the players act as if they were collaborating together, although they remain non-cooperative.

The framework of uncoupled online learning in multiplayer games has made significant progress in recent years. In particular, the development of time-varying games has considerably expanded its modeling capabilities. However, current regret bounds quickly become vacuous when the game undergoes significant variations over time, even when these variations are easy to predict. Intuitively, the ability of players to forecast future payoffs should lead to tighter guarantees, yet existing approaches fail to incorporate this aspect. This work aims to fill this gap by introducing a novel prediction-aware framework for time-varying games, where agents can forecast future payoffs and adapt their strategies accordingly. In this framework, payoffs depend on an underlying state of nature that agents predict in an online manner. To leverage these predictions, we propose the POWMU algorithm, a contextual extension of the optimistic Multiplicative Weight Update algorithm, for which we establish theoretical guarantees on social welfare and convergence to equilibrium. Our results demonstrate that, under bounded prediction errors, the proposed framework achieves performance comparable to the static setting. Finally, we empirically demonstrate the effectiveness of POWMU in a traffic routing experiment.

In this paper, we present a novel analysis of FedAvg with constant step size, relying on the Markov property of the underlying process. We demonstrate that the global iterates of the algorithm converge to a stationary distribution and analyze its resulting bias and variance relative to the problem's solution. We provide a first-order expansion of the bias in both homogeneous and heterogeneous settings. Interestingly, this bias decomposes into two distinct components: one that depends solely on stochastic gradient noise and another on client heterogeneity. Finally, we introduce a new algorithm based on the Richardson-Romberg extrapolation technique to mitigate this bias., Comment: 37 pages

Image watermarking methods are not tailored to handle small watermarked areas. This restricts applications in real-world scenarios where parts of the image may come from different sources or have been edited. We introduce a deep-learning model for localized image watermarking, dubbed the Watermark Anything Model (WAM). The WAM embedder imperceptibly modifies the input image, while the extractor segments the received image into watermarked and non-watermarked areas and recovers one or several hidden messages from the areas found to be watermarked. The models are jointly trained at low resolution and without perceptual constraints, then post-trained for imperceptibility and multiple watermarks. Experiments show that WAM is competitive with state-of-the art methods in terms of imperceptibility and robustness, especially against inpainting and splicing, even on high-resolution images. Moreover, it offers new capabilities: WAM can locate watermarked areas in spliced images and extract distinct 32-bit messages with less than 1 bit error from multiple small regions - no larger than 10% of the image surface - even for small $256\times 256$ images., Comment: Under review. Code at https://github.com/facebookresearch/watermark-anything

Over the past few years, several approaches utilizing score-based diffusion have been proposed to sample from probability distributions, that is without having access to exact samples and relying solely on evaluations of unnormalized densities. The resulting samplers approximate the time-reversal of a noising diffusion process, bridging the target distribution to an easy-to-sample base distribution. In practice, the performance of these methods heavily depends on key hyperparameters that require ground truth samples to be accurately tuned. Our work aims to highlight and address this fundamental issue, focusing in particular on multi-modal distributions, which pose significant challenges for existing sampling methods. Building on existing approaches, we introduce Learned Reference-based Diffusion Sampler (LRDS), a methodology specifically designed to leverage prior knowledge on the location of the target modes in order to bypass the obstacle of hyperparameter tuning. LRDS proceeds in two steps by (i) learning a reference diffusion model on samples located in high-density space regions and tailored for multimodality, and (ii) using this reference model to foster the training of a diffusion-based sampler. We experimentally demonstrate that LRDS best exploits prior knowledge on the target distribution compared to competing algorithms on a variety of challenging distributions., Comment: Under review

Reinforcement Learning from Human Feedback (RLHF) has become a popular approach to align language models (LMs) with human preferences. This method involves collecting a large dataset of human pairwise preferences across various text generations and using it to infer (implicitly or explicitly) a reward model. Numerous methods have been proposed to learn the reward model and align a LM with it. However, the costly process of collecting human preferences has received little attention and could benefit from theoretical insights. This paper addresses this issue and aims to formalize the reward training model in RLHF. We frame the selection of an effective dataset as a simple regret minimization task, using a linear contextual dueling bandit method. Given the potentially large number of arms, this approach is more coherent than the best-arm identification setting. We then propose an offline framework for solving this problem. Under appropriate assumptions - linearity of the reward model in the embedding space, and boundedness of the reward parameter - we derive bounds on the simple regret. Finally, we provide a lower bound that matches our upper bound up to constant and logarithmic terms. To our knowledge, this is the first theoretical contribution in this area to provide an offline approach as well as worst-case guarantees.

Diffusion models have recently shown considerable potential in solving Bayesian inverse problems when used as priors. However, sampling from the resulting denoising posterior distributions remains a challenge as it involves intractable terms. To tackle this issue, state-of-the-art approaches formulate the problem as that of sampling from a surrogate diffusion model targeting the posterior and decompose its scores into two terms: the prior score and an intractable guidance term. While the former is replaced by the pre-trained score of the considered diffusion model, the guidance term has to be estimated. In this paper, we propose a novel approach that utilises a decomposition of the transitions which, in contrast to previous methods, allows a trade-off between the complexity of the intractable guidance term and that of the prior transitions. We validate the proposed approach through extensive experiments on linear and nonlinear inverse problems, including challenging cases with latent diffusion models as priors. We then demonstrate its applicability to various modalities and its promising impact on public health by tackling cardiovascular disease diagnosis through the reconstruction of incomplete electrocardiograms. The code is publicly available at \url{https://github.com/yazidjanati/mgps}.

We address the problem of solving strongly convex and smooth minimization problems using stochastic gradient descent (SGD) algorithm with a constant step size. Previous works suggested to combine the Polyak-Ruppert averaging procedure with the Richardson-Romberg extrapolation technique to reduce the asymptotic bias of SGD at the expense of a mild increase of the variance. We significantly extend previous results by providing an expansion of the mean-squared error of the resulting estimator with respect to the number of iterations $n$. More precisely, we show that the mean-squared error can be decomposed into the sum of two terms: a leading one of order $\mathcal{O}(n^{-1/2})$ with explicit dependence on a minimax-optimal asymptotic covariance matrix, and a second-order term of order $\mathcal{O}(n^{-3/4})$ where the power $3/4$ can not be improved in general. We also extend this result to the $p$-th moment bound keeping optimal scaling of the remainders with respect to $n$. Our analysis relies on the properties of the SGD iterates viewed as a time-homogeneous Markov chain. In particular, we establish that this chain is geometrically ergodic with respect to a suitably defined weighted Wasserstein semimetric.

Vehicle-to-everything (V2X) communication technology is revolutionizing transportation by enabling interactions between vehicles, devices, and infrastructures. This connectivity enhances road safety, transportation efficiency, and driver assistance systems. V2X benefits from Machine Learning, enabling real-time data analysis, better decision-making, and improved traffic predictions, making transportation safer and more efficient. In this paper, we study the problem of joint channel selection, where vehicles with different technologies choose one or more Access Points (APs) to transmit messages in a network. In this problem, vehicles must learn a strategy for channel selection, based on observations that incorporate vehicles' information (position and speed), network and communication data (Signal-to-Interference-plus-Noise Ratio from past communications), and environmental data (road type). We propose an approach based on Federated Deep Reinforcement Learning (FedDRL), which enables each vehicle to benefit from other vehicles' experiences. Specifically, we apply the federated Proximal Policy Optimization (FedPPO) algorithm to this task. We show that this method improves communication reliability while minimizing transmission costs and channel switches. The efficiency of the proposed solution is assessed via realistic simulations, highlighting the potential of FedDRL to advance V2X technology.

This article aims at quantifying the long time behavior of solutions of mean field PDE systems arising in the theory of Mean Field Games and McKean-Vlasov control. Our main contribution is to show well-posedness of the ergodic problem and the exponential turnpike property of dynamic optimizers, which implies exponential convergence to equilibrium for both optimal states and controls to their ergodic counterparts. In contrast with previous works that require some version of the Lasry-Lions monotonicity condition, our main assumption is a weak form of asymptotic monotonicity on the drift of the controlled dynamics and some basic regularity and smallness conditions on the interaction terms. Our proof strategy is probabilistic and based on the construction of contractive couplings between controlled processes and forward-backward stochastic differential equations. The flexibility of the coupling approach allows us to cover several interesting situations. For example, we do not need to restrict ourselves to compact domains and can work on the whole space $\mathbb{R}^d$, we can cover the case of non-constant diffusion coefficients and we can sometimes show turnpike estimates for the hessians of solutions to the backward equation., Comment: 58 pages

Flow Matching (FM) (also referred to as stochastic interpolants or rectified flows) stands out as a class of generative models that aims to bridge in finite time the target distribution $\nu^\star$ with an auxiliary distribution $\mu$, leveraging a fixed coupling $\pi$ and a bridge which can either be deterministic or stochastic. These two ingredients define a path measure which can then be approximated by learning the drift of its Markovian projection. The main contribution of this paper is to provide relatively mild assumptions on $\nu^\star$, $\mu$ and $\pi$ to obtain non-asymptotics guarantees for Diffusion Flow Matching (DFM) models using as bridge the conditional distribution associated with the Brownian motion. More precisely, we establish bounds on the Kullback-Leibler divergence between the target distribution and the one generated by such DFM models under moment conditions on the score of $\nu^\star$, $\mu$ and $\pi$, and a standard $L^2$-drift-approximation error assumption.

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., Comment: NeurIPS 2024

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.

Collaborative learning offers a promising avenue for leveraging decentralized data. However, collaboration in groups of strategic learners is not a given. In this work, we consider strategic agents who wish to train a model together but have sampling distributions of different quality. The collaboration is organized by a benevolent aggregator who gathers samples so as to maximize total welfare, but is unaware of data quality. This setting allows us to shed light on the deleterious effect of adverse selection in collaborative learning. More precisely, we demonstrate that when data quality indices are private, the coalition may undergo a phenomenon known as unravelling, wherein it shrinks up to the point that it becomes empty or solely comprised of the worst agent. We show how this issue can be addressed without making use of external transfers, by proposing a novel method inspired by probabilistic verification. This approach makes the grand coalition a Nash equilibrium with high probability despite information asymmetry, thereby breaking unravelling.

In economic theory, the concept of externality refers to any indirect effect resulting from an interaction between players that affects the social welfare. Most of the models within which externality has been studied assume that agents have perfect knowledge of their environment and preferences. This is a major hindrance to the practical implementation of many proposed solutions. To address this issue, we consider a two-player bandit setting where the actions of one of the players affect the other player and we extend the Coase theorem [Coase, 1960]. This result shows that the optimal approach for maximizing the social welfare in the presence of externality is to establish property rights, i.e., enable transfers and bargaining between the players. Our work removes the classical assumption that bargainers possess perfect knowledge of the underlying game. We first demonstrate that in the absence of property rights, the social welfare breaks down. We then design a policy for the players which allows them to learn a bargaining strategy which maximizes the total welfare, recovering the Coase theorem under uncertainty.

Variational inference (VI) is a popular approach in Bayesian inference, that looks for the best approximation of the posterior distribution within a parametric family, minimizing a loss that is typically the (reverse) Kullback-Leibler (KL) divergence. Despite its empirical success, the theoretical properties of VI have only received attention recently, and mostly when the parametric family is the one of Gaussians. This work aims to contribute to the theoretical study of VI in the non-Gaussian case by investigating the setting of Mixture of Gaussians with fixed covariance and constant weights. In this view, VI over this specific family can be casted as the minimization of a Mollified relative entropy, i.e. the KL between the convolution (with respect to a Gaussian kernel) of an atomic measure supported on Diracs, and the target distribution. The support of the atomic measure corresponds to the localization of the Gaussian components. Hence, solving variational inference becomes equivalent to optimizing the positions of the Diracs (the particles), which can be done through gradient descent and takes the form of an interacting particle system. We study two sources of error of variational inference in this context when optimizing the mollified relative entropy. The first one is an optimization result, that is a descent lemma establishing that the algorithm decreases the objective at each iteration. The second one is an approximation error, that upper bounds the objective between an optimal finite mixture and the target distribution.

Recent advancements in solving Bayesian inverse problems have spotlighted denoising diffusion models (DDMs) as effective priors. Although these have great potential, DDM priors yield complex posterior distributions that are challenging to sample. Existing approaches to posterior sampling in this context address this problem either by retraining model-specific components, leading to stiff and cumbersome methods, or by introducing approximations with uncontrolled errors that affect the accuracy of the produced samples. We present an innovative framework, divide-and-conquer posterior sampling, which leverages the inherent structure of DDMs to construct a sequence of intermediate posteriors that guide the produced samples to the target posterior. Our method significantly reduces the approximation error associated with current techniques without the need for retraining. We demonstrate the versatility and effectiveness of our approach for a wide range of Bayesian inverse problems. The code is available at \url{https://github.com/Badr-MOUFAD/dcps}, Comment: Updated version with significant updates

This work considers a repeated principal-agent bandit game, where the principal can only interact with her environment through the agent. The principal and the agent have misaligned objectives and the choice of action is only left to the agent. However, the principal can influence the agent's decisions by offering incentives which add up to his rewards. The principal aims to iteratively learn an incentive policy to maximize her own total utility. This framework extends usual bandit problems and is motivated by several practical applications, such as healthcare or ecological taxation, where traditionally used mechanism design theories often overlook the learning aspect of the problem. We present nearly optimal (with respect to a horizon $T$) learning algorithms for the principal's regret in both multi-armed and linear contextual settings. Finally, we support our theoretical guarantees through numerical experiments.

Differentially private (DP) machine learning is considered the gold-standard solution for training a model from sensitive data while still preserving privacy. However, a major barrier to achieving this ideal is its sub-optimal privacy-accuracy trade-off, which is particularly visible in DP representation learning. Specifically, it has been shown that under modest privacy budgets, most models learn representations that are not significantly better than hand-crafted features. In this work, we show that effective DP representation learning can be done via image captioning and scaling up to internet-scale multimodal datasets. Through a series of engineering tricks, we successfully train a DP image captioner (DP-Cap) on a 233M subset of LAION-2B from scratch using a reasonable amount of computation, and obtaining unprecedented high-quality image features that can be used in a variety of downstream vision and vision-language tasks. For example, under a privacy budget of $\varepsilon=8$ for the LAION dataset, a linear classifier trained on top of learned DP-Cap features attains $65.8\%$ accuracy on ImageNet-1K, considerably improving the previous SOTA of $56.5\%$., Comment: Accepted and presented at ICML 2024

The expectation maximization (EM) algorithm is a widespread method for empirical Bayesian inference, but its expectation step (E-step) is often intractable. Employing a stochastic approximation scheme with Markov chain Monte Carlo (MCMC) can circumvent this issue, resulting in an algorithm known as MCMC-SAEM. While theoretical guarantees for MCMC-SAEM have previously been established, these results are restricted to the case where asymptotically unbiased MCMC algorithms are used. In practice, MCMC-SAEM is often run with asymptotically biased MCMC, for which the consequences are theoretically less understood. In this work, we fill this gap by analyzing the asymptotics and non-asymptotics of SAEM with biased MCMC steps, particularly the effect of bias. We also provide numerical experiments comparing the Metropolis-adjusted Langevin algorithm (MALA), which is asymptotically unbiased, and the unadjusted Langevin algorithm (ULA), which is asymptotically biased, on synthetic and real datasets. Experimental results show that ULA is more stable with respect to the choice of Langevin stepsize and can sometimes result in faster convergence., Comment: Accepted to AISTATS'24

We investigate the radioactivity of text generated by large language models (LLM), i.e. whether it is possible to detect that such synthetic input was used to train a subsequent LLM. Current methods like membership inference or active IP protection either work only in settings where the suspected text is known or do not provide reliable statistical guarantees. We discover that, on the contrary, it is possible to reliably determine if a language model was trained on synthetic data if that data is output by a watermarked LLM. Our new methods, specialized for radioactivity, detects with a provable confidence weak residuals of the watermark signal in the fine-tuned LLM. We link the radioactivity contamination level to the following properties: the watermark robustness, its proportion in the training set, and the fine-tuning process. For instance, if the suspect model is open-weight, we demonstrate that training on watermarked instructions can be detected with high confidence ($p$-value $< 10^{-5}$) even when as little as $5\%$ of training text is watermarked., Comment: Published at NeurIPS 2024 (Spotlight). Code at https://github.com/facebookresearch/radioactive-watermark - webpage at https://pierrefdz.github.io/publications/radioactive/

Building upon score-based learning, new interest in stochastic localization techniques has recently emerged. In these models, one seeks to noise a sample from the data distribution through a stochastic process, called observation process, and progressively learns a denoiser associated to this dynamics. Apart from specific applications, the use of stochastic localization for the problem of sampling from an unnormalized target density has not been explored extensively. This work contributes to fill this gap. We consider a general stochastic localization framework and introduce an explicit class of observation processes, associated with flexible denoising schedules. We provide a complete methodology, $\textit{Stochastic Localization via Iterative Posterior Sampling}$ (SLIPS), to obtain approximate samples of this dynamics, and as a by-product, samples from the target distribution. Our scheme is based on a Markov chain Monte Carlo estimation of the denoiser and comes with detailed practical guidelines. We illustrate the benefits and applicability of SLIPS on several benchmarks of multi-modal distributions, including Gaussian mixtures in increasing dimensions, Bayesian logistic regression and a high-dimensional field system from statistical-mechanics., Comment: Accepted at ICML 2024

Training Deep Neural Networks (DNNs) with small batches using Stochastic Gradient Descent (SGD) yields superior test performance compared to larger batches. The specific noise structure inherent to SGD is known to be responsible for this implicit bias. DP-SGD, used to ensure differential privacy (DP) in DNNs' training, adds Gaussian noise to the clipped gradients. Surprisingly, large-batch training still results in a significant decrease in performance, which poses an important challenge because strong DP guarantees necessitate the use of massive batches. We first show that the phenomenon extends to Noisy-SGD (DP-SGD without clipping), suggesting that the stochasticity (and not the clipping) is the cause of this implicit bias, even with additional isotropic Gaussian noise. We theoretically analyse the solutions obtained with continuous versions of Noisy-SGD for the Linear Least Square and Diagonal Linear Network settings, and reveal that the implicit bias is indeed amplified by the additional noise. Thus, the performance issues of large-batch DP-SGD training are rooted in the same underlying principles as SGD, offering hope for potential improvements in large batch training strategies.

In this paper, we analyze a large class of general nonlinear state-space models on a state-space X, defined by the recursion $\phi_{k+1} = F(\phi_k,\alpha(\phi_k,U_{k+1}))$, $k \in\bN$, where $F,\alpha$ are some functions and $\{U_{k+1}\}_{k\in\bN}$ is a sequence of i.i.d. random variables. More precisely, we extend conditions under which this class of Markov chains is irreducible, aperiodic and satisfies important continuity properties, relaxing two key assumptions from prior works. First, the state-space X is supposed to be a smooth manifold instead of an open subset of a Euclidean space. Second, we only suppose that $F is locally Lipschitz continuous. We demonstrate the significance of our results through their application to Markov chains underlying optimization algorithms. These schemes belong to the class of evolution strategies with covariance matrix adaptation and step-size adaptation.

We propose a theoretically justified and practically applicable slice sampling based Markov chain Monte Carlo (MCMC) method for approximate sampling from probability measures on Riemannian manifolds. The latter naturally arise as posterior distributions in Bayesian inference of matrix-valued parameters, for example belonging to either the Stiefel or the Grassmann manifold. Our method, called geodesic slice sampling, is reversible with respect to the distribution of interest, and generalizes Hit-and-run slice sampling on $\mathbb{R}^{d}$ to Riemannian manifolds by using geodesics instead of straight lines. We demonstrate the robustness of our sampler's performance compared to other MCMC methods dealing with manifold valued distributions through extensive numerical experiments, on both synthetic and real data. In particular, we illustrate its remarkable ability to cope with anisotropic target densities, without using gradient information and preconditioning., Comment: Journal paper of 51 pages with appendix

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., Comment: In Neural Information Processing Systems (NeurIPS), Spotlight Presentation, 2023

Diffusion models are a new class of generative models that revolve around the estimation of the score function associated with a stochastic differential equation. Subsequent to its acquisition, the approximated score function is then harnessed to simulate the corresponding time-reversal process, ultimately enabling the generation of approximate data samples. Despite their evident practical significance these models carry, a notable challenge persists in the form of a lack of comprehensive quantitative results, especially in scenarios involving non-regular scores and estimators. In almost all reported bounds in Kullback Leibler (KL) divergence, it is assumed that either the score function or its approximation is Lipschitz uniformly in time. However, this condition is very restrictive in practice or appears to be difficult to establish. To circumvent this issue, previous works mainly focused on establishing convergence bounds in KL for an early stopped version of the diffusion model and a smoothed version of the data distribution, or assuming that the data distribution is supported on a compact manifold. These explorations have led to interesting bounds in either Wasserstein or Fortet-Mourier metrics. However, the question remains about the relevance of such early-stopping procedure or compactness conditions. In particular, if there exist a natural and mild condition ensuring explicit and sharp convergence bounds in KL. In this article, we tackle the aforementioned limitations by focusing on score diffusion models with fixed step size stemming from the Ornstein-Uhlenbeck semigroup and its kinetic counterpart. Our study provides a rigorous analysis, yielding simple, improved and sharp convergence bounds in KL applicable to any data distribution with finite Fisher information with respect to the standard Gaussian distribution.

In this paper, we introduce and analyze a variant of the Thompson sampling (TS) algorithm for contextual bandits. At each round, traditional TS requires samples from the current posterior distribution, which is usually intractable. To circumvent this issue, approximate inference techniques can be used and provide samples with distribution close to the posteriors. However, current approximate techniques yield to either poor estimation (Laplace approximation) or can be computationally expensive (MCMC methods, Ensemble sampling...). In this paper, we propose a new algorithm, Varational Inference Thompson sampling VITS, based on Gaussian Variational Inference. This scheme provides powerful posterior approximations which are easy to sample from, and is computationally efficient, making it an ideal choice for TS. In addition, we show that VITS achieves a sub-linear regret bound of the same order in the dimension and number of round as traditional TS for linear contextual bandit. Finally, we demonstrate experimentally the effectiveness of VITS on both synthetic and real world datasets.

There is substantial empirical evidence about the success of dynamic implementations of Hamiltonian Monte Carlo (HMC), such as the No U-Turn Sampler (NUTS), in many challenging inference problems but theoretical results about their behavior are scarce. The aim of this paper is to fill this gap. More precisely, we consider a general class of MCMC algorithms we call dynamic HMC. We show that this general framework encompasses NUTS as a particular case, implying the invariance of the target distribution as a by-product. Second, we establish conditions under which NUTS is irreducible and aperiodic and as a corrolary ergodic. Under conditions similar to the ones existing for HMC, we also show that NUTS is geometrically ergodic. Finally, we improve existing convergence results for HMC showing that this method is ergodic without any boundedness condition on the stepsize and the number of leapfrog steps, in the case where the target is a perturbation of a Gaussian distribution., Comment: 24 pages without appendix and references, 2 figures, a future journal paper

This paper provides a convergence analysis for generalized Hamiltonian Monte Carlo samplers, a family of Markov Chain Monte Carlo methods based on leapfrog integration of Hamiltonian dynamics and kinetic Langevin diffusion, that encompasses the unadjusted Hamiltonian Monte Carlo method. Assuming that the target distribution $\pi$ satisfies a log-Sobolev inequality and mild conditions on the corresponding potential function, we establish quantitative bounds on the relative entropy of the iterates defined by the algorithm, with respect to $\pi$. Our approach is based on a perturbative and discrete version of the modified entropy method developed to establish hypocoercivity for the continuous-time kinetic Langevin process. As a corollary of our main result, we are able to derive complexity bounds for the class of algorithms at hand. In particular, we show that the total number of iterations to achieve a target accuracy $\varepsilon >0$ is of order $d/\varepsilon^{1/4}$, where $d$ is the dimension of the problem. This result can be further improved in the case of weakly interacting mean field potentials, for which we find a total number of iterations of order $(d/\varepsilon)^{1/4}$.

Multi-marginal Optimal Transport (mOT), a generalization of OT, aims at minimizing the integral of a cost function with respect to a distribution with some prescribed marginals. In this paper, we consider an entropic version of mOT with a tree-structured quadratic cost, i.e., a function that can be written as a sum of pairwise cost functions between the nodes of a tree. To address this problem, we develop Tree-based Diffusion Schr\"odinger Bridge (TreeDSB), an extension of the Diffusion Schr\"odinger Bridge (DSB) algorithm. TreeDSB corresponds to a dynamic and continuous state-space counterpart of the multimarginal Sinkhorn algorithm. A notable use case of our methodology is to compute Wasserstein barycenters which can be recast as the solution of a mOT problem on a star-shaped tree. We demonstrate that our methodology can be applied in high-dimensional settings such as image interpolation and Bayesian fusion.

Computational optimal transport (OT) has recently emerged as a powerful framework with applications in various fields. In this paper we focus on a relaxation of the original OT problem, the entropic OT problem, which allows to implement efficient and practical algorithmic solutions, even in high dimensional settings. This formulation, also known as the Schr\"odinger Bridge problem, notably connects with Stochastic Optimal Control (SOC) and can be solved with the popular Sinkhorn algorithm. In the case of discrete-state spaces, this algorithm is known to have exponential convergence; however, achieving a similar rate of convergence in a more general setting is still an active area of research. In this work, we analyze the convergence of the Sinkhorn algorithm for probability measures defined on the $d$-dimensional torus $\mathbb{T}_L^d$, that admit densities with respect to the Haar measure of $\mathbb{T}_L^d$. In particular, we prove pointwise exponential convergence of Sinkhorn iterates and their gradient. Our proof relies on the connection between these iterates and the evolution along the Hamilton-Jacobi-Bellman equations of value functions obtained from SOC-problems. Our approach is novel in that it is purely probabilistic and relies on coupling by reflection techniques for controlled diffusions on the torus., Comment: version accepted to COLT 2023

We show non-asymptotic exponential convergence of Sinkhorn iterates to the Schr\"odinger potentials, solutions of the quadratic Entropic Optimal Transport problem on $\mathbb{R}^d$. Our results hold under mild assumptions on the marginal inputs: in particular, we only assume that they admit an asymptotically positive log-concavity profile, covering as special cases log-concave distributions and bounded smooth perturbations of quadratic potentials. Up to the authors' knowledge, these are the first results which establish exponential convergence of Sinkhorn's algorithm in a general setting without assuming bounded cost functions or compactly supported marginals., Comment: 34 pages, simplified presentation of main results, added explicit expression for the exponential convergence rates and added stronger results in the log-concave setting

In this paper, we establish novel deviation bounds for additive functionals of geometrically ergodic Markov chains similar to Rosenthal and Bernstein inequalities for sums of independent random variables. We pay special attention to the dependence of our bounds on the mixing time of the corresponding chain. More precisely, we establish explicit bounds that are linked to the constants from the martingale version of the Rosenthal inequality, as well as the constants that characterize the mixing properties of the underlying Markov kernel. Finally, our proof technique is, up to our knowledge, new and based on a recurrent application of the Poisson decomposition.

Transport maps can ease the sampling of distributions with non-trivial geometries by transforming them into distributions that are easier to handle. The potential of this approach has risen with the development of Normalizing Flows (NF) which are maps parameterized with deep neural networks trained to push a reference distribution towards a target. NF-enhanced samplers recently proposed blend (Markov chain) Monte Carlo methods with either (i) proposal draws from the flow or (ii) a flow-based reparametrization. In both cases, the quality of the learned transport conditions performance. The present work clarifies for the first time the relative strengths and weaknesses of these two approaches. Our study concludes that multimodal targets can be reliably handled with flow-based proposals up to moderately high dimensions. In contrast, methods relying on reparametrization struggle with multimodality but are more robust otherwise in high-dimensional settings and under poor training. To further illustrate the influence of target-proposal adequacy, we also derive a new quantitative bound for the mixing time of the Independent Metropolis-Hastings sampler.

We consider a recently proposed class of MCMC methods which uses proximity maps instead of gradients to build proposal mechanisms which can be employed for both differentiable and non-differentiable targets. These methods have been shown to be stable for a wide class of targets, making them a valuable alternative to Metropolis-adjusted Langevin algorithms (MALA); and have found wide application in imaging contexts. The wider stability properties are obtained by building the Moreau-Yosida envelope for the target of interest, which depends on a parameter $\lambda$. In this work, we investigate the optimal scaling problem for this class of algorithms, which encompasses MALA, and provide practical guidelines for the implementation of these methods.

This paper focuses on Bayesian inference in a federated learning context (FL). While several distributed MCMC algorithms have been proposed, few consider the specific limitations of FL such as communication bottlenecks and statistical heterogeneity. Recently, Federated Averaging Langevin Dynamics (FALD) was introduced, which extends the Federated Averaging algorithm to Bayesian inference. We obtain a novel tight non-asymptotic upper bound on the Wasserstein distance to the global posterior for FALD. This bound highlights the effects of statistical heterogeneity, which causes a drift in the local updates that negatively impacts convergence. We propose a new algorithm VR-FALD* that uses control variates to correct the client drift. We establish non-asymptotic bounds showing that VR-FALD* is not affected by statistical heterogeneity. Finally, we illustrate our results on several FL benchmarks for Bayesian inference., Comment: 58 pages

In this paper, we propose Barrier Hamiltonian Monte Carlo (BHMC), a version of the HMC algorithm which aims at sampling from a Gibbs distribution $\pi$ on a manifold $\mathrm{M}$, endowed with a Hessian metric $\mathfrak{g}$ derived from a self-concordant barrier. Our method relies on Hamiltonian dynamics which comprises $\mathfrak{g}$. Therefore, it incorporates the constraints defining $\mathrm{M}$ and is able to exploit its underlying geometry. However, the corresponding Hamiltonian dynamics is defined via non separable Ordinary Differential Equations (ODEs) in contrast to the Euclidean case. It implies unavoidable bias in existing generalization of HMC to Riemannian manifolds. In this paper, we propose a new filter step, called "involution checking step", to address this problem. This step is implemented in two versions of BHMC, coined continuous BHMC (c-BHMC) and numerical BHMC (n-BHMC) respectively. Our main results establish that these two new algorithms generate reversible Markov chains with respect to $\pi$ and do not suffer from any bias in comparison to previous implementations. Our conclusions are supported by numerical experiments where we consider target distributions defined on polytopes.

This paper provides a finite-time analysis of linear stochastic approximation (LSA) algorithms with fixed step size, a core method in statistics and machine learning. LSA is used to compute approximate solutions of a $d$-dimensional linear system $\bar{\mathbf{A}} \theta = \bar{\mathbf{b}}$ for which $(\bar{\mathbf{A}}, \bar{\mathbf{b}})$ can only be estimated by (asymptotically) unbiased observations $\{(\mathbf{A}(Z_n),\mathbf{b}(Z_n))\}_{n \in \mathbb{N}}$. We consider here the case where $\{Z_n\}_{n \in \mathbb{N}}$ is an i.i.d. sequence or a uniformly geometrically ergodic Markov chain. We derive $p$-th moment and high-probability deviation bounds for the iterates defined by LSA and its Polyak-Ruppert-averaged version. Our finite-time instance-dependent bounds for the averaged LSA iterates are sharp in the sense that the leading term we obtain coincides with the local asymptotic minimax limit. Moreover, the remainder terms of our bounds admit a tight dependence on the mixing time $t_{\operatorname{mix}}$ of the underlying chain and the norm of the noise variables. We emphasize that our result requires the SA step size to scale only with logarithm of the problem dimension $d$.

This paper studies the Variational Inference (VI) used for training Bayesian Neural Networks (BNN) in the overparameterized regime, i.e., when the number of neurons tends to infinity. More specifically, we consider overparameterized two-layer BNN and point out a critical issue in the mean-field VI training. This problem arises from the decomposition of the lower bound on the evidence (ELBO) into two terms: one corresponding to the likelihood function of the model and the second to the Kullback-Leibler (KL) divergence between the prior distribution and the variational posterior. In particular, we show both theoretically and empirically that there is a trade-off between these two terms in the overparameterized regime only when the KL is appropriately re-scaled with respect to the ratio between the the number of observations and neurons. We also illustrate our theoretical results with numerical experiments that highlight the critical choice of this ratio.

Personalised federated learning (FL) aims at collaboratively learning a machine learning model taylored for each client. Albeit promising advances have been made in this direction, most of existing approaches works do not allow for uncertainty quantification which is crucial in many applications. In addition, personalisation in the cross-device setting still involves important issues, especially for new clients or those having small number of observations. This paper aims at filling these gaps. To this end, we propose a novel methodology coined FedPop by recasting personalised FL into the population modeling paradigm where clients' models involve fixed common population parameters and random effects, aiming at explaining data heterogeneity. To derive convergence guarantees for our scheme, we introduce a new class of federated stochastic optimisation algorithms which relies on Markov chain Monte Carlo methods. Compared to existing personalised FL methods, the proposed methodology has important benefits: it is robust to client drift, practical for inference on new clients, and above all, enables uncertainty quantification under mild computational and memory overheads. We provide non-asymptotic convergence guarantees for the proposed algorithms and illustrate their performances on various personalised federated learning tasks.

We develop a new approach to study the long time behaviour of solutions to nonlinear stochastic differential equations in the sense of McKean, as well as propagation of chaos for the corresponding mean-field particle system approximations. Our approach is based on a sticky coupling between two solutions to the equation. We show that the distance process between the two copies is dominated by a solution to a one-dimensional nonlinear stochastic differential equation with a sticky boundary at zero. This new class of equations is then analyzed carefully. In particular, we show that the dominating equation has a phase transition. In the regime where the Dirac measure at zero is the only invariant probability measure, we prove exponential convergence to equilibrium both for the one-dimensional equation, and for the original nonlinear SDE. Similarly, propagation of chaos is shown by a componentwise sticky coupling and comparison with a system of one dimensional nonlinear SDEs with sticky boundaries at zero. The approach applies to equations without confinement potential and to interaction terms that are not of gradient type., Comment: 46 pages

Bayesian methods to solve imaging inverse problems usually combine an explicit data likelihood function with a prior distribution that explicitly models expected properties of the solution. Many kinds of priors have been explored in the literature, from simple ones expressing local properties to more involved ones exploiting image redundancy at a non-local scale. In a departure from explicit modelling, several recent works have proposed and studied the use of implicit priors defined by an image denoising algorithm. This approach, commonly known as Plug & Play (PnP) regularisation, can deliver remarkably accurate results, particularly when combined with state-of-the-art denoisers based on convolutional neural networks. However, the theoretical analysis of PnP Bayesian models and algorithms is difficult and works on the topic often rely on unrealistic assumptions on the properties of the image denoiser. This papers studies maximum-a-posteriori (MAP) estimation for Bayesian models with PnP priors. We first consider questions related to existence, stability and well-posedness, and then present a convergence proof for MAP computation by PnP stochastic gradient descent (PnP-SGD) under realistic assumptions on the denoiser used. We report a range of imaging experiments demonstrating PnP-SGD as well as comparisons with other PnP schemes.

The present paper focuses on the problem of sampling from a given target distribution $\pi$ defined on some general state space. To this end, we introduce a novel class of non-reversible Markov chains, each chain being defined on an extended state space and having an invariant probability measure admitting $\pi$ as a marginal distribution. The proposed methodology is inspired by a new formulation of Kac's theorem and allows global and local dynamics to be smoothly combined. Under mild conditions, the corresponding Markov transition kernel can be shown to be irreducible and Harris recurrent. In addition, we establish that geometric ergodicity holds under appropriate conditions on the global and local dynamics. Finally, we illustrate numerically the use of the proposed method and its potential benefits in comparison to existing Markov chain Monte Carlo (MCMC) algorithms.

While the Metropolis Adjusted Langevin Algorithm (MALA) is a popular and widely used Markov chain Monte Carlo method, very few papers derive conditions that ensure its convergence. In particular, to the authors' knowledge, assumptions that are both easy to verify and guarantee geometric convergence, are still missing. In this work, we establish $V$-uniformly geometric convergence for MALA under mild assumptions about the target distribution. Unlike previous work, we only consider tail and smoothness conditions for the potential associated with the target distribution. These conditions are quite common in the MCMC literature and are easy to verify in practice. Finally, we pay special attention to the dependence of the bounds we derive on the step size of the Euler-Maruyama discretization, which corresponds to the proposal Markov kernel of MALA.

Recent works leveraging learning to enhance sampling have shown promising results, in particular by designing effective non-local moves and global proposals. However, learning accuracy is inevitably limited in regions where little data is available such as in the tails of distributions as well as in high-dimensional problems. In the present paper we study an Explore-Exploit Markov chain Monte Carlo strategy ($Ex^2MCMC$) that combines local and global samplers showing that it enjoys the advantages of both approaches. We prove $V$-uniform geometric ergodicity of $Ex^2MCMC$ without requiring a uniform adaptation of the global sampler to the target distribution. We also compute explicit bounds on the mixing rate of the Explore-Exploit strategy under realistic conditions. Moreover, we also analyze an adaptive version of the strategy ($FlEx^2MCMC$) where a normalizing flow is trained while sampling to serve as a proposal for global moves. We illustrate the efficiency of $Ex^2MCMC$ and its adaptive version on classical sampling benchmarks as well as in sampling high-dimensional distributions defined by Generative Adversarial Networks seen as Energy Based Models. We provide the code to reproduce the experiments at the link: https://github.com/svsamsonov/ex2mcmc_new., Comment: arXiv admin note: text overlap with arXiv:1111.5421 by other authors

In this paper, we establish moment and Bernstein-type inequalities for additive functionals of geometrically ergodic Markov chains. These inequalities extend the corresponding inequalities for independent random variables. Our conditions cover Markov chains converging geometrically to the stationary distribution either in $V$-norms or in weighted Wasserstein distances. Our inequalities apply to unbounded functions and depend explicitly on constants appearing in the conditions that we consider.

Inexact Markov Chain Monte Carlo methods rely on Markov chains that do not exactly preserve the target distribution. Examples include the unadjusted Langevin algorithm (ULA) and unadjusted Hamiltonian Monte Carlo (uHMC). This paper establishes bounds on Wasserstein distances between the invariant probability measures of inexact MCMC methods and their target distributions with a focus on understanding the precise dependence of this asymptotic bias on both dimension and discretization step size. Assuming Wasserstein bounds on the convergence to equilibrium of either the exact or the approximate dynamics, we show that for both ULA and uHMC, the asymptotic bias depends on key quantities related to the target distribution or the stationary probability measure of the scheme. As a corollary, we conclude that for models with a limited amount of interactions such as mean-field models, finite range graphical models, and perturbations thereof, the asymptotic bias has a similar dependence on the step size and the dimension as for product measures.

We study the convergence in total variation and $V$-norm of discretization schemes of the underdamped Langevin dynamics. Such algorithms are very popular and commonly used in molecular dynamics and computational statistics to approximatively sample from a target distribution of interest. We show first that, for a very large class of schemes, a minorization condition uniform in the stepsize holds. This class encompasses popular methods such as the Euler-Maruyama scheme and the schemes based on splitting strategies. Second, we provide mild conditions ensuring that the class of schemes that we consider satisfies a geometric Foster--Lyapunov drift condition, again uniform in the stepsize. This allows us to derive geometric convergence bounds, with a convergence rate scaling linearly with the stepsize. This kind of result is of prime interest to obtain estimates on norms of solutions to Poisson equations associated with a given numerical method.