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Gabriel Peyré

Gabriel Peyré contributes to research discovery and scholarly infrastructure.

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Published work

17 published item(s)

preprint2026arXiv

Geometry-Aware Discretization Error of Diffusion Models

Practical diffusion sampling is a numerical approximation problem: under a fixed inference budget, one must simulate a reverse-time ODE or SDE using only a limited number of denoising steps, so discretization error is often the dominant source of error. Existing non-asymptotic analyses provide convergence guarantees, but are typically too loose and too insensitive to diffusion parameters to guide practical design: broad families of schedules receive the same rates, which depend on coarse worst-case quantities such as the dimension or the drift Lipschitz constant. We take a less ambitious but more informative route. In the exact-score setting, we derive first-order asymptotic expansions of the Euler-Maruyama weak and Fréchet discretization errors. These formulas hold for general smooth reverse diffusions and become fully explicit under Gaussian data. They show how discretization error adapts to the geometry of the data through the covariance spectrum, and how this geometry interacts with key diffusion parameters, including the diffusion schedules and the diffusion-term coefficient. This yields tractable objectives for geometry-aware parameter optimization. Finally, we show that the qualitative predictions of the Gaussian formulas remain robust across diffusion sampling problems with different geometries, including image generation on different datasets and image posterior sampling.

preprint2026arXiv

On the global convergence of gradient descent for wide shallow models with bounded nonlinearities

A surprising phenomenon in the training of neural networks is the ability of gradient descent to find global minimizers of the training loss despite its non-convexity. Following earlier works, we investigate this behavior for wide shallow networks. Existing results essentially cover the case of ReLU activations and the case of sigmoid activations with scalar output weights. We study a large class of models that includes multi-head attention layers and two-layer sigmoid networks with vector output weights. Building upon [Chizat and Bach, 2018], we prove that all non-global minimizers of the training loss are unstable under gradient descent dynamics. Thus, when the initial distribution of the parameters has full support (which includes the popular Gaussian case), and in the many hidden neurons or attention heads limit, continuous-time gradient descent can only converge to global minimizers. Establishing the instability of non-global minimizers corresponds to the construction of an ``escaping active set'' -- we complete the proof of [Chizat and Bach, 2018] to construct this set for models with bounded nonlinearities and scalar output weights. We also extend this construction to new cases for models with vector output weights. Finally, we show the well-posedness and the stability with respect to discretization of the mean field training dynamic for sub-Gaussian initializations.

preprint2026arXiv

Training Infinitely Deep and Wide Transformers

Transformers have become the dominant architecture in modern machine learning, yet the theoretical understanding of their training dynamics remains limited. This paper develops a rigorous mathematical framework for analyzing gradient-based training of transformers in the mean-field regime, where both the depth (number of layers) and width (number of attention heads) tend to infinity. While ResNet training can be understood as controlling a neural ODE, transformer training corresponds to controlling a neural PDE, due to the coupling of multiple token distributions through the attention mechanism. Our mean-field model features two types of measure representations: token distributions evolving through layers and attention parameters at each layer. We establish well-posedness of the forward pass through infinitely deep transformers, characterizing token evolution via flow maps that satisfy ODEs in function spaces. Using adjoint sensitivity analysis, we derive an explicit formula for the conditional Wasserstein gradient of the training risk, involving adjoint variables governed by backward ODEs. We prove the existence and uniqueness of gradient flow curves in the conditional Wasserstein metric space, establishing a rigorous foundation for gradient-based transformer training. A key technical contribution is providing necessary and sufficient conditions for injectivity of the Neural Tangent Kernel (NTK) for attention mechanisms: we show that NTK injectivity is equivalent to linear independence of log-sum-exp functions modulo affine functions, a condition satisfied by diverse token distributions, including discrete distributions, uniform distributions, and Gaussian mixtures. Under this NTK injectivity assumption, we prove that gradient flow converges to global minima when the initial loss is sufficiently small, eliminating spurious local minima from the optimization landscape.

preprint2023arXiv

Sinkhorn Divergences for Unbalanced Optimal Transport

Optimal transport induces the Earth Mover's (Wasserstein) distance between probability distributions, a geometric divergence that is relevant to a wide range of problems. Over the last decade, two relaxations of optimal transport have been studied in depth: unbalanced transport, which is robust to the presence of outliers and can be used when distributions don't have the same total mass; entropy-regularized transport, which is robust to sampling noise and lends itself to fast computations using the Sinkhorn algorithm. This paper combines both lines of work to put robust optimal transport on solid ground. Our main contribution is a generalization of the Sinkhorn algorithm to unbalanced transport: our method alternates between the standard Sinkhorn updates and the pointwise application of a contractive function. This implies that entropic transport solvers on grid images, point clouds and sampled distributions can all be modified easily to support unbalanced transport, with a proof of linear convergence that holds in all settings. We then show how to use this method to define pseudo-distances on the full space of positive measures that satisfy key geometric axioms: (unbalanced) Sinkhorn divergences are differentiable, positive, definite, convex, statistically robust and avoid any "entropic bias" towards a shrinkage of the measures' supports.

preprint2023arXiv

The Unbalanced Gromov Wasserstein Distance: Conic Formulation and Relaxation

Comparing metric measure spaces (i.e. a metric space endowed with aprobability distribution) is at the heart of many machine learning problems. The most popular distance between such metric measure spaces is theGromov-Wasserstein (GW) distance, which is the solution of a quadratic assignment problem. The GW distance is however limited to the comparison of metric measure spaces endowed with a probability distribution. To alleviate this issue, we introduce two Unbalanced Gromov-Wasserstein formulations: a distance and a more tractable upper-bounding relaxation.They both allow the comparison of metric spaces equipped with arbitrary positive measures up to isometries. The first formulation is a positive and definite divergence based on a relaxation of the mass conservation constraint using a novel type of quadratically-homogeneous divergence. This divergence works hand in hand with the entropic regularization approach which is popular to solve large scale optimal transport problems. We show that the underlying non-convex optimization problem can be efficiently tackled using a highly parallelizable and GPU-friendly iterative scheme. The second formulation is a distance between mm-spaces up to isometries based on a conic lifting. Lastly, we provide numerical experiments onsynthetic examples and domain adaptation data with a Positive-Unlabeled learning task to highlight the salient features of the unbalanced divergence and its potential applications in ML.

preprint2023arXiv

Unbalanced Optimal Transport, from Theory to Numerics

Optimal Transport (OT) has recently emerged as a central tool in data sciences to compare in a geometrically faithful way point clouds and more generally probability distributions. The wide adoption of OT into existing data analysis and machine learning pipelines is however plagued by several shortcomings. This includes its lack of robustness to outliers, its high computational costs, the need for a large number of samples in high dimension and the difficulty to handle data in distinct spaces. In this review, we detail several recently proposed approaches to mitigate these issues. We insist in particular on unbalanced OT, which compares arbitrary positive measures, not restricted to probability distributions (i.e. their total mass can vary). This generalization of OT makes it robust to outliers and missing data. The second workhorse of modern computational OT is entropic regularization, which leads to scalable algorithms while lowering the sample complexity in high dimension. The last point presented in this review is the Gromov-Wasserstein (GW) distance, which extends OT to cope with distributions belonging to different metric spaces. The main motivation for this review is to explain how unbalanced OT, entropic regularization and GW can work hand-in-hand to turn OT into efficient geometric loss functions for data sciences.

preprint2022arXiv

Do Residual Neural Networks discretize Neural Ordinary Differential Equations?

Neural Ordinary Differential Equations (Neural ODEs) are the continuous analog of Residual Neural Networks (ResNets). We investigate whether the discrete dynamics defined by a ResNet are close to the continuous one of a Neural ODE. We first quantify the distance between the ResNet's hidden state trajectory and the solution of its corresponding Neural ODE. Our bound is tight and, on the negative side, does not go to 0 with depth N if the residual functions are not smooth with depth. On the positive side, we show that this smoothness is preserved by gradient descent for a ResNet with linear residual functions and small enough initial loss. It ensures an implicit regularization towards a limit Neural ODE at rate 1 over N, uniformly with depth and optimization time. As a byproduct of our analysis, we consider the use of a memory-free discrete adjoint method to train a ResNet by recovering the activations on the fly through a backward pass of the network, and show that this method theoretically succeeds at large depth if the residual functions are Lipschitz with the input. We then show that Heun's method, a second order ODE integration scheme, allows for better gradient estimation with the adjoint method when the residual functions are smooth with depth. We experimentally validate that our adjoint method succeeds at large depth, and that Heun method needs fewer layers to succeed. We finally use the adjoint method successfully for fine-tuning very deep ResNets without memory consumption in the residual layers.

preprint2022arXiv

Fast and accurate optimization on the orthogonal manifold without retraction

We consider the problem of minimizing a function over the manifold of orthogonal matrices. The majority of algorithms for this problem compute a direction in the tangent space, and then use a retraction to move in that direction while staying on the manifold. Unfortunately, the numerical computation of retractions on the orthogonal manifold always involves some expensive linear algebra operation, such as matrix inversion, exponential or square-root. These operations quickly become expensive as the dimension of the matrices grows. To bypass this limitation, we propose the landing algorithm which does not use retractions. The algorithm is not constrained to stay on the manifold but its evolution is driven by a potential energy which progressively attracts it towards the manifold. One iteration of the landing algorithm only involves matrix multiplications, which makes it cheap compared to its retraction counterparts. We provide an analysis of the convergence of the algorithm, and demonstrate its promises on large-scale and deep learning problems, where it is faster and less prone to numerical errors than retraction-based methods.

preprint2022arXiv

Faster Unbalanced Optimal Transport: Translation invariant Sinkhorn and 1-D Frank-Wolfe

Unbalanced optimal transport (UOT) extends optimal transport (OT) to take into account mass variations to compare distributions. This is crucial to make OT successful in ML applications, making it robust to data normalization and outliers. The baseline algorithm is Sinkhorn, but its convergence speed might be significantly slower for UOT than for OT. In this work, we identify the cause for this deficiency, namely the lack of a global normalization of the iterates, which equivalently corresponds to a translation of the dual OT potentials. Our first contribution leverages this idea to develop a provably accelerated Sinkhorn algorithm (coined 'translation invariant Sinkhorn') for UOT, bridging the computational gap with OT. Our second contribution focusses on 1-D UOT and proposes a Frank-Wolfe solver applied to this translation invariant formulation. The linear oracle of each steps amounts to solving a 1-D OT problems, resulting in a linear time complexity per iteration. Our last contribution extends this method to the computation of UOT barycenter of 1-D measures. Numerical simulations showcase the convergence speed improvement brought by these three approaches.

preprint2022arXiv

Sinkformers: Transformers with Doubly Stochastic Attention

Attention based models such as Transformers involve pairwise interactions between data points, modeled with a learnable attention matrix. Importantly, this attention matrix is normalized with the SoftMax operator, which makes it row-wise stochastic. In this paper, we propose instead to use Sinkhorn's algorithm to make attention matrices doubly stochastic. We call the resulting model a Sinkformer. We show that the row-wise stochastic attention matrices in classical Transformers get close to doubly stochastic matrices as the number of epochs increases, justifying the use of Sinkhorn normalization as an informative prior. On the theoretical side, we show that, unlike the SoftMax operation, this normalization makes it possible to understand the iterations of self-attention modules as a discretized gradient-flow for the Wasserstein metric. We also show in the infinite number of samples limit that, when rescaling both attention matrices and depth, Sinkformers operate a heat diffusion. On the experimental side, we show that Sinkformers enhance model accuracy in vision and natural language processing tasks. In particular, on 3D shapes classification, Sinkformers lead to a significant improvement.

preprint2022arXiv

Unsupervised Ground Metric Learning using Wasserstein Singular Vectors

Defining meaningful distances between samples in a dataset is a fundamental problem in machine learning. Optimal Transport (OT) lifts a distance between features (the "ground metric") to a geometrically meaningful distance between samples. However, there is usually no straightforward choice of ground metric. Supervised ground metric learning approaches exist but require labeled data. In absence of labels, only ad-hoc ground metrics remain. Unsupervised ground metric learning is thus a fundamental problem to enable data-driven applications of OT. In this paper, we propose for the first time a canonical answer by simultaneously computing an OT distance between samples and between features of a dataset. These distance matrices emerge naturally as positive singular vectors of the function mapping ground metrics to OT distances. We provide criteria to ensure the existence and uniqueness of these singular vectors. We then introduce scalable computational methods to approximate them in high-dimensional settings, using stochastic approximation and entropic regularization. Finally, we showcase Wasserstein Singular Vectors on a single-cell RNA-sequencing dataset.

preprint2021arXiv

Low-Rank Sinkhorn Factorization

Several recent applications of optimal transport (OT) theory to machine learning have relied on regularization, notably entropy and the Sinkhorn algorithm. Because matrix-vector products are pervasive in the Sinkhorn algorithm, several works have proposed to \textit{approximate} kernel matrices appearing in its iterations using low-rank factors. Another route lies instead in imposing low-rank constraints on the feasible set of couplings considered in OT problems, with no approximations on cost nor kernel matrices. This route was first explored by Forrow et al., 2018, who proposed an algorithm tailored for the squared Euclidean ground cost, using a proxy objective that can be solved through the machinery of regularized 2-Wasserstein barycenters. Building on this, we introduce in this work a generic approach that aims at solving, in full generality, the OT problem under low-rank constraints with arbitrary costs. Our algorithm relies on an explicit factorization of low rank couplings as a product of \textit{sub-coupling} factors linked by a common marginal; similar to an NMF approach, we alternatively updates these factors. We prove the non-asymptotic stationary convergence of this algorithm and illustrate its efficiency on benchmark experiments.

preprint2020arXiv

Computational Optimal Transport

Optimal transport (OT) theory can be informally described using the words of the French mathematician Gaspard Monge (1746-1818): A worker with a shovel in hand has to move a large pile of sand lying on a construction site. The goal of the worker is to erect with all that sand a target pile with a prescribed shape (for example, that of a giant sand castle). Naturally, the worker wishes to minimize her total effort, quantified for instance as the total distance or time spent carrying shovelfuls of sand. Mathematicians interested in OT cast that problem as that of comparing two probability distributions, two different piles of sand of the same volume. They consider all of the many possible ways to morph, transport or reshape the first pile into the second, and associate a "global" cost to every such transport, using the "local" consideration of how much it costs to move a grain of sand from one place to another. Recent years have witnessed the spread of OT in several fields, thanks to the emergence of approximate solvers that can scale to sizes and dimensions that are relevant to data sciences. Thanks to this newfound scalability, OT is being increasingly used to unlock various problems in imaging sciences (such as color or texture processing), computer vision and graphics (for shape manipulation) or machine learning (for regression, classification and density fitting). This short book reviews OT with a bias toward numerical methods and their applications in data sciences, and sheds lights on the theoretical properties of OT that make it particularly useful for some of these applications.

preprint2020arXiv

Online Sinkhorn: Optimal Transport distances from sample streams

Optimal Transport (OT) distances are now routinely used as loss functions in ML tasks. Yet, computing OT distances between arbitrary (i.e. not necessarily discrete) probability distributions remains an open problem. This paper introduces a new online estimator of entropy-regularized OT distances between two such arbitrary distributions. It uses streams of samples from both distributions to iteratively enrich a non-parametric representation of the transportation plan. Compared to the classic Sinkhorn algorithm, our method leverages new samples at each iteration, which enables a consistent estimation of the true regularized OT distance. We provide a theoretical analysis of the convergence of the online Sinkhorn algorithm, showing a nearly-O(1/n) asymptotic sample complexity for the iterate sequence. We validate our method on synthetic 1D to 10D data and on real 3D shape data.

preprint2020arXiv

Super-efficiency of automatic differentiation for functions defined as a minimum

In min-min optimization or max-min optimization, one has to compute the gradient of a function defined as a minimum. In most cases, the minimum has no closed-form, and an approximation is obtained via an iterative algorithm. There are two usual ways of estimating the gradient of the function: using either an analytic formula obtained by assuming exactness of the approximation, or automatic differentiation through the algorithm. In this paper, we study the asymptotic error made by these estimators as a function of the optimization error. We find that the error of the automatic estimator is close to the square of the error of the analytic estimator, reflecting a super-efficiency phenomenon. The convergence of the automatic estimator greatly depends on the convergence of the Jacobian of the algorithm. We analyze it for gradient descent and stochastic gradient descent and derive convergence rates for the estimators in these cases. Our analysis is backed by numerical experiments on toy problems and on Wasserstein barycenter computation. Finally, we discuss the computational complexity of these estimators and give practical guidelines to chose between them.

preprint2020arXiv

The geometry of off-the-grid compressed sensing

This paper presents a sharp geometric analysis of the recovery performance of sparse regularization. More specifically, we analyze the BLASSO method which estimates a sparse measure (sum of Dirac masses) from randomized sub-sampled measurements. This is a "continuous", often called off-the-grid, extension of the compressed sensing problem, where the $\ell^1$ norm is replaced by the total variation of measures. This extension is appealing from a numerical perspective because it avoids to discretize the the space by some grid. But more importantly, it makes explicit the geometry of the problem since the positions of the Diracs can now freely move over the parameter space. On a methodological level, our contribution is to propose the Fisher geodesic distance on this parameter space as the canonical metric to analyze super-resolution in a way which is invariant to reparameterization of this space. Switching to the Fisher metric allows us to take into account measurement operators which are not translation invariant, which is crucial for applications such as Laplace inversion in imaging, Gaussian mixtures estimation and training of multilayer perceptrons with one hidden layer. On a theoretical level, our main contribution shows that if the Fisher distance between spikes is larger than a Rayleigh separation constant, then the BLASSO recovers in a stable way a stream of Diracs, provided that the number of measurements is proportional (up to log factors) to the number of Diracs. We measure the stability using an optimal transport distance constructed on top of the Fisher geodesic distance. Our result is (up to log factor) sharp and does not require any randomness assumption on the amplitudes of the underlying measure. Our proof technique relies on an infinite-dimensional extension of the so-called "golfing scheme" which operates over the space of measures and is of general interest.

preprint2020arXiv

Wasserstein Control of Mirror Langevin Monte Carlo

Discretized Langevin diffusions are efficient Monte Carlo methods for sampling from high dimensional target densities that are log-Lipschitz-smooth and (strongly) log-concave. In particular, the Euclidean Langevin Monte Carlo sampling algorithm has received much attention lately, leading to a detailed understanding of its non-asymptotic convergence properties and of the role that smoothness and log-concavity play in the convergence rate. Distributions that do not possess these regularity properties can be addressed by considering a Riemannian Langevin diffusion with a metric capturing the local geometry of the log-density. However, the Monte Carlo algorithms derived from discretizations of such Riemannian Langevin diffusions are notoriously difficult to analyze. In this paper, we consider Langevin diffusions on a Hessian-type manifold and study a discretization that is closely related to the mirror-descent scheme. We establish for the first time a non-asymptotic upper-bound on the sampling error of the resulting Hessian Riemannian Langevin Monte Carlo algorithm. This bound is measured according to a Wasserstein distance induced by a Riemannian metric ground cost capturing the Hessian structure and closely related to a self-concordance-like condition. The upper-bound implies, for instance, that the iterates contract toward a Wasserstein ball around the target density whose radius is made explicit. Our theory recovers existing Euclidean results and can cope with a wide variety of Hessian metrics related to highly non-flat geometries.