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Gabriele Steidl

Publications and source records attributed to Gabriele Steidl.

At least 19 recordsLinked to original sources

Generalized Wasserstein Flow Matching: Transport Plans, Everywhere, All at Once

Flow matching has recently emerged as a flexible and efficient framework for generative modelling by learning deterministic transport dynamics between probability measures. In this work, we extend flow matching to the space of probability measures over probability measures, introducing a Wasserstein-on-Wasserstein (WoW) formulation. Leveraging the nested Wasserstein geometry, we show that measures over transport plans naturally induce velocity fields that realize metameasure flows. This yields a principled generalization of Wasserstein flow matching via coupled outer and inner transport plans. To address the substantial computational cost of WoW transport, we propose scalable approximations based on sliced and linear Wasserstein distances, enabling efficient training while promoting numerically stable, near-straight trajectories. Our framework unifies and extends existing approaches to point cloud and set generation, providing a practical and theoretically grounded method for generative modelling in WoW spaces.

cs.LG

Spherical Flows for Sampling Categorical Data

We study the problem of learning generative models for discrete sequences in a continuous embedding space. Whereas prior approaches typically operate in Euclidean space or on the probability simplex, we instead work on the sphere $\mathbb S^{d-1}$. There the von Mises-Fisher (vMF) distribution induces a natural noise process and admits a closed-form conditional score. The conditional velocity is in general intractable. Exploiting the radial symmetry of the vMF density we reduce the continuity equation on $\mathbb S^{d-1}$ to a scalar ODE in the cosine similarity, whose unique bounded solution determines the velocity. The marginal velocity and marginal score on $(\mathbb S^{d-1})^L$ both decompose into posterior-weighted tangent sums that differ only by per-token scalar weights. This gives access to both ODE and predictor-corrector (PC) sampling. The posterior is the only learned object, trained by a cross-entropy loss. Experiments compare the vMF path against geodesic and Euclidean alternatives. The vMF path especially in combination with PC sampling significantly improves results on Sudoku, language modeling, and mathematical reasoning.

stat.ML

SympFormer: Accelerated attention blocks via Inertial Dynamics on Density Manifolds

Transformers owe much of their empirical success in natural language processing to the self-attention blocks. Recent perspectives interpret attention blocks as interacting particle systems, whose mean-field limits correspond to gradient flows of interaction energy functionals on probability density spaces equipped with Wasserstein-$2$-type metrics. We extend this viewpoint by introducing accelerated attention blocks derived from inertial Nesterov-type dynamics on density spaces. In our proposed architecture, tokens carry both spatial (feature) and velocity variables. The time discretization and the approximation of accelerated density dynamics yield Hamiltonian momentum attention blocks, which constitute the proposed accelerated attention architectures. In particular, for linear self-attention, we show that the attention blocks approximate a Stein variational gradient flow, using a bilinear kernel, of a potential energy. In this setting, we prove that elliptically contoured probability distributions are preserved by the accelerated attention blocks. We present implementable particle-based algorithms and demonstrate that the proposed accelerated attention blocks converge faster than the classical attention blocks while preserving the number of oracle calls.

cs.LG

Self-Aware Markov Models for Discrete Reasoning

Standard masked discrete diffusion models face limitations in reasoning tasks due to their inability to correct their own mistakes on the masking path. Since they rely on a fixed number of denoising steps, they are unable to adjust their computation to the complexity of a given problem. To address these limitations, we introduce a method based on learning a Markov transition kernel that is trained on its own outputs. This design enables tokens to be remasked, allowing the model to correct its previous mistakes. Furthermore, we do not need a fixed time schedule but use a trained stopping criterion. This allows for adaptation of the number of function evaluations to the difficulty of the reasoning problem. Our adaptation adds two lightweight prediction heads, enabling reuse and fine-tuning of existing pretrained models. On the Sudoku-Extreme dataset we clearly outperform other flow based methods with a validity of 95%. For the Countdown-4 we only need in average of 10 steps to solve almost 96% of them correctly, while many problems can be solved already in 2 steps.

cs.LG

Reinterpreting EMML as Mirror Descent for Constrained Maximum Likelihood Estimation

The Expectation--Maximization Maximum Likelihood (EMML) algorithm belongs to the Expectation--Maximization family and is widely used for image reconstruction problems under Poisson noise. In this paper, we reinterpret EMML as a mirror descent method applied to a reparametrized objective function. This perspective allows us to incorporate convex constraints into the algorithm through appropriately chosen Bregman projections, while preserving the multiplicative structure of the EMML updates to ensure computational efficiency. We then establish the convergence of the resulting algorithm toward a solution of the constrained maximum-likelihood problem. Numerical experiments on hyperspectral unmixing problems demonstrate that the constrained EMML converges in fewer iterations than the classical EMML.

math.OC

HOT-POT: Optimal Transport for Sparse Stereo Matching

Stereo vision between images faces a range of challenges, including occlusions, motion, and camera distortions, across applications in autonomous driving, robotics, and face analysis. Due to parameter sensitivity, further complications arise for stereo matching with sparse features, such as facial landmarks. To overcome this ill-posedness and enable unsupervised sparse matching, we consider line constraints of the camera geometry from an optimal transport (OT) viewpoint. Formulating camera-projected points as (half)lines, we propose the use of the classical epipolar distance as well as a 3D ray distance to quantify matching quality. Employing these distances as a cost function of a (partial) OT problem, we arrive at efficiently solvable assignment problems. Moreover, we extend our approach to unsupervised object matching by formulating it as a hierarchical OT problem. The resulting algorithms allow for efficient feature and object matching, as demonstrated in our numerical experiments. Here, we focus on applications in facial analysis, where we aim to match distinct landmarking conventions.

cs.CV

Sampling via Stochastic Interpolants by Langevin-based Velocity and Initialization Estimation in Flow ODEs

We propose a novel method for sampling from unnormalized Boltzmann densities based on a probability flow ordinary differential equation (ODE) derived from linear stochastic interpolants. The key innovation of our approach is the use of a sequence of Langevin samplers to enable efficient simulation of the flow. Specifically, these Langevin samplers are employed (i) to generate samples from the interpolant distribution at intermediate times and (ii) to construct, starting from these intermediate times, a robust estimator of the velocity field governing the probability flow ODE. Theoretically, we provide convergence guarantees for both Langevin components, and establish a non-asymptotic convergence rate for the probability flow ODE. Extensive numerical experiments demonstrate the efficiency of the proposed method on challenging multimodal distributions across a range of dimensions, as well as its effectiveness in Bayesian inference tasks.

math.NA

Stochastic Zeroth-Order Method for Computing Generalized Rayleigh Quotients

The maximization of the (generalized) Rayleigh quotient is a central problem in numerical linear algebra. Conventional algorithms for its computation typically rely on matrix-adjoint products, making them sensitive to errors arrissing from adjoint mismatches. To address this issue, we introduce a stochastic zeroth-order Riemannian algorithm that maximizes the generalized Rayleigh quotient without requiring adjoint or matrix inverse computations. We provide theoretical convergence guarantees showing that the iterates converge to the set of global maximizers of the (generalized) Rayleigh quotient and the norm of the Riemannian gradient vanishes at a sublinear rate with probability one. Our theoretical results are supported by numerical experiments, which demonstrate the excellent performance of the proposed method compared to state-of-the-art algorithms.

math.OC

Adapting Noise to Data: Generative Flows from 1D Processes

The default Gaussian latent in flow-based generative models poses challenges when learning certain distributions such as heavy-tailed ones. We introduce a general framework for learning data-adaptive parametric prior distributions (latent noise) using one-dimensional quantile functions, optimized via the Wasserstein distance between noise and data. The quantile-based prior parameterization naturally adapts to both heavy-tailed and compactly supported distributions and shortens transport paths. Numerical results on heavy-tailed weather and image datasets confirm the method's flexibility and effectiveness achieved with negligible computational overhead.

stat.ML

Provable Mixed-Noise Learning with Flow-Matching

We study Bayesian inverse problems with mixed noise, modeled as a combination of additive and multiplicative Gaussian components. While traditional inference methods often assume fixed or known noise characteristics, real-world applications, particularly in physics and chemistry, frequently involve noise with unknown and heterogeneous structure. Motivated by recent advances in flow-based generative modeling, we propose a novel inference framework based on conditional flow matching embedded within an Expectation-Maximization (EM) algorithm to jointly estimate posterior samplers and noise parameters. To enable high-dimensional inference and improve scalability, we use simulation-free ODE-based flow matching as the generative model in the E-step of the EM algorithm. We prove that, under suitable assumptions, the EM updates converge to the true noise parameters in the population limit of infinite observations. Our numerical results illustrate the effectiveness of combining EM inference with flow matching for mixed-noise Bayesian inverse problems.

cs.LG

Unsupervised Ground Metric Learning

Data classification without access to labeled samples remains a challenging problem. It usually depends on an appropriately chosen distance between features, a topic addressed in metric learning. Recently, Huizing, Cantini and Peyr\'e proposed to simultaneously learn optimal transport (OT) cost matrices between samples and features of the dataset. This leads to the task of finding positive eigenvectors of a certain nonlinear function that maps cost matrices to OT distances. Having this basic idea in mind, we consider both the algorithmic and the modeling part of unsupervised metric learning. First, we examine appropriate algorithms and their convergence. In particular, we propose to use the stochastic random function iteration algorithm and prove that it converges linearly for our setting, although our operators are not paracontractive as it was required for convergence so far. Second, we ask the natural question if the OT distance can be replaced by other distances. We show how Mahalanobis-like distances fit into our considerations. Further, we examine an approach via graph Laplacians. In contrast to the previous settings, we have just to deal with linear functions in the wanted matrices here, so that simple algorithms from linear algebra can be applied.

math.OC

Telegrapher's Generative Model via Kac Flows

We break the mold in flow-based generative modeling by proposing a new model based on the damped wave equation, also known as telegrapher's equation. Similar to the diffusion equation and Brownian motion, there is a Feynman-Kac type relation between the telegrapher's equation and the stochastic Kac process in 1D. The Kac flow evolves stepwise linearly in time, so that the probability flow is Lipschitz continuous in the Wasserstein distance and, in contrast to diffusion flows, the norm of the velocity remains globally bounded. Furthermore, the Kac model has the diffusion model as its asymptotic limit. We extend these considerations to a multi-dimensional stochastic process which consists of independent 1D Kac processes in each spatial component. We show that this process gives rise to an absolutely continuous curve in the Wasserstein space and analytically compute the conditional velocity field when starting in a Dirac point. Using the framework of flow matching, we train a neural network to approximate the velocity field and use it for sample generation. Our numerical experiments demonstrate the scalability of our approach, and show its advantages over diffusion models.

math.AP

Smoothed Distance Kernels for MMDs and Applications in Wasserstein Gradient Flows

Negative distance kernels $K(x,y) := - \|x-y\|$ were used in the definition of maximum mean discrepancies (MMDs) in statistics and lead to favorable numerical results in various applications. In particular, so-called slicing techniques for handling high-dimensional kernel summations profit from the simple parameter-free structure of the distance kernel. However, due to its non-smoothness in $x=y$, most of the classical theoretical results, e.g. on Wasserstein gradient flows of the corresponding MMD functional do not longer hold true. In this paper, we propose a new kernel which keeps the favorable properties of the negative distance kernel as being conditionally positive definite of order one with a nearly linear increase towards infinity and a simple slicing structure, but is Lipschitz differentiable now. Our construction is based on a simple 1D smoothing procedure of the absolute value function followed by a Riemann-Liouville fractional integral transform. Numerical results demonstrate that the new kernel performs similarly well as the negative distance kernel in gradient descent methods, but now with theoretical guarantees.

stat.ML

Joint Metric Space Embedding by Unbalanced OT with Gromov-Wasserstein Marginal Penalization

We propose a new approach for unsupervised alignment of heterogeneous datasets, which maps data from two different domains without any known correspondences to a common metric space. Our method is based on an unbalanced optimal transport problem with Gromov-Wasserstein marginal penalization. It can be seen as a counterpart to the recently introduced joint multidimensional scaling method. We prove that there exists a minimizer of our functional and that for penalization parameters going to infinity, the corresponding sequence of minimizers converges to a minimizer of the so-called embedded Wasserstein distance. Our model can be reformulated as a quadratic, multi-marginal, unbalanced optimal transport problem, for which a bi-convex relaxation admits a numerical solver via block-coordinate descent. We provide numerical examples for joint embeddings in Euclidean as well as non-Euclidean spaces.

cs.LG

Flow Matching: Markov Kernels, Stochastic Processes and Transport Plans

Among generative neural models, flow matching techniques stand out for their simple applicability and good scaling properties. Here, velocity fields of curves connecting a simple latent and a target distribution are learned. Then the corresponding ordinary differential equation can be used to sample from a target distribution, starting in samples from the latent one. This paper reviews from a mathematical point of view different techniques to learn the velocity fields of absolutely continuous curves in the Wasserstein geometry. We show how the velocity fields can be characterized and learned via i) transport plans (couplings) between latent and target distributions, ii) Markov kernels and iii) stochastic processes, where the latter two include the coupling approach, but are in general broader. Besides this main goal, we show how flow matching can be used for solving Bayesian inverse problems, where the definition of conditional Wasserstein distances plays a central role. Finally, we briefly address continuous normalizing flows and score matching techniques, which approach the learning of velocity fields of curves from other directions.

cs.LG

Variable Bregman Majorization-Minimization Algorithm and its Application to Dirichlet Maximum Likelihood Estimation

We propose a novel Bregman descent algorithm for minimizing a convex function that is expressed as the sum of a differentiable part (defined over an open set) and a possibly nonsmooth term. The approach, referred to as the Variable Bregman Majorization-Minimization (VBMM) algorithm, extends the Bregman Proximal Gradient method by allowing the Bregman function used in the divergence to adaptively vary at each iteration, provided it satisfies a majorizing condition on the objective function. This adaptive framework enables the algorithm to approximate the objective more precisely at each iteration, thereby allowing for accelerated convergence compared to the traditional Bregman Proximal Gradient descent. We establish the convergence of the VBMM algorithm to a minimizer under mild assumptions on the family of metrics used. Furthermore, we introduce a novel application of both the Bregman Proximal Gradient method and the VBMM algorithm to the estimation of the multidimensional parameters of a Dirichlet distribution through the maximization of its log-likelihood. Numerical experiments confirm that the VBMM algorithm outperforms existing approaches in terms of convergence speed.

cs.LG

Sampling from Boltzmann densities with physics informed low-rank formats

Our method proposes the efficient generation of samples from an unnormalized Boltzmann density by solving the underlying continuity equation in the low-rank tensor train (TT) format. It is based on the annealing path commonly used in MCMC literature, which is given by the linear interpolation in the space of energies. Inspired by Sequential Monte Carlo, we alternate between deterministic time steps from the TT representation of the flow field and stochastic steps, which include Langevin and resampling steps. These adjust the relative weights of the different modes of the target distribution and anneal to the correct path distribution. We showcase the efficiency of our method on multiple numerical examples.

cs.LG

Wasserstein Gradient Flows of MMD Functionals with Distance Kernels under Sobolev Regularization

We consider Wasserstein gradient flows of maximum mean discrepancy (MMD) functionals $\text{MMD}_K^2(\cdot, \nu)$ for positive and negative distance kernels $K(x,y) := \pm |x-y|$ and given target measures $\nu$ on $\mathbb{R}$. Since in one dimension the Wasserstein space can be isometrically embedded into the cone $\mathcal C(0,1) \subset L_2(0,1)$ of quantile functions, Wasserstein gradient flows can be characterized by the solution of an associated Cauchy problem on $L_2(0,1)$. While for the negative kernel, the MMD functional is geodesically convex, this is not the case for the positive kernel, which needs to be handled to ensure the existence of the flow. We propose to add a regularizing Sobolev term $|\cdot|^2_{H^1(0,1)}$ corresponding to the Laplacian with Neumann boundary conditions to the Cauchy problem of quantile functions. Indeed, this ensures the existence of a generalized minimizing movement for the positive kernel. Furthermore, for the negative kernel, we demonstrate by numerical examples how the Laplacian rectifies a "dissipation-of-mass" defect of the MMD gradient flow.

math.AP