arXiv subjects

Johannes Hertrich

Publications and source records attributed to Johannes Hertrich.

At least 19 recordsLinked to original sources

arXiv2026

Limit Points of Reflow with Minibatch Optimal Transport

Rectified flows, also called flow matching or stochastic interpolants, are generative models that learn a time-dependent vector field steering a probability curve between two probability distributions, usually referred to as latent and target distributions. Reflow accelerates inference by iteratively straightening the trajectories induced by this vector field. We study the asymptotic behavior of this iteration and characterize its limit points. First, we define weak rectified couplings which always exist. Next, when rectified flow updates are alternated with minibatch optimal transport steps of fixed batch size, we show that any limit is $N$-cyclically monotone, where $N$ is the batch size. Such $N$-cyclically monotone couplings enjoy favorable structural and stability properties such as rectifiability and straightness. Finally, restricting velocities to gradient fields and assuming additional support conditions, we prove that reflow limits coincide with the optimal transport map between the endpoint distributions.

math.PR↗

arXiv2026

Wasserstein Gradient Flows of MMD Functionals with Distance Kernel and Cauchy Problems on Quantile Functions

We give a comprehensive description of Wasserstein gradient flows of maximum mean discrepancy (MMD) functionals $\mathcal F_ν:= \text{MMD}_K^2(\cdot, ν)$ towards given target measures $ν$ on the real line, where we focus on the negative distance kernel $K(x,y) := -|x-y|$. In one dimension, the Wasserstein-2 space can be isometrically embedded into the cone $\mathcal C(0,1) \subset L_2(0,1)$ of quantile functions leading to a characterization of Wasserstein gradient flows via the solution of an associated Cauchy problem on $L_2(0,1)$. Based on the construction of an appropriate counterpart of $\mathcal F_ν$ on $L_2(0,1)$ and its subdifferential, we provide a solution of the Cauchy problem. For discrete target measures $ν$, this results in a piecewise linear solution formula. We prove invariance and smoothing properties of the flow on subsets of $\mathcal C(0,1)$. For certain $\mathcal F_ν$-flows this implies that initial point measures instantly become absolutely continuous, and stay so over time. Finally, we illustrate the behavior of the flow by various numerical examples using an implicit Euler scheme, which is easily computable by a bisection algorithm. For continuous targets $ν$, also the explicit Euler scheme can be employed, although with limited convergence guarantees.

math.AP↗

arXiv2026

A Stability Benchmark of Generative Regularizers for Inverse Problems

Generative (diffusion) priors demonstrate remarkable performance in addressing inverse problems in imaging. Yet, for scientific and medical imaging, it is crucial that reconstruction techniques remain stable and reliable under imperfect settings. Typical definitions of stability encompass the notion of ''convergent regularization'', robustness to out-of-distribution data, and to inaccuracies in the forward operator or noise model. We evaluate these properties numerically. Furthermore, we benchmark generative approaches against modern optimization-based methods inspired by the widely used variational techniques. Our results give insights for which settings and applications generative priors can deliver state-of-the-art reconstructions, and on those in which they fall short or may even be problematic.

eess.IV↗

arXiv2026

Tessellations of Semi-Discrete Flow Matching

We study Flow Matching in a semi-discrete setting where a Gaussian source is transported toward a discrete target supported on finitely many points. This semi-discrete regime is the theoretical setting behind the use of Flow Matching for generative modeling, where the target distribution is represented by a finite dataset. In this semi-discrete regime, the exact Flow Matching velocity field is available in closed form, which makes it possible to analyze the geometry induced by the terminal flow map independently of optimization and approximation effects. We investigate the terminal assignment regions, namely the preimages of the target atoms under the terminal flow. We show that these regions are open, simply connected and, under an additional assumption, homeomorphic to the unit ball. At the same time, a planar four-point example shows that these cells can differ sharply from Laguerre cells arising in semi-discrete optimal transport: they may be non-convex, have curved boundaries, and exhibit different boundedness and adjacency patterns. These results clarify the geometry intrinsically induced by the exact semi-discrete Flow Matching objective before neural approximation enters the picture.

cs.LG↗

arXiv2026

On the Relation between Rectified Flows and Optimal Transport

This paper investigates the connections between rectified flows, flow matching, and optimal transport. Flow matching is a recent approach to learning generative models by estimating velocity fields that guide transformations from a source to a target distribution. Rectified flow matching aims to straighten the learned transport paths, yielding more direct flows between distributions. Our first contribution is a set of invariance properties of rectified flows and explicit velocity fields. In addition, we also provide explicit constructions and analysis in the Gaussian (not necessarily independent) and Gaussian mixture settings and study the relation to optimal transport. Our second contribution addresses recent claims suggesting that rectified flows, when constrained such that the learned velocity field is a gradient, can yield (asymptotically) solutions to optimal transport problems. We study the existence of solutions for this problem and demonstrate that they only relate to optimal transport under assumptions that are significantly stronger than those previously acknowledged. In particular, we present several counterexamples that invalidate earlier equivalence results in the literature, and we argue that enforcing a gradient constraint on rectified flows is, in general, not a reliable method for computing optimal transport maps.

cs.LG↗

arXiv2026

Iterative Importance Fine-tuning of Diffusion Models

Diffusion models are an important tool for generative modelling, serving as effective priors in applications such as imaging and protein design. A key challenge in applying diffusion models for downstream tasks is efficiently sampling from resulting posterior distributions, which can be addressed using Doob's $h$-transform. This work introduces a self-supervised algorithm for fine-tuning diffusion models by learning the optimal control, enabling amortised conditional sampling. Our method iteratively refines the control using a synthetic dataset resampled with path-based importance weights. We demonstrate the effectiveness of this framework on class-conditional sampling, inverse problems and reward fine-tuning for text-to-image diffusion models.

cs.LG↗

arXiv2026

Learning Regularization Functionals for Inverse Problems: A Comparative Study

In recent years, a variety of learned regularization frameworks for solving inverse problems in imaging have emerged. These offer flexible modeling together with mathematical insights. The proposed methods differ in their architectural design and training strategies, making direct comparison challenging due to non-modular implementations. We address this gap by collecting and unifying the available code into a common framework. This unified view allows us to systematically compare the approaches and highlight their strengths and limitations, providing valuable insights into their future potential. We also provide concise descriptions of each method, complemented by practical guidelines.

cs.LG↗

arXiv2025

Numerical Methods for Kernel Slicing

Kernels are key in machine learning for modeling interactions. Unfortunately, brute-force computation of the related kernel sums scales quadratically with the number of samples. Recent Fourier-slicing methods lead to an improved linear complexity, provided that the kernel can be sliced and its Fourier coefficients are known. To obtain these coefficients, we view the slicing relation as an inverse problem and present two algorithms for their recovery. Extensive numerical experiments demonstrate the speed and accuracy of our methods.

math.NA↗

arXiv2025

Importance Corrected Neural JKO Sampling

In order to sample from an unnormalized probability density function, we propose to combine continuous normalizing flows (CNFs) with rejection-resampling steps based on importance weights. We relate the iterative training of CNFs with regularized velocity fields to a JKO scheme and prove convergence of the involved velocity fields to the velocity field of the Wasserstein gradient flow (WGF). The alternation of local flow steps and non-local rejection-resampling steps allows to overcome local minima or slow convergence of the WGF for multimodal distributions. Since the proposal of the rejection step is generated by the model itself, they do not suffer from common drawbacks of classical rejection schemes. The arising model can be trained iteratively, reduces the reverse Kullback-Leibler (KL) loss function in each step, allows to generate iid samples and moreover allows for evaluations of the generated underlying density. Numerical examples show that our method yields accurate results on various test distributions including high-dimensional multimodal targets and outperforms the state of the art in almost all cases significantly.

stat.ML↗

arXiv2025

Generative Feature Training of Thin 2-Layer Networks

We consider the approximation of functions by 2-layer neural networks with a small number of hidden weights based on the squared loss and small datasets. Due to the highly non-convex energy landscape, gradient-based training often suffers from local minima. As a remedy, we initialize the hidden weights with samples from a learned proposal distribution, which we parameterize as a deep generative model. To train this model, we exploit the fact that with fixed hidden weights, the optimal output weights solve a linear equation. After learning the generative model, we refine the sampled weights with a gradient-based post-processing in the latent space. Here, we also include a regularization scheme to counteract potential noise. Finally, we demonstrate the effectiveness of our approach by numerical examples.

cs.LG↗

arXiv2025

DeepInverse: A Python package for solving imaging inverse problems with deep learning

DeepInverse is an open-source PyTorch-based library for solving imaging inverse problems. The library covers all crucial steps in image reconstruction from the efficient implementation of forward operators (e.g., optics, MRI, tomography), to the definition and resolution of variational problems and the design and training of advanced neural network architectures. In this paper, we describe the main functionality of the library and discuss the main design choices.

eess.IV↗

arXiv2025

Fast Summation of Radial Kernels via QMC Slicing

The fast computation of large kernel sums is a challenging task, which arises as a subproblem in any kernel method. We approach the problem by slicing, which relies on random projections to one-dimensional subspaces and fast Fourier summation. We prove bounds for the slicing error and propose a quasi-Monte Carlo (QMC) approach for selecting the projections based on spherical quadrature rules. Numerical examples demonstrate that our QMC-slicing approach significantly outperforms existing methods like (QMC-)random Fourier features, orthogonal Fourier features or non-QMC slicing on standard test datasets.

math.NA↗

arXiv2024

Plug-and-Play Half-Quadratic Splitting for Ptychography

Ptychography is a coherent diffraction imaging method that uses phase retrieval techniques to reconstruct complex-valued images. It achieves this by sequentially illuminating overlapping regions of a sample with a coherent beam and recording the diffraction pattern. Although this addresses traditional imaging system challenges, it is computationally intensive and highly sensitive to noise, especially with reduced illumination overlap. Data-driven regularisation techniques have been applied in phase retrieval to improve reconstruction quality. In particular, plug-and-play (PnP) offers flexibility by integrating data-driven denoisers as implicit priors. In this work, we propose a half-quadratic splitting framework for using PnP and other data-driven priors for ptychography. We evaluate our method both on natural images and real test objects to validate its effectiveness for ptychographic image reconstruction.

eess.IV↗

arXiv2024

Fast Kernel Summation in High Dimensions via Slicing and Fourier Transforms

Kernel-based methods are heavily used in machine learning. However, they suffer from $O(N^2)$ complexity in the number $N$ of considered data points. In this paper, we propose an approximation procedure, which reduces this complexity to $O(N)$. Our approach is based on two ideas. First, we prove that any radial kernel with analytic basis function can be represented as sliced version of some one-dimensional kernel and derive an analytic formula for the one-dimensional counterpart. It turns out that the relation between one- and $d$-dimensional kernels is given by a generalized Riemann-Liouville fractional integral. Hence, we can reduce the $d$-dimensional kernel summation to a one-dimensional setting. Second, for solving these one-dimensional problems efficiently, we apply fast Fourier summations on non-equispaced data, a sorting algorithm or a combination of both. Due to its practical importance we pay special attention to the Gaussian kernel, where we show a dimension-independent error bound and represent its one-dimensional counterpart via a closed-form Fourier transform. We provide a run time comparison and error estimate of our fast kernel summations.

math.NA↗

arXiv2024

Manifold Learning by Mixture Models of VAEs for Inverse Problems

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

cs.LG↗

arXiv2024

Mixed Noise and Posterior Estimation with Conditional DeepGEM

Motivated by indirect measurements and applications from nanometrology with a mixed noise model, we develop a novel algorithm for jointly estimating the posterior and the noise parameters in Bayesian inverse problems. We propose to solve the problem by an expectation maximization (EM) algorithm. Based on the current noise parameters, we learn in the E-step a conditional normalizing flow that approximates the posterior. In the M-step, we propose to find the noise parameter updates again by an EM algorithm, which has analytical formulas. We compare the training of the conditional normalizing flow with the forward and reverse KL, and show that our model is able to incorporate information from many measurements, unlike previous approaches.

cs.LG↗

arXiv2024

Neural Wasserstein Gradient Flows for Maximum Mean Discrepancies with Riesz Kernels

Wasserstein gradient flows of maximum mean discrepancy (MMD) functionals with non-smooth Riesz kernels show a rich structure as singular measures can become absolutely continuous ones and conversely. In this paper we contribute to the understanding of such flows. We propose to approximate the backward scheme of Jordan, Kinderlehrer and Otto for computing such Wasserstein gradient flows as well as a forward scheme for so-called Wasserstein steepest descent flows by neural networks (NNs). Since we cannot restrict ourselves to absolutely continuous measures, we have to deal with transport plans and velocity plans instead of usual transport maps and velocity fields. Indeed, we approximate the disintegration of both plans by generative NNs which are learned with respect to appropriate loss functions. In order to evaluate the quality of both neural schemes, we benchmark them on the interaction energy. Here we provide analytic formulas for Wasserstein schemes starting at a Dirac measure and show their convergence as the time step size tends to zero. Finally, we illustrate our neural MMD flows by numerical examples.

cs.LG↗

arXiv2024

Posterior Sampling Based on Gradient Flows of the MMD with Negative Distance Kernel

We propose conditional flows of the maximum mean discrepancy (MMD) with the negative distance kernel for posterior sampling and conditional generative modeling. This MMD, which is also known as energy distance, has several advantageous properties like efficient computation via slicing and sorting. We approximate the joint distribution of the ground truth and the observations using discrete Wasserstein gradient flows and establish an error bound for the posterior distributions. Further, we prove that our particle flow is indeed a Wasserstein gradient flow of an appropriate functional. The power of our method is demonstrated by numerical examples including conditional image generation and inverse problems like superresolution, inpainting and computed tomography in low-dose and limited-angle settings.

stat.ML↗