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Wasserstein gradient flows provide a powerful means of understanding and solving many diffusion equations. Specifically, Fokker-Planck equations, which model the diffusion of probability measures, can be understood as gradient descent over…

Machine Learning · Computer Science 2021-10-26 Petr Mokrov , Alexander Korotin , Lingxiao Li , Aude Genevay , Justin Solomon , Evgeny Burnaev

Many machine learning problems can be seen as approximating a \textit{target} distribution using a \textit{particle} distribution by minimizing their statistical discrepancy. Wasserstein Gradient Flow can move particles along a path that…

Machine Learning · Statistics 2024-06-07 Song Liu , Jiahao Yu , Jack Simons , Mingxuan Yi , Mark Beaumont

We present a novel approximate inference method for diffusion processes, based on the Wasserstein gradient flow formulation of the diffusion. In this formulation, the time-dependent density of the diffusion is derived as the limit of…

Machine Learning · Statistics 2018-06-13 Charlie Frogner , Tomaso Poggio

We propose a fully discrete variational scheme for nonlinear evolution equations with gradient flow structure on the space of finite Radon measures on an interval with respect to a generalized version of the Wasserstein distance with…

Numerical Analysis · Mathematics 2016-09-29 Jonathan Zinsl , Daniel Matthes

Score-based Generative Models (SGMs) approximate a data distribution by perturbing it with Gaussian noise and subsequently denoising it via a learned reverse diffusion process. These models excel at modeling complex data distributions and…

Machine Learning · Computer Science 2025-09-23 Stefano Bruno , Sotirios Sabanis

Diffusion models are one of the most important families of deep generative models. In this note, we derive a quantitative upper bound on the Wasserstein distance between the data-generating distribution and the distribution learned by a…

Machine Learning · Computer Science 2024-09-17 Sokhna Diarra Mbacke , Omar Rivasplata

Flow matching is a recent framework to train generative models that exhibits impressive empirical performance while being relatively easier to train compared with diffusion-based models. Despite its advantageous properties, prior methods…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Quan Dao , Hao Phung , Binh Nguyen , Anh Tran

Elucidating reaction mechanisms hinges on efficiently generating transition states (TSs), products, and complete reaction networks. Recent generative models, such as diffusion models for TS sampling and sequence-based architectures for…

Chemical Physics · Physics 2025-11-06 Ping Tuo , Jiale Chen , Ju Li

Flow-based generative models are a family of exact log-likelihood models with tractable sampling and latent-variable inference, hence conceptually attractive for modeling complex distributions. However, flow-based models are limited by…

Machine Learning · Computer Science 2019-05-09 Huadong Liao , Jiawei He , Kunxian Shu

Drifting models train one-step generators by optimizing a kernel-induced mean-shift discrepancy between the data and model distributions, with Laplace kernels used by default in practice. At each point, this discrepancy compares the…

Machine Learning · Computer Science 2026-05-18 Chieh-Hsin Lai , Bac Nguyen , Naoki Murata , Yuhta Takida , Toshimitsu Uesaka , Yuki Mitsufuji , Stefano Ermon , Molei Tao

We develop novel neural network-based implicit particle methods to compute high-dimensional Wasserstein-type gradient flows with linear and nonlinear mobility functions. The main idea is to use the Lagrangian formulation in the…

Numerical Analysis · Mathematics 2023-11-14 Wonjun Lee , Li Wang , Wuchen Li

We analyze the gradient flow of a potential energy in the space of probability measures when we substitute the optimal transport geometry with a geometry based on Sinkhorn divergences, a debiased version of entropic optimal transport. This…

Analysis of PDEs · Mathematics 2025-11-19 Mathis Hardion , Hugo Lavenant

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…

Machine Learning · Computer Science 2026-05-12 Moritz Piening , Richard Duong , Gabriele Steidl

This paper presents a new gradient flow dissipation geometry over non-negative and probability measures. This is motivated by a principled construction that combines the unbalanced optimal transport and interaction forces modeled by…

Machine Learning · Computer Science 2024-11-01 Egor Gladin , Pavel Dvurechensky , Alexander Mielke , Jia-Jie Zhu

Learning conditional densities and identifying factors that influence the entire distribution are vital tasks in data-driven applications. Conventional approaches work mostly with summary statistics, and are hence inadequate for a…

Methodology · Statistics 2022-09-13 Chengliang Tang , Nathan Lenssen , Ying Wei , Tian Zheng

We are interested in learning generative models for complex geometries described via manifolds, such as spheres, tori, and other implicit surfaces. Current extensions of existing (Euclidean) generative models are restricted to specific…

Machine Learning · Statistics 2021-11-04 Noam Rozen , Aditya Grover , Maximilian Nickel , Yaron Lipman

The flow matching has rapidly become a dominant paradigm in classical generative modeling, offering an efficient way to interpolate between two complex distributions. We extend this idea to the quantum realm and introduce the Quantum Flow…

Quantum Physics · Physics 2026-02-03 Zidong Cui , Pan Zhang , Ying Tang

This paper proposes a new theoretical lens to view Wasserstein generative adversarial networks (WGANs). To minimize the Wasserstein-1 distance between the true data distribution and our estimate of it, we derive a distribution-dependent…

Machine Learning · Statistics 2025-02-05 Zachariah Malik , Yu-Jui Huang

We present a framework enabling variational data assimilation for gradient flows in general metric spaces, based on the minimizing movement (or Jordan-Kinderlehrer-Otto) approximation scheme. After discussing stability properties in the…

Numerical Analysis · Mathematics 2023-01-18 Jan-F. Pietschmann , Matthias Schlottbom

We study a system of drift-diffusion PDEs for a potentially infinite number of incompressible phases, subject to a joint pointwise volume constraint. Our analysis is based on the interpretation as a collection of coupled Wasserstein…

Analysis of PDEs · Mathematics 2024-11-22 Clément Cancès , Daniel Matthes , Ismael Medina , Bernhard Schmitzer