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Normalizing flows can transform a simple prior probability distribution into a more complex target distribution. Here, we evaluate the ability and efficiency of generative machine learning methods to sample the Boltzmann distribution of an…

Soft Condensed Matter · Physics 2024-09-16 Gerhard Jung , Giulio Biroli , Ludovic Berthier

Recently, Flow Matching models have pushed the boundaries of high-fidelity data generation across a wide range of domains. It typically employs a single large network to learn the entire generative trajectory from noise to data. Despite…

Computer Vision and Pattern Recognition · Computer Science 2025-10-27 Dogyun Park , Taehoon Lee , Minseok Joo , Hyunwoo J. Kim

The Wasserstein-Fisher-Rao (WFR) metric extends dynamic optimal transport (OT) by coupling displacement with change of mass, providing a principled geometry for modeling unbalanced snapshot dynamics. Existing WFR solvers, however, are often…

Machine Learning · Computer Science 2026-04-03 Qiangwei Peng , Zihan Wang , Junda Ying , Yuhao Sun , Qing Nie , Lei Zhang , Tiejun Li , Peijie Zhou

Score-based diffusion models currently constitute the state of the art in continuous generative modeling. These methods are typically formulated via overdamped or underdamped Ornstein--Uhlenbeck-type stochastic differential equations, in…

Machine Learning · Computer Science 2025-12-22 Herlock Rahimi

Two fundamental problems in unsupervised learning are efficient inference for latent-variable models and robust density estimation based on large amounts of unlabeled data. Algorithms for the two tasks, such as normalizing flows and…

Machine Learning · Statistics 2018-08-02 Changyou Chen , Chunyuan Li , Liqun Chen , Wenlin Wang , Yunchen Pu , Lawrence Carin

Efficiently generating statistically independent samples from an unnormalized probability distribution, such as equilibrium samples of many-body systems, is a foundational problem in science. In this paper, we propose Iterated Denoising…

Flow matching has recently emerged as a promising alternative to diffusion-based generative models, offering faster sampling and simpler training by learning continuous flows governed by ordinary differential equations. Despite growing…

Machine Learning · Computer Science 2025-12-02 Mudit Gaur , Prashant Trivedi , Shuchin Aeron , Amrit Singh Bedi , George K. Atia , Vaneet Aggarwal

We introduce Statistical Flow Matching (SFM), a novel and mathematically rigorous flow-matching framework on the manifold of parameterized probability measures inspired by the results from information geometry. We demonstrate the…

Machine Learning · Computer Science 2025-11-26 Chaoran Cheng , Jiahan Li , Jian Peng , Ge Liu

Efficient sampling of the Boltzmann distribution of molecular systems is a long-standing challenge. Recently, instead of generating long molecular dynamics simulations, generative machine learning methods such as normalizing flows have been…

Machine Learning · Computer Science 2024-08-06 Henrik Schopmans , Pascal Friederich

Energy-based models (EBMs) are a powerful class of probabilistic generative models due to their flexibility and interpretability. However, relationships between potential flows and explicit EBMs remain underexplored, while contrastive…

Standard flow matching scales well but typically relies on an unstructured source distribution, limiting its ability to learn interpretable latent structure. Latent-variable models, by contrast, capture structure but often sacrifice…

Machine Learning · Computer Science 2026-05-11 Xavier Sumba , Carles Balsells-Rodas , Yingzhen Li

Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have been held back by limitations in their simulation-based maximum likelihood training. We introduce the generalized conditional flow matching…

We introduce ContinualFlow, a principled framework for targeted unlearning in generative models via Flow Matching. Our method leverages an energy-based reweighting loss to softly subtract undesired regions of the data distribution without…

Machine Learning · Computer Science 2025-06-24 Lorenzo Simone , Davide Bacciu , Shuangge Ma

Normalizing flows are a popular class of models for approximating probability distributions. However, their invertible nature limits their ability to model target distributions whose support have a complex topological structure, such as…

Machine Learning · Statistics 2022-02-25 Vincent Stimper , Bernhard Schölkopf , José Miguel Hernández-Lobato

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

Continuous normalizing flows (CNFs) can model data distributions with expressive infinite-length architectures. But this modeling involves computationally expensive process of solving an ordinary differential equation (ODE) during maximum…

Machine Learning · Computer Science 2024-10-15 Denis Gudovskiy , Tomoyuki Okuno , Yohei Nakata

Continuous diffusion and flow matching models could represent a powerful alternative to autoregressive approaches for language modelling (LM), as they unlock a host of advantages currently reserved for continuous modalities, including…

Machine Learning · Computer Science 2026-05-12 Oscar Davis , Anastasiia Filippova , Pierre Ablin , Victor Turrisi , Amitis Shidani , Marco Cuturi , Louis Béthune

Developing an efficient sampler capable of generating independent and identically distributed (IID) samples from a Boltzmann distribution is a crucial challenge in scientific research, e.g. molecular dynamics. In this work, we intend to…

Machine Learning · Computer Science 2026-03-10 RuiKang OuYang , Bo Qiang , José Miguel Hernández-Lobato

Flow matching (FM) is a family of training algorithms for fitting continuous normalizing flows (CNFs). Conditional flow matching (CFM) exploits the fact that the marginal vector field of a CNF can be learned by fitting least-squares…

Machine Learning · Statistics 2025-02-04 Ganchao Wei , Li Ma

Numerous biological and physical processes can be modeled as systems of interacting entities evolving continuously over time, e.g. the dynamics of communicating cells or physical particles. Learning the dynamics of such systems is essential…