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Flow matching casts sample generation as learning a continuous-time velocity field that transports noise to data. Existing flow matching networks typically predict each point's velocity independently, considering only its location and time…

Machine Learning · Computer Science 2025-11-11 Md Shahriar Rahim Siddiqui , Moshe Eliasof , Eldad Haber

This paper introduces a novel generative model for discrete distributions based on continuous normalizing flows on the submanifold of factorizing discrete measures. Integration of the flow gradually assigns categories and avoids issues of…

Machine Learning · Computer Science 2024-02-13 Bastian Boll , Daniel Gonzalez-Alvarado , Christoph Schnörr

Mean flow (MeanFlow) enables efficient, high-fidelity image generation, yet its single-function evaluation (1-NFE) generation often cannot yield compelling results. We address this issue by introducing RMFlow, an efficient multimodal…

Machine Learning · Computer Science 2026-02-03 Yuhao Huang , Shih-Hsin Wang , Andrea L. Bertozzi , Bao Wang

Generative modeling seeks to uncover the underlying factors that give rise to observed data that can often be modeled as the natural symmetries that manifest themselves through invariances and equivariances to certain transformation laws.…

Machine Learning · Computer Science 2022-08-16 Avishek Joey Bose , Marcus Brubaker , Ivan Kobyzev

We present a novel way to predict molecular conformers through a simple formulation that sidesteps many of the heuristics of prior works and achieves state of the art results by using the advantages of scale. By training a diffusion…

Chemical Physics · Physics 2024-05-13 Yuyang Wang , Ahmed A. Elhag , Navdeep Jaitly , Joshua M. Susskind , Miguel Angel Bautista

Generative models excel at synthesizing high-fidelity samples from complex data distributions, but they often violate hard constraints arising from physical laws or task specifications. A common remedy is to project intermediate samples…

Machine Learning · Computer Science 2025-09-30 Jinhao Liang , Yixuan Sun , Anirban Samaddar , Sandeep Madireddy , Ferdinando Fioretto

Normalizing flows are a powerful technique for obtaining reparameterizable samples from complex multimodal distributions. Unfortunately current approaches fall short when the underlying space has a non trivial topology, and are only…

Machine Learning · Statistics 2020-06-12 Luca Falorsi , Patrick Forré

Unsupervised anomaly detection is often framed around two widely studied paradigms. Deep one-class classification, exemplified by Deep SVDD, learns compact latent representations of normality, while density estimators realized by…

Machine Learning · Computer Science 2025-10-13 Faried Abu Zaid , Tim Katzke , Emmanuel Müller , Daniel Neider

Generative models have gained popularity for their potential applications in imaging science, such as image reconstruction, posterior sampling and data sharing. Flow-based generative models are particularly attractive due to their ability…

Machine Learning · Computer Science 2023-12-14 Varun A. Kelkar , Rucha Deshpande , Arindam Banerjee , Mark A. Anastasio

Predicting interfacial thermodynamics across molecular and continuum scales remains a central challenge in computational science. Classical density functional theory (cDFT) provides a first-principles route to connect microscopic…

Computational Physics · Physics 2026-01-01 Edoardo Monti , Peter Yatsyshin , Konstantinos Gkagkas , Andrew B. Duncan

We investigate the dependence of the approximation capacity of deep residual networks on its depth in a continuous dynamical systems setting. This can be formulated as the general problem of quantifying the minimal time-horizon required to…

Machine Learning · Computer Science 2026-03-19 Jingpu Cheng , Qianxiao Li , Ting Lin , Zuowei Shen

Rapid and accurate simulations of fluid dynamics around complicated geometric bodies are critical in a variety of engineering and scientific applications, including aerodynamics and biomedical flows. However, while scientific machine…

Generative models have proven effective at modeling 3D shapes and their statistical variations. In this paper we investigate their application to point clouds, a 3D shape representation widely used in computer vision for which, however,…

Computer Vision and Pattern Recognition · Computer Science 2020-07-21 Roman Klokov , Edmond Boyer , Jakob Verbeek

Density estimation, which estimates the distribution of data, is an important category of probabilistic machine learning. A family of density estimators is mixture models, such as Gaussian Mixture Model (GMM) by expectation maximization.…

Machine Learning · Statistics 2023-10-18 Benyamin Ghojogh , Milad Amir Toutounchian

A recent study in turbulent flow simulation demonstrated the potential of generative diffusion models for fast 3D surrogate modeling. This approach eliminates the need for specifying initial states or performing lengthy simulations,…

Fluid Dynamics · Physics 2024-07-30 Abdullah Saydemir , Marten Lienen , Stephan Günnemann

Autoregressive models are among the best performing neural density estimators. We describe an approach for increasing the flexibility of an autoregressive model, based on modelling the random numbers that the model uses internally when…

Machine Learning · Statistics 2018-06-15 George Papamakarios , Theo Pavlakou , Iain Murray

The particle-flow (PF) algorithm is used in general-purpose particle detectors to reconstruct a comprehensive particle-level view of the collision by combining information from different subdetectors. A graph neural network (GNN) model,…

Data Analysis, Statistics and Probability · Physics 2021-11-29 Farouk Mokhtar , Raghav Kansal , Daniel Diaz , Javier Duarte , Joosep Pata , Maurizio Pierini , Jean-Roch Vlimant

We propose conformal generative modeling, a framework for generative modeling on 2D surfaces approximated by discrete triangle meshes. Our approach leverages advances in discrete conformal geometry to develop a map from a source triangle…

Machine Learning · Computer Science 2023-03-21 Victor Dorobantu , Charlotte Borcherds , Yisong Yue

Neural random fields (NRFs), referring to a class of generative models that use neural networks to implement potential functions in random fields (a.k.a. energy-based models), are not new but receive less attention with slow progress.…

Machine Learning · Statistics 2020-07-23 Yunfu Song , Zhijian Ou

Normalizing flows and autoregressive models have been successfully combined to produce state-of-the-art results in density estimation, via Masked Autoregressive Flows (MAF), and to accelerate state-of-the-art WaveNet-based speech synthesis…

Machine Learning · Computer Science 2018-04-04 Chin-Wei Huang , David Krueger , Alexandre Lacoste , Aaron Courville