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Modeling and simulation of complex fluid flows with dynamics that span multiple spatio-temporal scales is a fundamental challenge in many scientific and engineering domains. Full-scale resolving simulations for systems such as highly…

Machine Learning · Computer Science 2025-02-13 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

We introduce a generative learning framework to model high-dimensional parametric systems using gradient guidance and virtual observations. We consider systems described by Partial Differential Equations (PDEs) discretized with structured…

Machine Learning · Computer Science 2024-08-02 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

A generative modeling framework is proposed that combines diffusion models and manifold learning to efficiently sample data densities on manifolds. The approach utilizes Diffusion Maps to uncover possible low-dimensional underlying (latent)…

Machine Learning · Computer Science 2025-04-22 Dimitris G. Giovanis , Ellis Crabtree , Roger G. Ghanem , Ioannis G. Kevrekidis

Predictive simulations of complex systems are essential for applications ranging from weather forecasting to drug design. The veracity of these predictions hinges on their capacity to capture the effective system dynamics. Massively…

Computational Physics · Physics 2021-10-20 Pantelis R. Vlachas , Georgios Arampatzis , Caroline Uhler , Petros Koumoutsakos

Simulations are vital for understanding and predicting the evolution of complex molecular systems. However, despite advances in algorithms and special purpose hardware, accessing the timescales necessary to capture the structural evolution…

Computational Physics · Physics 2021-02-18 Pantelis R. Vlachas , Julija Zavadlav , Matej Praprotnik , Petros Koumoutsakos

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be…

High Energy Physics - Phenomenology · Physics 2026-04-30 Zachary Bogorad , Ibrahim Elsharkawy , Yonatan Kahn , Andrew J. Larkoski , Noam Levi

The modeling and simulation of high-dimensional multiscale systems is a critical challenge across all areas of science and engineering. It is broadly believed that even with today's computer advances resolving all spatiotemporal scales…

Machine Learning · Statistics 2023-09-13 Emmanuel Menier , Sebastian Kaltenbach , Mouadh Yagoubi , Marc Schoenauer , Petros Koumoutsakos

We introduce manifold-learning flows (M-flows), a new class of generative models that simultaneously learn the data manifold as well as a tractable probability density on that manifold. Combining aspects of normalizing flows, GANs,…

Machine Learning · Statistics 2020-11-16 Johann Brehmer , Kyle Cranmer

This paper introduces an active learning framework for manifold Gaussian Process (GP) regression, combining manifold learning with strategic data selection to improve accuracy in high-dimensional spaces. Our method jointly optimizes a…

Machine Learning · Statistics 2026-05-12 Yuanxing Cheng , Lulu Kang , Yiwei Wang , Chun Liu

Learning or identifying dynamics from a sequence of high-dimensional observations is a difficult challenge in many domains, including reinforcement learning and control. The problem has recently been studied from a generative perspective…

Robotics · Computer Science 2022-07-12 Oliver Limoyo , Bryan Chan , Filip Marić , Brandon Wagstaff , Rupam Mahmood , Jonathan Kelly

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

Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spectroscopy, photochemistry, and ultrafast science. Yet, while…

Computational Physics · Physics 2025-09-03 Yuan Chiang , Youngsoo Choi , Daniel Osei-Kuffuor

Popular generative model learning methods such as Generative Adversarial Networks (GANs), and Variational Autoencoders (VAE) enforce the latent representation to follow simple distributions such as isotropic Gaussian. In this paper, we…

Machine Learning · Computer Science 2018-03-15 Cem Subakan , Oluwasanmi Koyejo , Paris Smaragdis

Modern generative models are roughly divided into two main categories: (1) models that can produce high-quality random samples, but cannot estimate the exact density of new data points and (2) those that provide exact density estimation, at…

Machine Learning · Computer Science 2022-06-24 Omri Ben-Dov , Pravir Singh Gupta , Victoria Fernandez Abrevaya , Michael J. Black , Partha Ghosh

In this manuscript, we consider the problem of learning a flow or diffusion-based generative model parametrized by a two-layer auto-encoder, trained with online stochastic gradient descent, on a high-dimensional target density with an…

Machine Learning · Computer Science 2025-11-11 Hugo Cui , Cengiz Pehlevan , Yue M. Lu

In recent years there has been increased interest in understanding the interplay between deep generative models (DGMs) and the manifold hypothesis. Research in this area focuses on understanding the reasons why commonly-used DGMs succeed or…

Machine Learning · Computer Science 2024-09-27 Gabriel Loaiza-Ganem , Brendan Leigh Ross , Rasa Hosseinzadeh , Anthony L. Caterini , Jesse C. Cresswell

While the manifold hypothesis is widely adopted in modern machine learning, complex data is often better modeled as stratified spaces -- unions of manifolds (strata) of varying dimensions. Stratified learning is challenging due to varying…

Machine Learning · Statistics 2026-04-14 Randy Martinez , Rong Tang , Lizhen Lin

Visualizing high-dimensional datasets through a generalized embedding has been a challenge for a long time. Several methods have shown up for the same, but still, they have not been able to generate a generalized embedding, which not only…

Machine Learning · Computer Science 2024-10-21 Chayan Maitra , Rajat K. De

The commonly used latent space embedding techniques, such as Principal Component Analysis, Factor Analysis, and manifold learning techniques, are typically used for learning effective representations of homogeneous data. However, they do…

Machine Learning · Computer Science 2021-10-04 Yasin Yilmaz , Mehmet Aktukmak , Alfred O. Hero

Automatically reasoning about future human behaviors is a difficult problem but has significant practical applications to assistive systems. Part of this difficulty stems from learning systems' inability to represent all kinds of behaviors.…

Computer Vision and Pattern Recognition · Computer Science 2020-04-07 Jiaqi Guan , Ye Yuan , Kris M. Kitani , Nicholas Rhinehart
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