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We propose a method for learning dynamical systems from high-dimensional empirical data that combines variational autoencoders and (spatio-)temporal attention within a framework designed to enforce certain scientifically-motivated…

Machine Learning · Computer Science 2023-06-22 Kai Lagemann , Christian Lagemann , Sach Mukherjee

Diffusion-based generative models learn to iteratively transfer unstructured noise to a complex target distribution as opposed to Generative Adversarial Networks (GANs) or the decoder of Variational Autoencoders (VAEs) which produce samples…

Machine Learning · Computer Science 2022-10-26 Sarthak Mittal , Guillaume Lajoie , Stefan Bauer , Arash Mehrjou

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied…

Machine Learning · Computer Science 2025-03-14 Jan-Hendrik Bastek , WaiChing Sun , Dennis M. Kochmann

Deep generative models, while revolutionizing fields like image and text generation, largely operate as opaque ``black boxes'', hindering human understanding, control, and alignment. While methods like sparse autoencoders (SAEs) show…

Machine Learning · Computer Science 2026-04-03 Lingjing Kong , Shaoan Xie , Guangyi Chen , Yuewen Sun , Xiangchen Song , Eric P. Xing , Kun Zhang

Modeling transformations between arbitrary data distributions is a fundamental scientific challenge, arising in applications like drug discovery and evolutionary simulation. While flow matching offers a natural framework for this task, its…

Machine Learning · Computer Science 2025-10-09 Shiye Su , Yuhui Zhang , Linqi Zhou , Rajesh Ranganath , Serena Yeung-Levy

We propose a general framework to learn deep generative models via \textbf{V}ariational \textbf{Gr}adient Fl\textbf{ow} (VGrow) on probability spaces. The evolving distribution that asymptotically converges to the target distribution is…

Machine Learning · Computer Science 2019-05-07 Yuan Gao , Yuling Jiao , Yang Wang , Yao Wang , Can Yang , Shunkang Zhang

Combining discrete and continuous data is an important capability for generative models. We present Discrete Flow Models (DFMs), a new flow-based model of discrete data that provides the missing link in enabling flow-based generative models…

Machine Learning · Statistics 2024-06-07 Andrew Campbell , Jason Yim , Regina Barzilay , Tom Rainforth , Tommi Jaakkola

Deep Gaussian process models typically employ discrete hierarchies, but recent advancements in differential Gaussian processes (DiffGPs) have extended these models to infinite depths. However, existing DiffGP approaches often overlook the…

Machine Learning · Computer Science 2025-12-16 Jian Xu , Zhiqi Lin , Min Chen , Junmei Yang , Delu Zeng , John Paisley

Training deep neural networks remains computationally intensive due to the itera2 tive nature of gradient-based optimization. We propose Gradient Flow Matching (GFM), a continuous-time modeling framework that treats neural network training…

Machine Learning · Computer Science 2025-05-27 Xiao Shou , Yanna Ding , Jianxi Gao

Learning multi-agent system dynamics has been extensively studied for various real-world applications, such as molecular dynamics in biology. Most of the existing models are built to learn single system dynamics from observed historical…

Machine Learning · Computer Science 2023-07-11 Zijie Huang , Yizhou Sun , Wei Wang

Flow matching is a recent state-of-the-art framework for generative modeling based on ordinary differential equations (ODEs). While closely related to diffusion models, it provides a more general perspective on generative modeling. Although…

Computer Vision and Pattern Recognition · Computer Science 2025-03-12 Jeongsol Kim , Bryan Sangwoo Kim , Jong Chul Ye

We provide a theoretical analysis for end-to-end training Discrete Flow Matching (DFM) generative models. DFM is a promising discrete generative modeling framework that learns the underlying generative dynamics by training a neural network…

Machine Learning · Computer Science 2025-09-29 Maojiang Su , Mingcheng Lu , Jerry Yao-Chieh Hu , Shang Wu , Zhao Song , Alex Reneau , Han Liu

This paper presents an evolvable conditional diffusion method such that black-box, non-differentiable multi-physics models, as are common in domains like computational fluid dynamics and electromagnetics, can be effectively used for guiding…

Machine Learning · Computer Science 2025-06-18 Zhao Wei , Chin Chun Ooi , Abhishek Gupta , Jian Cheng Wong , Pao-Hsiung Chiu , Sheares Xue Wen Toh , Yew-Soon Ong

Learning probabilistic surrogates for partial differential equations remains challenging in data-scarce regimes: neural operators require large amounts of high-fidelity data, while generative approaches typically sacrifice resolution…

Computation · Statistics 2025-12-18 Sahil Bhola , Karthik Duraisamy

We consider the application of deep generative models in propagating uncertainty through complex physical systems. Specifically, we put forth an implicit variational inference formulation that constrains the generative model output to…

Machine Learning · Statistics 2018-12-11 Yibo Yang , Paris Perdikaris

Accurate models are essential for design, performance prediction, control, and diagnostics in complex engineering systems. Physics-based models excel during the design phase but often become outdated during system deployment due to changing…

Machine Learning · Computer Science 2025-01-22 Zihan Liu , Prashant N. Kambali , C. Nataraj

Effectively modeling phenomena present in highly nonlinear dynamical systems whilst also accurately quantifying uncertainty is a challenging task, which often requires problem-specific techniques. We present a novel, domain-agnostic…

Machine Learning · Statistics 2021-10-26 Thomas M. McDonald , Mauricio A. Álvarez

We present a generative modeling framework for synthesizing physically feasible two-dimensional incompressible flows under arbitrary obstacle geometries and boundary conditions. Whereas existing diffusion-based flow generators either ignore…

Fluid Dynamics · Physics 2026-02-23 Noah Trupin , Rahul Ghosh , Aadi Jangid

Flow Matching (FM) has recently emerged as a leading approach for high-fidelity visual generation, offering a robust continuous-time alternative to ordinary differential equation (ODE) based models. However, despite their success, FM models…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Dayu Wang , Jiaye Yang , Weikang Li , Jiahui Liang , Yang Li

Latent variable time-series models are among the most heavily used tools from machine learning and applied statistics. These models have the advantage of learning latent structure both from noisy observations and from the temporal ordering…

Machine Learning · Statistics 2015-11-24 Evan Archer , Il Memming Park , Lars Buesing , John Cunningham , Liam Paninski
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