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Physics-guided sampling with diffusion model priors has shown promise for solving partial differential equation (PDE) governed problems, but applications to chemically meaningful reaction-transport systems remain limited. We apply…

Chemical Physics · Physics 2026-03-06 Andrew Millard , Henrik Pedersen

Partial differential equations (PDEs) play a fundamental role in modeling and simulating problems across a wide range of disciplines. Recent advances in deep learning have shown the great potential of physics-informed neural networks…

Machine Learning · Computer Science 2022-01-31 Pu Ren , Chengping Rao , Yang Liu , Jianxun Wang , Hao Sun

We propose DiffusionRollout, a novel selective rollout planning strategy for autoregressive diffusion models, aimed at mitigating error accumulation in long-horizon predictions of physical systems governed by partial differential equations…

Artificial Intelligence · Computer Science 2026-02-17 Seungwoo Yoo , Juil Koo , Daehyeon Choi , Minhyuk Sung

Deep neural networks (DNN) have been used to model nonlinear relations between physical quantities. Those DNNs are embedded in physical systems described by partial differential equations (PDE) and trained by minimizing a loss function that…

Numerical Analysis · Mathematics 2020-02-26 Kailai Xu , Eric Darve

In the field of inverse estimation for systems modeled by partial differential equations (PDEs), challenges arise when estimating high- (or even infinite-) dimensional parameters. Typically, the ill-posed nature of such problems…

Computational Engineering, Finance, and Science · Computer Science 2024-08-30 Yankun Hong , Harshit Bansal , Karen Veroy

Diffusion models have been used as priors for solving inverse problems. However, existing approaches typically overlook side information that could significantly improve reconstruction quality, especially in severely ill-posed settings. In…

Computer Vision and Pattern Recognition · Computer Science 2026-05-27 Mahdi Farahbakhsh , Vishnu Teja Kunde , Dileep Kalathil , Krishna Narayanan , Jean-Francois Chamberland

Inverse design problems are common in engineering and materials science. The forward direction, i.e., computing output quantities from design parameters, typically requires running a numerical simulation, such as a FEM, as an intermediate…

Machine Learning · Computer Science 2026-02-18 Jens U. Kreber , Christian Weißenfels , Joerg Stueckler

Diffusion models are the mainstream approach for time series generation tasks. However, existing diffusion models for time series generation require retraining the entire framework to introduce specific conditional guidance. There also…

Machine Learning · Computer Science 2025-09-25 Mingchun Sun , Rongqiang Zhao , Hengrui Hu , Songyu Ding , Jie Liu

Mathematical models describing the spatial spreading and invasion of populations of biological cells are often developed in a continuum modelling framework using reaction-diffusion equations. While continuum models based on linear diffusion…

Cellular Automata and Lattice Gases · Physics 2024-01-23 Matthew J Simpson , Keeley M Murphy , Scott W McCue , Pascal R Buenzli

We develop a class of data-driven generative models that approximate the solution operator for parameter-dependent partial differential equations (PDE). We propose a novel probabilistic formulation of the operator learning problem based on…

Numerical Analysis · Mathematics 2026-04-21 Ting Wang , Petr Plechac , Jaroslaw Knap

Deep learning has revolutionized the field of computer vision by introducing large scale neural networks with millions of parameters. Training these networks requires massive datasets and leads to intransparent models that can fail to…

Computer Vision and Pattern Recognition · Computer Science 2024-05-24 Tom Fischer , Pascal Peter , Joachim Weickert , Eddy Ilg

Diffusion models (DMs) have proven to be effective in modeling high-dimensional distributions, leading to their widespread adoption for representing complex priors in Bayesian inverse problems (BIPs). However, current DM-based posterior…

Machine Learning · Computer Science 2025-06-06 Haoxuan Chen , Yinuo Ren , Martin Renqiang Min , Lexing Ying , Zachary Izzo

The reconstruction of unsteady flow fields from limited measurements is a challenging and crucial task for many engineering applications. Machine learning models are gaining popularity for solving this problem due to their ability to learn…

Fluid Dynamics · Physics 2026-01-09 Marc Amorós-Trepat , Luis Medrano-Navarro , Qiang Liu , Luca Guastoni , Nils Thuerey

Diffusion models have demonstrated empirical successes in various applications and can be adapted to task-specific needs via guidance. This paper studies a form of gradient guidance for adapting a pre-trained diffusion model towards…

Machine Learning · Statistics 2024-10-17 Yingqing Guo , Hui Yuan , Yukang Yang , Minshuo Chen , Mengdi Wang

Partial differential equations (PDEs) that fit scientific data can represent physical laws with explainable mechanisms for various mathematically-oriented subjects, such as physics and finance. The data-driven discovery of PDEs from…

Machine Learning · Computer Science 2023-05-29 Yingtao Luo , Qiang Liu , Yuntian Chen , Wenbo Hu , Tian Tian , Jun Zhu

Diffusion models have recently emerged as a potent tool in generative modeling. However, their inherent iterative nature often results in sluggish image generation due to the requirement for multiple model evaluations. Recent progress has…

Machine Learning · Computer Science 2024-11-14 Joshua Tian Jin Tee , Kang Zhang , Hee Suk Yoon , Dhananjaya Nagaraja Gowda , Chanwoo Kim , Chang D. Yoo

Diffusion models have emerged as powerful generative tools for modeling complex data distributions, yet their purely data-driven nature limits applicability in practical engineering and scientific problems where physical laws need to be…

We propose a novel composite framework to find unknown fields in the context of inverse problems for partial differential equations (PDEs). We blend the high expressibility of deep neural networks as universal function estimators with the…

Numerical Analysis · Mathematics 2021-06-02 Samira Pakravan , Pouria A. Mistani , Miguel Angel Aragon-Calvo , Frederic Gibou

This paper gives direct derivations of the differential equations and likelihood formulas of diffusion models assuming only knowledge of Gaussian distributions. A VAE analysis derives both forward and backward stochastic differential…

Machine Learning · Computer Science 2023-03-07 David McAllester

We present a novel approach that redefines the traditional interpretation of explicit and implicit discretization methods for solving a general class of advection-diffusion equations (ADEs) featuring nonlinear advection, diffusion…

Analysis of PDEs · Mathematics 2025-06-10 Amin Jafarimoghaddam , Manuel Soler , Irene Ortiz