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Given nonstationary data from molecular dynamics simulations, a Markovian Langevin model is constructed that aims to reproduce the time evolution of the underlying process. While at equilibrium the free energy landscape is sampled,…

Computational Physics · Physics 2021-07-20 Benjamin Lickert , Steffen Wolf , Gerhard Stock

We introduce a novel particle-based algorithm for end-to-end training of latent diffusion models. We reformulate the training task as minimizing a free energy functional and obtain a gradient flow that does so. By approximating the latter…

Machine Learning · Statistics 2026-03-31 Tim Y. J. Wang , Juan Kuntz , O. Deniz Akyildiz

In many scientific fields, the generation and evolution of data are governed by partial differential equations (PDEs) which are typically informed by established physical laws at the macroscopic level to describe general and predictable…

Methodology · Statistics 2025-07-01 Ziyuan Chen , Shunxing Yan , Fang Yao

Partial differential equations (PDEs) involving high contrast and oscillating coefficients are common in scientific and industrial applications. Numerical approximation of these PDEs is a challenging task that can be addressed, for example,…

Numerical Analysis · Mathematics 2024-05-08 Miranda Boutilier , Konstantin Brenner , Larissa Miguez

We consider scalar semilinear elliptic PDEs, where the nonlinearity is strongly monotone, but only locally Lipschitz continuous. To linearize the arising discrete nonlinear problem, we employ a damped Zarantonello iteration, which leads to…

Numerical Analysis · Mathematics 2025-03-13 Maximilian Brunner , Dirk Praetorius , Julian Streitberger

We consider a linear elliptic partial differential equation (PDE) with a generic uniformly bounded parametric coefficient. The solution to this PDE problem is approximated in the framework of stochastic Galerkin finite element methods. We…

Numerical Analysis · Mathematics 2020-06-05 Alex Bespalov , Feng Xu

We introduce the multivariate decomposition finite element method (MDFEM) for solving elliptic PDEs with uniform random diffusion coefficients. We show that the MDFEM can be used to reduce the computational complexity of estimating the…

Numerical Analysis · Mathematics 2021-07-28 Dong T. P. Nguyen , Dirk Nuyens

We consider a partial differential equation (PDE) model to predict residential burglary derived from a probabilistic agent-based model through a mean-field limit operation. The PDE model is a nonlinear, coupled system of two equations in…

Numerical Analysis · Mathematics 2025-08-18 Baoli Hao , Kamrun Mily , Annalisa Quaini , Ming Zhong

Latent variable models are an elegant framework for capturing rich probabilistic dependencies in many applications. However, current approaches typically parametrize these models using conditional probability tables, and learning relies…

Machine Learning · Computer Science 2012-10-19 Ankur P. Parikh , Le Song , Mariya Ishteva , Gabi Teodoru , Eric P. Xing

A well-established approach for inferring full displacement and stress fields from possibly sparse data is to calibrate the parameter of a given constitutive model using a Bayesian update. After calibration, a (stochastic) forward…

Computational Engineering, Finance, and Science · Computer Science 2023-08-09 Vahab B. Narouie , Henning Wessels , Ulrich Römer

Several novel imaging and non-destructive testing technologies are based on reconstructing the spatially dependent coefficient in an elliptic partial differential equation from measurements of its solution(s). In practical applications, the…

Numerical Analysis · Mathematics 2021-08-27 Bastian Harrach

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

This is a survey on the theory of adaptive finite element methods (AFEMs), which are fundamental in modern computational science and engineering but whose mathematical assessment is a formidable challenge. We present a self-contained and…

Numerical Analysis · Mathematics 2024-11-20 Andrea Bonito , Claudio Canuto , Ricardo H. Nochetto , Andreas Veeser

We propose a novel discrete Poisson equation approach to estimate the statistical error of a broad class of numerical integrators for the underdamped Langevin dynamics. The statistical error refers to the mean square error of the estimator…

Numerical Analysis · Mathematics 2024-05-14 Xuda Ye , Zhennan Zhou

We describe a stochastic, dynamical system capable of inference and learning in a probabilistic latent variable model. The most challenging problem in such models - sampling the posterior distribution over latent variables - is proposed to…

Machine Learning · Statistics 2022-07-26 Michael Y. -S. Fang , Mayur Mudigonda , Ryan Zarcone , Amir Khosrowshahi , Bruno A. Olshausen

We construct a finite element method (FEM) for the infinity Laplacian. Solutions of this problem may be singular, which has prompted us to conduct an a posteriori analysis of the method deriving residual based estimators to drive an…

Numerical Analysis · Mathematics 2017-05-17 Omar Lakkis , Tristan Pryer

Nonlinear dynamics is a pervasive phenomenon observed in scientific and engineering disciplines. However, the task of deriving analytical expressions to describe nonlinear dynamics from limited data remains challenging. In this paper, we…

Machine Learning · Computer Science 2026-01-22 Zhongyi Jiang , Chunmei Wang , Haizhao Yang

Formulated is a new systematic method for obtaining higher order corrections in numerical simulation of stochastic differential equations (SDEs), i.e., Langevin equations. Random walk step algorithms within a given order of finite $\Delta…

High Energy Physics - Lattice · Physics 2009-10-28 H. Nakajima , S. Furui

This paper develops a probabilistic numerical method for solution of partial differential equations (PDEs) and studies application of that method to PDE-constrained inverse problems. This approach enables the solution of challenging inverse…

Methodology · Statistics 2017-07-12 Jon Cockayne , Chris Oates , Tim Sullivan , Mark Girolami

In this work, we present a hybrid numerical method for solving evolution partial differential equations (PDEs) by merging the time finite element method with deep neural networks. In contrast to the conventional deep learning-based…

Numerical Analysis · Mathematics 2024-09-05 Xiaodong Feng , Haojiong Shangguan , Tao Tang , Xiaoliang Wan , Tao Zhou