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The convergence of statistical learning and molecular physics is transforming our approach to modeling biomolecular systems. Physics-informed machine learning (PIML) offers a systematic framework that integrates data-driven inference with…

Biomolecules · Quantitative Biology 2025-11-11 Aaryesh Deshpande

Physical processes evolving in both time and space are often modeled using Partial Differential Equations (PDEs). Recently, it has been shown how stability analysis and control of coupled PDEs in a single spatial variable can be more…

Analysis of PDEs · Mathematics 2026-05-20 Declan S. Jagt , Matthew M. Peet

Physics-informed machine learning combines the expressiveness of data-based approaches with the interpretability of physical models. In this context, we consider a general regression problem where the empirical risk is regularized by a…

Artificial Intelligence · Computer Science 2025-07-15 Nathan Doumèche , Francis Bach , Gérard Biau , Claire Boyer

We propose a novel approach to model viscoelasticity materials using neural networks, which capture rate-dependent and nonlinear constitutive relations. However, inputs and outputs of the neural networks are not directly observable, and…

Numerical Analysis · Mathematics 2020-05-12 Kailai Xu , Alexandre M. Tartakovsky , Jeff Burghardt , Eric Darve

Metal additive manufacturing enables unprecedented design freedom and the production of customized, complex components. However, the rapid melting and solidification dynamics inherent to metal AM processes generate heterogeneous,…

Machine Learning · Computer Science 2025-05-05 D. Patel , R. Sharma , Y. B. Guo

We consider elliptic diffusion problems with a random anisotropic diffusion coefficient, where, in a notable direction given by a random vector field, the diffusion strength differs from the diffusion strength perpendicular to this notable…

Numerical Analysis · Mathematics 2018-02-13 Helmut Harbrecht , Marc Schmidlin

Identifying model parameters from observed configurations poses a fundamental challenge in data science, especially with limited data. Recently, diffusion models have emerged as a novel paradigm in generative machine learning, capable of…

Data Analysis, Statistics and Probability · Physics 2025-03-14 Yechan Lim , Sangwon Lee , Junghyo Jo

The combination of machine learning models with physical models is a recent research path to learn robust data representations. In this paper, we introduce p$^3$VAE, a variational autoencoder that integrates prior physical knowledge about…

Computer Vision and Pattern Recognition · Computer Science 2025-02-27 Romain Thoreau , Laurent Risser , Véronique Achard , Béatrice Berthelot , Xavier Briottet

We present a new data-driven reduced-order modeling approach to efficiently solve parametrized partial differential equations (PDEs) for many-query problems. This work is inspired by the concept of implicit neural representation (INR),…

Numerical Analysis · Mathematics 2023-11-30 Tianshu Wen , Kookjin Lee , Youngsoo Choi

Neural solvers for partial differential equations (PDEs) have great potential to generate fast and accurate physics solutions, yet their practicality is currently limited by their generalizability. PDEs evolve over broad scales and exhibit…

Machine Learning · Computer Science 2024-12-06 Anthony Zhou , Amir Barati Farimani

We extract data-driven, intrinsic spatial coordinates from observations of the dynamics of large systems of coupled heterogeneous agents. These coordinates then serve as an emergent space in which to learn predictive models in the form of…

Adaptation and Self-Organizing Systems · Physics 2020-12-24 Felix P. Kemeth , Tom Bertalan , Thomas Thiem , Felix Dietrich , Sung Joon Moon , Carlo R. Laing , Ioannis G. Kevrekidis

We propose an alternative method to generate samples of a spatially correlated random field with applications to large-scale problems for forward propagation of uncertainty. A classical approach for generating these samples is the…

Numerical Analysis · Mathematics 2017-03-27 Sarah Osborn , Panayot Vassilevski , Umberto Villa

We consider the problem of making nonparametric inference in a class of multi-dimensional diffusions in divergence form, from low-frequency data. Statistical analysis in this setting is notoriously challenging due to the intractability of…

Methodology · Statistics 2025-01-23 Matteo Giordano , Sven Wang

The Karhunen-Lo\`eve transform (KLT) stands as a well-established discrete transform, demonstrating optimal characteristics in data decorrelation and dimensionality reduction. Its ability to condense energy compression into a select few…

Signal Processing · Electrical Eng. & Systems 2024-10-15 A. P. Radünz , D. F. G. Coelho , F. M. Bayer , R. J. Cintra , A. Madanayake

In this paper, an adaptive non-parametric method is proposed to estimate the scalar-valued nonlinear function that appears in uncertain systems governed by ordinary differential equations (ODEs). By employing an infinite-dimensional…

Optimization and Control · Mathematics 2021-03-15 Jia Guo , Sai Tej Paruchuri , Andrew J. Kurdila

Physics-informed machine learning (PIML) as a means of solving partial differential equations (PDE) has garnered much attention in the Computational Science and Engineering (CS&E) world. This topic encompasses a broad array of methods and…

Machine Learning · Computer Science 2024-09-05 Michael Penwarden , Houman Owhadi , Robert M. Kirby

We present two effective methods for solving high-dimensional partial differential equations (PDE) based on randomized neural networks. Motivated by the universal approximation property of this type of networks, both methods extend the…

Numerical Analysis · Mathematics 2023-09-14 Yiran Wang , Suchuan Dong

Physics-informed machine learning offers a promising framework for solving complex partial differential equations (PDEs) by integrating observational data with governing physical laws. However, learning PDEs with varying parameters and…

Machine Learning · Computer Science 2026-03-17 Zhuoyuan Wang , Raffaele Romagnoli , Saviz Mowlavi , Yorie Nakahira

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

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
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