Artificial intelligence for science in quantum, atomistic, and continuum systems

X Zhang, L Wang, J Helwig, Y Luo, C Fu, Y Xie… - arXiv preprint arXiv …, 2023 - arxiv.org
Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural
sciences. Today, AI has started to advance natural sciences by improving, accelerating, and …

Group equivariant fourier neural operators for partial differential equations

J Helwig, X Zhang, C Fu, J Kurtin… - arXiv preprint arXiv …, 2023 - arxiv.org
We consider solving partial differential equations (PDEs) with Fourier neural operators
(FNOs), which operate in the frequency domain. Since the laws of physics do not depend on …

Neural inverse operators for solving PDE inverse problems

R Molinaro, Y Yang, B Engquist, S Mishra - arXiv preprint arXiv …, 2023 - arxiv.org
A large class of inverse problems for PDEs are only well-defined as mappings from
operators to functions. Existing operator learning frameworks map functions to functions and …

Transformer meets boundary value inverse problem

R Guo, S Cao, L Chen - International Conference on Learning …, 2023 - par.nsf.gov
A Transformer-based deep direct sampling method is proposed for electrical impedance
tomography, a well-known severely ill-posed nonlinear boundary value inverse problem. A …

[HTML][HTML] Solving partial differential equations using large-data models: a literature review

AM Hafiz, I Faiq, M Hassaballah - Artificial Intelligence Review, 2024 - Springer
Abstract Mathematics lies at the heart of engineering science and is very important for
capturing and modeling of diverse processes. These processes may be naturally-occurring …

Multi-scale message passing neural pde solvers

L Equer, TK Rusch, S Mishra - arXiv preprint arXiv:2302.03580, 2023 - arxiv.org
We propose a novel multi-scale message passing neural network algorithm for learning the
solutions of time-dependent PDEs. Our algorithm possesses both temporal and spatial multi …

Learning Space-Time Continuous Latent Neural PDEs from Partially Observed States

V Iakovlev, M Heinonen… - Advances in Neural …, 2024 - proceedings.neurips.cc
We introduce a novel grid-independent model for learning partial differential equations
(PDEs) from noisy and partial observations on irregular spatiotemporal grids. We propose a …

Learning Efficient Surrogate Dynamic Models with Graph Spline Networks

C Hua, F Berto, M Poli… - Advances in Neural …, 2024 - proceedings.neurips.cc
While complex simulations of physical systems have been widely used in engineering and
scientific computing, lowering their often prohibitive computational requirements has only …

Recent Advances on Machine Learning for Computational Fluid Dynamics: A Survey

H Wang, Y Cao, Z Huang, Y Liu, P Hu, X Luo… - arXiv preprint arXiv …, 2024 - arxiv.org
This paper explores the recent advancements in enhancing Computational Fluid Dynamics
(CFD) tasks through Machine Learning (ML) techniques. We begin by introducing …

Vectorized Conditional Neural Fields: A Framework for Solving Time-dependent Parametric Partial Differential Equations

J Hagnberger, M Kalimuthu, D Musekamp… - arXiv preprint arXiv …, 2024 - arxiv.org
Transformer models are increasingly used for solving Partial Differential Equations (PDEs).
Several adaptations have been proposed, all of which suffer from the typical problems of …