arXiv Machine Learning

From Numerical Simulators of PDEs to Neural Emulators and Back

arXiv AI
Jun 26

Error-Conditioned Neural Solvers

arXiv:2606. 27354v1 Announce Type: cross Abstract: Neural surrogate models offer fast approximate mappings from PDE parameters to solutions, but they typically treat solving as a purely statistical task: once trained, they struggle to correct their own constraint violations and extrapolate beyond the training distribution.

By Haina Jiang, Liam Wang, Peng-Chen Chen, Min Seop Kwak, Seungryong Kim, Brian Bell, Jeong Joon Park
arXiv Machine Learning
Jul 21

One-shot acceleration of transient PDE solvers via online-learned preconditioners

arXiv:2509. 08765v4 Announce Type: replace-cross Abstract: Data-driven acceleration of scientific computing workflows has been a high-profile aim of machine learning (ML) for science, with numerical simulation of transient partial differential equations (PDEs) being one of the main applications.

By Mikhail Khodak, Min Ki Jung, Brian Wynne, Edmond Chow, Egemen Kolemen
arXiv AI
Jul 14

Reinforcement Learning with Verifiable Physics: Post-training LLMs with Continuous Rewards

arXiv:2607. 10474v1 Announce Type: cross Abstract: Partial differential equations (PDEs) are foundational to modeling in science and engineering, but constructing reliable numerical solvers remains labor-intensive, demanding expert knowledge of discretization schemes, stability conditions, and boundary treatments.

By Pengfei Cai, Utkarsh Utkarsh, Alan Edelman, Christopher Vincent Rackauckas, Rafael Gomez-Bombarelli
arXiv Machine Learning
Aug 12

DEFT: Data-Efficient Frequency-domain Top-k Sampling via Inverse Discrete Fourier Transform for Spatiotemporal Dynamical Systems Modeling

arXiv:2608. 11019v1 Announce Type: new Abstract: Modeling spatiotemporal dynamical systems governed by partial differential equations (PDEs) poses two major challenges: it either requires expensive physics-based simulators that entail iterative numerical solving at high computational cost, or it depends on abundant training data, yet purely data-driven models often generalize poorly to downstream dynamic operating conditions.

By Hengbo Xiao, Jiale Liu, Jiahao Song, Guannan He
arXiv Machine Learning
Jun 5

When Attention Beats Fourier: Multi-Scale Transformers for PDE Solving on Irregular Domains

arXiv:2605. 08318v2 Announce Type: replace Abstract: We study the problem of \emph{architecture selection} for deep learning models trained to solve partial differential equations (PDEs), asking when transformer-based architectures with learned attention outperform Fourier-domain neural operators.

By Brandon Yee, Pairie Koh, Jack Rodriguez, Mihir Tekal
arXiv Machine Learning
Aug 7

Kastor: An efficient fine-tuning strategy for generative emulation of PDE simulations

arXiv:2608. 06107v1 Announce Type: new Abstract: Machine learning offers a promising avenue to accelerate physical simulations by replacing computationally expensive traditional Partial Differential Equation (PDE) solvers with fast, differentiable surrogate models.

By Guillaume Couairon, Alexis Jacq, Yu-Han Wu, Renu Singh, Yana Hasson, Quentin Berthet, Romuald Elie