arXiv Machine Learning

GAV: A scientific experimentation environment for PDE agents

The paper introduces GAV, a scientific experimentation environment that generates verifiable PDE problems by learning a distribution of reference solutions and using the method of manufactured solutions to construct matching PDEs. GAV includes a Generator, Agent, and Verifier that together enable iterative program improvement and provide numerical feedback on accuracy and computational cost. Experiments on Navier–Stokes and Vlasov–Poisson equations show that GAV can significantly reduce test errors for existing PDE agents.

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 AI
5d ago

From 1D Benchmarks to Complex 3D Geometries: Can Agents Reliably Specify Problems for Automated PDE Simulation?

The paper investigates whether AI agents can reliably generate complete, executable JSON specifications for automated PDE simulation, covering geometry creation, meshing, solving, and result export. Using a workflow that combines model extraction, deterministic scientific checks, clarification, and validated local patches, the authors evaluate specification correctness, execution completion, and numerical verification across 120 template-related requests. The approach achieves 98.3% correct first-turn specifications, outperforms schema-assisted and model-only baselines, and demonstrates successful automated execution in 30 complex 3D cases and 75% success in live user-to-results tests.

By Akshat Jani, Sakhinana Sagar Srinivas, Venkataramana Runkana
arXiv AI
Oct 28

Re4: Scientific Computing Agent with Rewriting, Resolution, Review and Revision

The paper introduces Re4, a scientific computing agent that employs a four-step logical chain—rewriting, resolution, review, and revision—using three large language models: a Consultant, a Programmer, and a Reviewer. The Consultant rewrites problem descriptions by linking them to domain knowledge, the Programmer generates and runs code, and the Reviewer iteratively refines the code through self-debugging. Experiments on PDEs, fluid dynamics, ill‑conditioned linear systems, and data‑driven physics show that this collaborative framework markedly improves bug‑free code generation and execution success rates across several LLMs.

By Ao Cheng, Lei Zhang, Guowei He
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
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