arXiv AI

AutoPDE: Reliable Agentic PDE Solving via Explicitly Represented Solver Strategies

arXiv:2606. 10752v1 Announce Type: new Abstract: Numerical solvers for partial differential equations (PDEs) are core computational tools in science and engineering.

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
Jun 6

AutoDFT: A Closed-Loop Multi-Agent Framework for Autonomous DFT Calculations

arXiv:2605. 26179v2 Announce Type: replace-cross Abstract: Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting algorithms when convergence stalls, revising plans when unexpected physics emerges, and inserting steps as intermediate results reshape the problem.

By Penghui Yang, Zhonghan Zhang, Yue Li, Xinrun Wang, Yanchen Deng, Yuhao Lu, Bijun Tang, Zheng Liu, Bo An