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cs.LG2026
Your Simulation Runs but Solves the Wrong Physics: PDE-Grounded Intent Verification for LLM-Generated Multiphysics Simulation Code
Zhenghan Song, Yulong Liu, Cheng Wan +4
Execution-based evaluation of LLM-generated code implicitly treats successful execution as a proxy for correctness. In scientific simulation, this proxy is insufficient: a generate…
cs.LG2025
Scaling Laws of Graph Neural Networks for Atomistic Materials Modeling
Chaojian Li, Zhifan Ye, Massimiliano Lupo Pasini +4
Atomistic materials modeling is a critical task with wide-ranging applications, from drug discovery to materials science, where accurate predictions of the target material property…