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cs.AI2026
ARIA: A Causal-Aware Framework for Rescuing LLM Reasoning in Trustworthy Materials Discovery
Yi Cao, Liaoyaqi Wang, Jieneng Chen +3
Generative models have revolutionized the process of materials discovery, yet they often fail to satisfy underlying physical causality. Through an analysis of Large Language Models…
cs.CL2026
Can Coding Agents Reproduce Findings in Computational Materials Science?
Ziyang Huang, Yi Cao, Ali K. Shargh +15
Large language models are increasingly deployed as autonomous coding agents and have achieved remarkably strong performance on software engineering benchmarks. However, it is uncle…