AIBullisharXiv – CS AI · 10h ago7/10
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LLM-Guided Test-Time Discovery of Quantum-Chemical Approximation Algorithms
Researchers introduce LADeQ, an LLM-guided system that autonomously discovers and implements quantum chemistry approximation algorithms at test-time without pretraining. The approach accelerates coupled cluster and configuration interaction calculations while maintaining user-specified accuracy tolerances, demonstrating how language models can innovate within scientific computing workflows.