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physics.chem-ph2025★ 2 cited
Foundation Models for Discovery and Exploration in Chemical Space
Alexius Wadell, Anoushka Bhutani, Victor Azumah +26
Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches…
cs.LG2025
A Theory of Inference Compute Scaling: Reasoning through Directed Stochastic Skill Search
Austin R. Ellis-Mohr, Anuj K. Nayak, Lav R. Varshney
Large language models (LLMs) demand considerable computational, energy, and financial resources during both training and deployment. While scaling laws for training have guided muc…