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pro vyhledávání: '"Manjrekar, Mrunali"'
Autor:
Fromer, Jenna, Wang, Runzhong, Manjrekar, Mrunali, Tripp, Austin, Hernández-Lobato, José Miguel, Coley, Connor W.
Batched Bayesian optimization (BO) can accelerate molecular design by efficiently identifying top-performing compounds from a large chemical library. Existing acquisition strategies for batch design in BO aim to balance exploration and exploitation.
Externí odkaz:
http://arxiv.org/abs/2410.06333