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Generative Multi-Objective Bayesian Optimization with Scalable Batch Evaluations for Sample-Efficient De Novo Molecular Design

Fuente: arXiv

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Bibliographic Details
Main Authors:	Muthyala, Madhav R., Sorourifar, Farshud, Tan, Tianhong, Peng, You, Paulson, Joel A.
Format:	Preprint
Published:	2025
Subjects:	Machine Learning Materials Science
Online Access:	Acceder al recurso
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