Surrogate-Based Black-Box Optimization Method for Costly Molecular Properties

Jules Leguy, Béatrice Duval, Benoit Da Mota, Thomas Cauchy. Surrogate-Based Black-Box Optimization Method for Costly Molecular Properties. In 33rd IEEE International Conference on Tools with Artificial Intelligence, ICTAI 2021, Washington, DC, USA, November 1-3, 2021. pages 780-785, IEEE, 2021. [doi]

Authors

Jules Leguy

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Béatrice Duval

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Benoit Da Mota

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Thomas Cauchy

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