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Efficient Discovery of Visible Light-Activated Azoarene Photoswitches with Long Half-Lives Using Active Search.

, , , , , , , , and . J. Chem. Inf. Model., 61 (11): 5524-5534 (2021)

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BASC: Applying Bayesian Optimization to the Search for Global Minima on Potential Energy Surfaces., , and . ICML, volume 48 of JMLR Workshop and Conference Proceedings, page 898-907. JMLR.org, (2016)Automated Measurement of Quasar Redshift with a Gaussian Process, , , , , and . (2020)cite arxiv:2006.07343Comment: 13 pages, 11 figures, to be submitted to MNRAS.Active Learning of Model Evidence Using Bayesian Quadrature., , , , , and . NIPS, page 46-54. (2012)Bayesian Active Model Selection with an Application to Automated Audiometry., , , , , and . NIPS, page 2386-2394. (2015)Nonmyopic Multifidelity Acitve Search., , and . ICML, volume 139 of Proceedings of Machine Learning Research, page 8109-8118. PMLR, (2021)Scarce Societal Resource Allocation and the Price of (Local) Justice., , and . AAAI, page 5628-5636. AAAI Press, (2021)A Greedy Approximation for k-Determinantal Point Processes., , , and . AISTATS, volume 238 of Proceedings of Machine Learning Research, page 3052-3060. PMLR, (2024)Automated Model Selection with Bayesian Quadrature., , , and . ICML, volume 97 of Proceedings of Machine Learning Research, page 931-940. PMLR, (2019)Active Area Search via Bayesian Quadrature., , and . AISTATS, volume 33 of JMLR Workshop and Conference Proceedings, page 595-603. JMLR.org, (2014)Differentially Private Bayesian Optimization., , , and . ICML, volume 37 of JMLR Workshop and Conference Proceedings, page 918-927. JMLR.org, (2015)