Bayesian Optimization for General Reaction Conditions
通用反应条件的贝叶斯优化
机构 * Institute of Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich(苏黎世联邦理工学院化学与生物工程学院,化学与应用生物科学系) ; NCCR Catalysis, Switzerland(瑞士催化联合体) ; Department of Chemistry, University of Toronto(多伦多大学化学系) ; Vector Institute, Toronto, Canada(多伦多向量研究所) ; Department of Biological Chemistry & Molecular Pharmacology, Harvard Medical School(哈佛医学院生物化学与分子药理学系) ; Dana-Farber Cancer Institute, Boston, MA, USA(波士顿马萨诸塞州 Dana-Farber 癌症研究所) ; School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University(南洋理工大学化学系、化工与生物技术学院) ; Department of Computer Science, University of Toronto(多伦多大学计算机科学系) ; Department of Chemical Engineering and Applied Chemistry, University of Toronto(多伦多大学化学工程与应用化学系) ; Department of Materials Science and Engineering, University of Toronto(多伦多大学材料科学与工程系) ; Acceleration Consortium, University of Toronto(多伦多大学加速联盟) ; Canadian Institute for Advanced Research (CIFAR)(加拿大高级研究研究院) ; Institute of Medical Science, Medical Sciences Building, Toronto, Canada(多伦多大学医学科学研究院,医学科学大楼) ; NVIDIA, Toronto, Canada(多伦多NVIDIA) ; Department of Computer Science, Western University(温哥华大学计算机科学系)
AI总结 提出CurryBO框架,通过curried函数的贝叶斯优化实现通用反应条件的高效搜索,在多个基准上显著提升样本效率。