Combining multi-fidelity modelling and asynchronous batch Bayesian Optimization

被引:13
作者
Folch, Jose Pablo [1 ]
Lee, Robert M. [2 ]
Shafei, Behrang [2 ]
Walz, David [2 ]
Tsay, Calvin [1 ]
van der Wilk, Mark [1 ]
Misener, Ruth [1 ]
机构
[1] Imperial Coll London, London, England
[2] BASF SE, Ludwigshafen, Germany
基金
英国工程与自然科学研究理事会;
关键词
Bayesian Optimization; Machine learning; Batch optimization; Asynchronous; Multi-fidelity; GLOBAL OPTIMIZATION; DESIGN; BATTERIES; LOOP;
D O I
10.1016/j.compchemeng.2023.108194
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
Bayesian Optimization is a useful tool for experiment design. Unfortunately, the classical, sequential setting of Bayesian Optimization does not translate well into laboratory experiments, for instance battery design, where measurements may come from different sources and their evaluations may require significant waiting times. Multi-fidelity Bayesian Optimization addresses the setting with measurements from different sources. Asynchronous batch Bayesian Optimization provides a framework to select new experiments before the results of the prior experiments are revealed. This paper proposes an algorithm combining multi-fidelity and asynchronous batch methods. We empirically study the algorithm behaviour, and show it can outperform single-fidelity batch methods and multi-fidelity sequential methods. As an application, we consider designing electrode materials for optimal performance in pouch cells using experiments with coin cells to approximate battery performance.
引用
收藏
页数:16
相关论文
共 91 条
[41]  
Journel A.G., 2003, Mining Geostatistics
[42]  
Kandasamy K, 2016, Arxiv, DOI arXiv:1610.09726
[43]  
Kandasamy K, 2018, PR MACH LEARN RES, V84
[44]  
Kandasamy K, 2017, PR MACH LEARN RES, V70
[45]  
Kandasamy Kirthevasan, J ARTIF INTELL RES, V29
[46]   A trust region framework for heat exchanger network synthesis with detailed individual heat exchanger designs [J].
Kazi, Saif R. ;
Short, Michael ;
Biegler, Lorenz T. .
COMPUTERS & CHEMICAL ENGINEERING, 2021, 153
[47]  
Kazi Saif R., 2022, COMPUT AIDED CHEM EN, V49, P241
[48]   Predicting the output from a complex computer code when fast approximations are available [J].
Kennedy, MC ;
O'Hagan, A .
BIOMETRIKA, 2000, 87 (01) :1-13
[49]  
Kingma DP, 2014, ADV NEUR IN, V27
[50]   Constrained robust Bayesian optimization of expensive noisy black-box functions with guaranteed regret bounds [J].
Kudva, Akshay ;
Sorourifar, Farshud ;
Paulson, Joel A. .
AICHE JOURNAL, 2022, 68 (12)