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
[51]   A conceptual study of transfer learning with linear models for data-driven property prediction [J].
Li, Bowen ;
Rangarajan, Srinivas .
COMPUTERS & CHEMICAL ENGINEERING, 2022, 157
[52]  
Li LS, 2018, J MACH LEARN RES, V18
[53]  
Li S, 2021, Adv Neural Inf Process Syst, V34
[54]   Transfer learning for process fault diagnosis: Knowledge transfer from simulation to physical processes [J].
Li, Weijun ;
Gu, Sai ;
Zhang, Xiangping ;
Chen, Tao .
COMPUTERS & CHEMICAL ENGINEERING, 2020, 139 (139)
[55]   Strategy of Enhancing the Volumetric Energy Density for Lithium-Sulfur Batteries [J].
Liu, Ya-Tao ;
Liu, Sheng ;
Li, Guo-Ran ;
Gao, Xue-Ping .
ADVANCED MATERIALS, 2021, 33 (08)
[56]   A PRACTICAL BAYESIAN FRAMEWORK FOR BACKPROPAGATION NETWORKS [J].
MACKAY, DJC .
NEURAL COMPUTATION, 1992, 4 (03) :448-472
[57]  
Moss HB, 2021, J MACH LEARN RES, V22
[58]  
Neal R.M., 1996, BAYESIAN LEARNING NE
[59]   Bayesian Multiobjective Optimisation With Mixed Analytical and Black-Box Functions: Application to Tissue Engineering [J].
Olofsson, Simon ;
Mehrian, Mohammad ;
Calandra, Roberto ;
Geris, Liesbet ;
Deisenroth, Marc Peter ;
Misener, Ruth .
IEEE TRANSACTIONS ON BIOMEDICAL ENGINEERING, 2019, 66 (03) :727-739
[60]   A Survey on Transfer Learning [J].
Pan, Sinno Jialin ;
Yang, Qiang .
IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING, 2010, 22 (10) :1345-1359