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 behavior, 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.
翻译:Bayesian优化是实验设计的一个有用工具。 不幸的是,Bayesian优化的古典、顺序设置没有被转化成实验室实验,例如电池设计,其中测量可能来自不同来源,其评估可能需要大量等待时间。多纤维巴耶斯优化利用不同来源的测量来解决设置问题。Asyncronic bayesian优化提供了一个框架,以便在披露先前实验结果之前选择新的实验。本文提出了一种将多纤维性和不同步的批量方法相结合的算法。我们从经验上研究算法行为,并展示它能够超越单纤维分批法和多纤维顺序方法。作为一种应用,我们考虑设计电子化材料,以便利用硬体细胞实验来接近电池性能,在邮袋细胞中实现最佳性能。