作者
Anjana Talapatra, Shahin Boluki, Thien Duong, Xiaoning Qian, Edward Dougherty, Raymundo Arróyave
发表日期
2018/11
期刊
Physical Review Materials
卷号
2
期号
11
页码范围
113803
出版商
American Physical Society
简介
The accelerated exploration of the materials space in order to identify configurations with optimal properties is an ongoing challenge. Current paradigms are typically centered around the idea of performing this exploration through high-throughput experimentation/computation. Such approaches, however, do not account for—the always present—constraints in resources available. Recently this problem has been addressed by framing materials discovery as an optimal experiment design. This work augments earlier efforts by putting forward a framework that efficiently explores the materials design space not only accounting for resource constraints but also incorporating the notion of model uncertainty. The resulting approach combines Bayesian model averaging within Bayesian optimization in order to realize a system capable of autonomously and adaptively learning not only the most promising regions in the …
引用总数
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