作者
Chiho Kim, Anand Chandrasekaran, Anurag Jha, Rampi Ramprasad
发表日期
2019/9
期刊
Mrs Communications
卷号
9
期号
3
页码范围
860-866
出版商
Cambridge University Press
简介
Machine-learning (ML) approaches have proven to be of great utility in modern materials innovation pipelines. Generally, ML models are trained on predetermined past data and then used to make predictions for new test cases. Active-learning, however, is a paradigm in which ML models can direct the learning process itself through providing dynamic suggestions/queries for the “next-best experiment.” In this work, the authors demonstrate how an active-learning framework can aid in the discovery of polymers possessing high glass transition temperatures (Tg). Starting from an initial small dataset of polymer Tg measurements, the authors use Gaussian process regression in conjunction with an active-learning framework to iteratively add Tg measurements of candidate polymers to the training dataset. The active-learning framework employs one of three decision making strategies (exploitation, exploration, or …
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