Benchmarking the acceleration of materials discovery by sequential learning.

ABSTRACT: Sequential learning (SL) strategies, i.e. iteratively updating a machine learning model to guide experiments, have been proposed to significantly accelerate materials discovery and research. Applications on computational datasets and a handful of optimization experiments have demonstrated the promise of SL, motivating a quantitative evaluation of its ability to accelerate materials discovery, specifically in the case of physical experiments. The benchmarking effort in the present work quantifies the performance of SL algorithms with respect to a breadth of research goals: discovery of any "good" material, discovery of all "good" materials, and discovery of a model that accurately predicts the performance of new materials. To benchmark the effectiveness of different machine learning

SUBMITTER: Rohr B 

PROVIDER: S-EPMC8157525 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature