• Journal of the Chinese Ceramic Society
  • Vol. 51, Issue 2, 544 (2023)
WANG Yunfan1,*, TIAN Yuan2, ZHOU Yumei1, and XUE Dezhen1
Author Affiliations
  • 1[in Chinese]
  • 2[in Chinese]
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    DOI: 10.14062/j.issn.0454-5648.20220924 Cite this Article
    WANG Yunfan, TIAN Yuan, ZHOU Yumei, XUE Dezhen. Progress on Active Learning Assisted Materials Discovery[J]. Journal of the Chinese Ceramic Society, 2023, 51(2): 544 Copy Citation Text show less

    Abstract

    Materials discovery faces a huge and complex high-dimensional search space, from which the fast and effective selection of new materials with target properties is a major challenge in materials development. Machine learning can predict the performance of unexplored materials via establishing the relationship between features and target performance through algorithms based on the existing data. However, there are a relatively few known data for materials, and the machine learning models have a relatively low prediction accuracy, thus making it difficult to achieve an effective guidance for experiments or calculations. To address this problem, active learning was introduced for assistance, and the experimental design step was added to the traditional iterative feedback to select the experiments for target enhancement to supplement and to achieve the optimization of material performance. This review mainly represented recent progress on active learning-assisted materials development from three aspects, i.e., single-objective optimization, multi-objective optimization, and curve optimization.
    WANG Yunfan, TIAN Yuan, ZHOU Yumei, XUE Dezhen. Progress on Active Learning Assisted Materials Discovery[J]. Journal of the Chinese Ceramic Society, 2023, 51(2): 544
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