材料信息学
计算机科学
领域(数学)
领域(数学分析)
领域知识
数据科学
人工智能
机器学习
信息学
钥匙(锁)
工程信息学
工程类
健康信息学
数学分析
数学
医学
护理部
计算机安全
纯数学
电气工程
公共卫生
作者
Bangtan Zong,Jinshan Li,Tinghuan Yuan,Jun Wang,Ruihao Yuan
标识
DOI:10.1016/j.jmat.2024.07.002
摘要
One key challenge in materials informatics is how to effectively use the material data of small size to search for desired materials from a huge unexplored material space. We review the recent progress on the use of tools from data science and domain knowledge to mitigate the issues arising from limited materials data. The enhancement of data quality and amount via data augmentation and feature engineering is first summarized and discussed. Then the strategies that use ensemble model and transfer learning for improved machine learning model are overviewed. Next, we move to the active learning with emphasis on the uncertainty quantification and evaluation. Subsequently, the merits of the combination of domain knowledge and machine learning are stressed. Finally, we discuss some applications of large language models in the field of materials science. We summarize this review by posing the challenges and opportunities in the field of machine learning for small material data.
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