Analysis and evaluation of machine learning applications in materials design and discovery

被引:15
作者
Golmohammadi, Mahsa [1 ]
Aryanpour, Masoud [2 ]
机构
[1] Amirkabir Univ Technol, Dept Polymer & Color Engn, Tehran, Iran
[2] Sharif Univ Technol, Dept Mech Engn, Tehran, Iran
来源
MATERIALS TODAY COMMUNICATIONS | 2023年 / 35卷
关键词
Machine learning; Data mining; Materials discovery; Computational chemistry; TRANSITION-METAL DICHALCOGENIDES; ARTIFICIAL-INTELLIGENCE; ACCELERATED DISCOVERY; MECHANICAL-PROPERTIES; STRUCTURAL FEATURES; ORGANIC FRAMEWORKS; RECENT PROGRESS; SOLAR-CELLS; BIG DATA; PREDICTION;
D O I
10.1016/j.mtcomm.2023.105494
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Machine Learning (ML) appears to have become the main and foremost approach to both tackle the hurdles and exploit the opportunities of The Information Age. We present our analytical review of the past years applications of the developed ML models in Materials Science. We begin our analysis by highlighting the similarities and the basic difference between Machine Learning and Screening approaches, and focus our work on direct ML applications only. The general ML procedure to develop a successful ML model for materials is illustrated and explained. We also present charts and tables summarizing the relevant literature works into categories based on ML techniques, materials classes, and materials predicted properties. Details and reasons of the most successful applications are explored and discussed based on sample cases. The information, data, and suggested guidelines in this work would be useful to interested researchers in the field of Materials Science.
引用
收藏
页数:15
相关论文
共 50 条
  • [41] Machine Learning in Antibacterial Drug Design
    Jukic, Marko
    Bren, Urban
    FRONTIERS IN PHARMACOLOGY, 2022, 13
  • [42] Knowledge Discovery in Engineering Applications Using Machine Learning Techniques
    Kubik, Christian
    Molitor, Dirk Alexander
    Becker, Marco
    Groche, Peter
    JOURNAL OF MANUFACTURING SCIENCE AND ENGINEERING-TRANSACTIONS OF THE ASME, 2022, 144 (09):
  • [43] Machine Learning-Based Methods for Materials Inverse Design: A Review
    Liu, Yingli
    Cui, Yuting
    Zhou, Haihe
    Lei, Sheng
    Yuan, Haibin
    Shen, Tao
    Yin, Jiancheng
    CMC-COMPUTERS MATERIALS & CONTINUA, 2025, 82 (02): : 1463 - 1492
  • [44] Machine Learning in Drug Discovery: A Review
    Dara, Suresh
    Dhamercherla, Swetha
    Jadav, Surender Singh
    Babu, C. H. Madhu
    Ahsan, Mohamed Jawed
    ARTIFICIAL INTELLIGENCE REVIEW, 2022, 55 (03) : 1947 - 1999
  • [45] Knowledge Discovery: Methods from data mining and machine learning
    Shu, Xiaoling
    Ye, Yiwan
    SOCIAL SCIENCE RESEARCH, 2023, 110
  • [46] Artificial intelligence and machine learning for drug discovery, design and repurposing: methods and applications
    Zheng, Pan
    Zeng, Xiangxiang
    Wang, Xun
    Ding, Pingjian
    FRONTIERS IN PHARMACOLOGY, 2023, 14
  • [47] Machine Learning-Assisted Materials Design and Discovery of Low-Melting-Point Inorganic Oxides for Low-Temperature Cofired Ceramic Applications
    Qin, Jincheng
    Liu, Zhifu
    Ma, Mingsheng
    Li, Yongxiang
    ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2022, 10 (04) : 1554 - 1564
  • [48] Applications of machine learning in drug discovery and development
    Vamathevan, Jessica
    Clark, Dominic
    Czodrowski, Paul
    Dunham, Ian
    Ferran, Edgardo
    Lee, George
    Li, Bin
    Madabhushi, Anant
    Shah, Parantu
    Spitzer, Michaela
    Zhao, Shanrong
    NATURE REVIEWS DRUG DISCOVERY, 2019, 18 (06) : 463 - 477
  • [49] Machine Learning Based Materials Properties Prediction Platform for Fast Discovery of Advanced Materials
    Lee, Jeongcheol
    Ahn, Sunil
    Kim, Jaesung
    Lee, Sik
    Cho, Kumwon
    ADVANCED MULTIMEDIA AND UBIQUITOUS ENGINEERING, MUE/FUTURETECH 2018, 2019, 518 : 169 - 175
  • [50] Analysis of regional economic evaluation based on machine learning
    Xu, Xiaoying
    Zeng, Zhijian
    JOURNAL OF INTELLIGENT & FUZZY SYSTEMS, 2021, 40 (04) : 7543 - 7553