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

被引:13
|
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
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 for Electrocatalyst and Photocatalyst Design and Discovery
    Mai, Haoxin
    Le, Tu C.
    Chen, Dehong
    Winkler, David A.
    Caruso, Rachel A.
    CHEMICAL REVIEWS, 2022, 122 (16) : 13478 - 13515
  • [42] Machine Learning Boosts the Design and Discovery of Nanomaterials
    Jia, Yuying
    Hou, Xuan
    Wang, Zhongwei
    Hu, Xiangang
    ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2021, 9 (18) : 6130 - 6147
  • [43] Machine learning for heterogeneous catalyst design and discovery
    Goldsmith, Bryan R.
    Esterhuizen, Jacques
    Liu, Jin-Xun
    Bartel, Christopher J.
    Sutton, Christopher
    AICHE JOURNAL, 2018, 64 (07) : 2311 - 2323
  • [44] A Review:Applications of Machine Learning in Design-Fabrication of Functionally Graded Materials
    Wang S.
    Yang J.
    Ma S.
    Han S.
    Wang L.
    Duan G.
    Cailiao Daobao/Materials Reports, 2023, 37 (21):
  • [45] Applications of machine learning method in high-performance materials design: a review
    Yuan, Junhao
    Li, Zhen
    Yang, Yujia
    Yin, Anyi
    Li, Wenjie
    Sun, Dan
    Wang, Qing
    JOURNAL OF MATERIALS INFORMATICS, 2024, 4 (03):
  • [46] Silhouette Analysis for Performance Evaluation in Machine Learning with Applications to Clustering
    Shutaywi, Meshal
    Kachouie, Nezamoddin N.
    ENTROPY, 2021, 23 (06)
  • [47] Electronic Learning Materials for Machine Design
    Hynek, Martin
    Grach, Miroslav
    Votapek, Petr
    INTERNATIONAL JOURNAL OF ENGINEERING EDUCATION, 2014, 30 (06) : 1549 - 1555
  • [48] Inverse Design of Materials by Machine Learning
    Wang, Jia
    Wang, Yingxue
    Chen, Yanan
    MATERIALS, 2022, 15 (05)
  • [49] Toward Interpretable Machine Learning Models for Materials Discovery
    Mikulskis, Paulius
    Alexander, Morgan R.
    Winkler, David Alan
    ADVANCED INTELLIGENT SYSTEMS, 2019, 1 (08)
  • [50] Machine Learning and Optoelectronic Materials Discovery: A Growing Synergy
    Mayr, Felix
    Harth, Milan
    Kouroudis, Ioannis
    Rinderle, Michael
    Gagliardi, Alessio
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2022, 13 (08): : 1940 - 1951