a.Department of Polymer Materials and Engineering, College of Materials and Metallurgy, Guizhou University, Guiyang 550025, China
b.School of Chemistry, Beihang University, Beijing 100191, China
c.Shanghai Key Laboratory of Advanced Polymeric Materials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, China
d.The State Key Laboratory of Molecular Engineering of Polymers, Department of Macromolecular Science, Fudan University, Shanghai 200433, China
Author bio:
liyq@gzu.edu.cn (Y.Q.L.)
yjiang@buaa.edu.cn (Y.J)
lq_wang@ecust.edu.cn (L.Q.W.)
lijf@fudan.edu.cn (J.F.L.)
Funds:
Y. Q. L. thanks to the financial support from the National Natural Science Foundation of China (NSFC) (Nos. 51988102 and 22173094) and CAS Key Research Program of Frontier Sciences (No. QYZDY-SSW-SLH027); Y. J. thanks to support from NSFC (No. 22073004) and the Fundamental Research Funds for the Central Universities; L. Q. W. thanks to the financial support from NSFC (No. 22173030) and Shanghai Scientific and Technological Innovation Projects (No. 22ZR1417500); and J. F. L. thanks to the financial support from NSFC (No. 21973018). Y. Q. L. also thanks Professor Li-Jia An for his support and encouragement through all his academic career. L. Q. W. also appreciates the support from Professors Jiaping Lin and Lei Du.
Li, Y. Q.; Jiang, Y.; Wang, L. Q.; Li, J. F. Data and machine learning in polymer science. Chinese J. Polym. Sci. 2023, 41, 1371–1376
Yun-Qi Li, Ying Jiang, Li-Quan Wang, et al. Data and Machine Learning in Polymer Science[J]. Chinese Journal of Polymer Science, 2023, 41(9): 1371-1376.
Li, Y. Q.; Jiang, Y.; Wang, L. Q.; Li, J. F. Data and machine learning in polymer science. Chinese J. Polym. Sci. 2023, 41, 1371–1376DOI: 10.1007/s10118-022-2868-0.
Yun-Qi Li, Ying Jiang, Li-Quan Wang, et al. Data and Machine Learning in Polymer Science[J]. Chinese Journal of Polymer Science, 2023, 41(9): 1371-1376.DOI: 10.1007/s10118-022-2868-0.
Data is the cornerstone and machine learning supports a new paradigm
their combination is promoting leading-edge innovations in polymer materials. It provides a unique way to interpretate
predict and infer various targests in polymer research.
Abstract
Data-driven innovation has shown great power in solving problems in multifactor correlation
convergence and optimization
synergistic and antagonistic effects
pattern and boundary identification
critical behavior and phase transition
which are ubiquitous in polymer science. Either for the in-depth understanding of physical problems or in the discovery of new polymer materials
integrating data and machine learning into conventional experimental
theoritical
modeling and simulation approaches becomes blooming. Here we present a perspective based on our research interests
highlight some key issues and provide a prospection in this emerging direction. We focus on a number of typical advances in the description and identification of polymer conformation and structures
and the interpretation and prediction of structure-property correlations
that have applied data and machine learning in polymer science.
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相关作者
Xin-Yao Xu
Xiao Hu
Li-Quan Wang
Ying Jiang
Ting-Li Liu
Lun-Yang Liu
Fang Ding
Yun-Qi Li
相关机构
School of Chemistry and Chemical Engineering, Shaoxing University
Shanghai Key Laboratory of Advanced Polymeric Materials, Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology
Zhejiang Key Laboratory of Functional Ionic Membrane Materials and Technology for Hydrogen Production
State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences
School of Applied Chemistry and Engineering, University of Science and Technology of China