Data and Machine Learning in Polymer Science

IF 4.1 2区 化学 Q2 POLYMER SCIENCE
Yun-Qi Li, Ying Jiang, Li-Quan Wang, Jian-Feng Li
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引用次数: 0

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.

高分子科学中的数据和机器学习
数据驱动创新在解决聚合物科学中普遍存在的多因素关联、收敛与优化、协同与拮抗效应、模式与边界识别、临界行为与相变等问题方面显示出巨大的力量。无论是为了深入理解物理问题,还是为了发现新的高分子材料,将数据和机器学习整合到传统的实验、理论、建模和仿真方法中,都是一种蓬勃发展的趋势。在此,我们基于我们的研究兴趣提出了一个观点,强调了一些关键问题,并对这一新兴方向进行了展望。我们专注于聚合物构象和结构的描述和识别,以及结构-性质相关性的解释和预测方面的一些典型进展,这些进展已在聚合物科学中应用了数据和机器学习。
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来源期刊
Chinese Journal of Polymer Science
Chinese Journal of Polymer Science 化学-高分子科学
CiteScore
7.10
自引率
11.60%
发文量
218
审稿时长
6.0 months
期刊介绍: Chinese Journal of Polymer Science (CJPS) is a monthly journal published in English and sponsored by the Chinese Chemical Society and the Institute of Chemistry, Chinese Academy of Sciences. CJPS is edited by a distinguished Editorial Board headed by Professor Qi-Feng Zhou and supported by an International Advisory Board in which many famous active polymer scientists all over the world are included. The journal was first published in 1983 under the title Polymer Communications and has the current name since 1985. CJPS is a peer-reviewed journal dedicated to the timely publication of original research ideas and results in the field of polymer science. The issues may carry regular papers, rapid communications and notes as well as feature articles. As a leading polymer journal in China published in English, CJPS reflects the new achievements obtained in various laboratories of China, CJPS also includes papers submitted by scientists of different countries and regions outside of China, reflecting the international nature of the journal.
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