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材料导报  2022, Vol. 36 Issue (1): 20080139-7    https://doi.org/10.11896/cldb.20080139
  金属与金属基复合材料 |
机器学习及其在材料研发中的作用
宋庆功1,2, 常斌斌1, 董珊珊3, 顾威风1, 康建海1, 王明超1, 刘志锋1
1 中国民航大学理学院低维材料与技术研究所,天津 300300
2 安阳学院航空工程学院,河南 安阳 455000
3 中国民航大学中欧航空工程师学院,天津 300300
Machine Learning and Its Influence on Materials Research and Development
SONG Qinggong1,2, CHANG Binbin1, DONG Shanshan3, GU Weifeng1, KANG Jianhai1, WANG Mingchao1, LIU Zhifeng1
1 Institute of Low Dimensional Materials and Technology, College of Science, Civil Aviation University of China, Tianjin 300300, China
2 College of Aviation Engineering, Anyang University, Anyang 455000, Henan, China
3 Sino-European Institute of Aviation Engineering, Civil Aviation University of China, Tianjin 300300, China
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摘要 文献统计表明,大数据背景下机器学习方法在材料领域迅猛发展、地位凸显。本文简介了机器学习的诞生与发展,大数据背景下机器学习的作用、意义及可解释性;综述了机器学习在材料领域的应用进展。一方面,机器学习为材料结构和性能预测提供了新方法和技术;另一方面,它通过与传统方法的结合、融合,使之改进或升级。机器学习的应用能为材料研究提供重要依据,提高了材料研发的效率,节约了时间和资源,提升了成果质量,加快了发现、研制新材料的进程。人们尚需进一步开发新的机器学习方法,以进一步增强预测的可解释性和准确性,避免过拟合情况的发生。
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宋庆功
常斌斌
董珊珊
顾威风
康建海
王明超
刘志锋
关键词:  机器学习  材料研究  模拟方法  结构与性能预测    
Abstract: Literature statistics show that machine learning methods are developing rapidly in the field of materials under the background of big data because of its prominent role. This paper briefly introduces the birth and development and expounds the influence, significance and interpre-tability of machine learning. The application of machine learning in the field of materials is reviewed. On the one hand, machine learning provides new methods and techniques for material structure and performance prediction, on the other hand, it can improve or upgrade traditional research methods by combining or integrating with them. The application of machine learning can provide important basis for materials research, improve the efficiency of materials research and development, save time and resources, enhance the quality of results, and accelerate the process of discovering and developing new materials. It is necessary to develop new machine learning methods in order to promote the interpretability and accuracy of prediction and avoid the appearance of overfitting.
Key words:  machine learning    material research    simulation method    prediction of structure and performance
出版日期:  2022-01-13      发布日期:  2022-01-13
ZTFLH:  TB1  
  N3  
基金资助: 国家自然科学基金(51802343)
通讯作者:  qgsong579@163.com   
作者简介:  宋庆功,中国民航大学、安阳学院教授。2008年3月毕业于天津大学,获得材料物理与化学博士学位。2001年至今在中国民航大学工作,任教授,材料科学与工程、航空工程硕导;主要从事新型材料设计与计算、结构与性质预报,高性能低维材料制备,材料信息学和材料智能化研究;主持和参与完成国家自然科学基金项目等多项项目,发表论文100余篇,多数被SCI/EI收录。
引用本文:    
宋庆功, 常斌斌, 董珊珊, 顾威风, 康建海, 王明超, 刘志锋. 机器学习及其在材料研发中的作用[J]. 材料导报, 2022, 36(1): 20080139-7.
SONG Qinggong, CHANG Binbin, DONG Shanshan, GU Weifeng, KANG Jianhai, WANG Mingchao, LIU Zhifeng. Machine Learning and Its Influence on Materials Research and Development. Materials Reports, 2022, 36(1): 20080139-7.
链接本文:  
http://www.mater-rep.com/CN/10.11896/cldb.20080139  或          http://www.mater-rep.com/CN/Y2022/V36/I1/20080139
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