数据稀缺条件下材料科学中 "快速学习 "方法的开发与应用

IF 10.7 2区 材料科学 Q1 CHEMISTRY, PHYSICAL
Yongxing Chen, Peng Long, Bin Liu, Yi Wang, Junlong Wang, Tian Ma, Huilin Wei, Yue Kang and Haining Ji
{"title":"数据稀缺条件下材料科学中 \"快速学习 \"方法的开发与应用","authors":"Yongxing Chen, Peng Long, Bin Liu, Yi Wang, Junlong Wang, Tian Ma, Huilin Wei, Yue Kang and Haining Ji","doi":"10.1039/D4TA06452F","DOIUrl":null,"url":null,"abstract":"<p >Machine learning, as a significant branch of artificial intelligence, has provided effective guidance for material design by establishing virtual mappings between data and desired features, thereby reducing the cycle of material discovery and synthesis. However, the application of machine learning in materials science is hindered by data scarcity. Few-shot learning methods, an effective approach for improving the performance of machine learning models under data scarcity, have achieved significant development in the field of materials science. In this review, the recent advancements in few-shot learning methods in materials science are discussed, and the application workflow of machine learning algorithms is elucidated. Methods for dataset expansion are discussed from the perspective of data acquisition, including databases, natural language processing, and high-throughput experiments, while collating commonly used materials science databases in the process. The application of algorithms, such as transfer learning and data augmentation in materials science, was analyzed in few-shot environments in materials science. Finally, the challenges faced by the application of machine learning in materials science are summarized, and the related future prospects are outlined.</p>","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":" 44","pages":" 30249-30268"},"PeriodicalIF":10.7000,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Development and application of Few-shot learning methods in materials science under data scarcity\",\"authors\":\"Yongxing Chen, Peng Long, Bin Liu, Yi Wang, Junlong Wang, Tian Ma, Huilin Wei, Yue Kang and Haining Ji\",\"doi\":\"10.1039/D4TA06452F\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Machine learning, as a significant branch of artificial intelligence, has provided effective guidance for material design by establishing virtual mappings between data and desired features, thereby reducing the cycle of material discovery and synthesis. However, the application of machine learning in materials science is hindered by data scarcity. Few-shot learning methods, an effective approach for improving the performance of machine learning models under data scarcity, have achieved significant development in the field of materials science. In this review, the recent advancements in few-shot learning methods in materials science are discussed, and the application workflow of machine learning algorithms is elucidated. Methods for dataset expansion are discussed from the perspective of data acquisition, including databases, natural language processing, and high-throughput experiments, while collating commonly used materials science databases in the process. The application of algorithms, such as transfer learning and data augmentation in materials science, was analyzed in few-shot environments in materials science. Finally, the challenges faced by the application of machine learning in materials science are summarized, and the related future prospects are outlined.</p>\",\"PeriodicalId\":82,\"journal\":{\"name\":\"Journal of Materials Chemistry A\",\"volume\":\" 44\",\"pages\":\" 30249-30268\"},\"PeriodicalIF\":10.7000,\"publicationDate\":\"2024-10-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Materials Chemistry A\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://pubs.rsc.org/en/content/articlelanding/2024/ta/d4ta06452f\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Materials Chemistry A","FirstCategoryId":"88","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2024/ta/d4ta06452f","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

摘要

机器学习作为人工智能的一个重要分支,通过在数据和所需特征之间建立虚拟映射,为材料设计提供了有效指导,从而缩短了材料发现和合成的周期。然而,数据稀缺阻碍了机器学习在材料科学领域的应用。少量学习方法是在数据稀缺的情况下提高机器学习模型性能的有效方法,在材料科学领域取得了长足的发展。在这篇综述中,我们讨论了少量学习方法在材料科学领域的最新进展,并阐明了机器学习算法的应用工作流程。从数据获取的角度讨论了数据集扩展方法,包括数据库、自然语言处理和高通量实验,同时在此过程中整理了常用的材料科学数据库。分析了材料科学中的迁移学习和数据扩增等算法在材料科学少数几种环境中的应用。最后,总结了机器学习在材料科学中的应用所面临的挑战,并概述了相关的未来前景。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Development and application of Few-shot learning methods in materials science under data scarcity

Development and application of Few-shot learning methods in materials science under data scarcity

Development and application of Few-shot learning methods in materials science under data scarcity

Machine learning, as a significant branch of artificial intelligence, has provided effective guidance for material design by establishing virtual mappings between data and desired features, thereby reducing the cycle of material discovery and synthesis. However, the application of machine learning in materials science is hindered by data scarcity. Few-shot learning methods, an effective approach for improving the performance of machine learning models under data scarcity, have achieved significant development in the field of materials science. In this review, the recent advancements in few-shot learning methods in materials science are discussed, and the application workflow of machine learning algorithms is elucidated. Methods for dataset expansion are discussed from the perspective of data acquisition, including databases, natural language processing, and high-throughput experiments, while collating commonly used materials science databases in the process. The application of algorithms, such as transfer learning and data augmentation in materials science, was analyzed in few-shot environments in materials science. Finally, the challenges faced by the application of machine learning in materials science are summarized, and the related future prospects are outlined.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Journal of Materials Chemistry A
Journal of Materials Chemistry A CHEMISTRY, PHYSICAL-ENERGY & FUELS
CiteScore
19.50
自引率
5.00%
发文量
1892
审稿时长
1.5 months
期刊介绍: The Journal of Materials Chemistry A, B & C covers a wide range of high-quality studies in the field of materials chemistry, with each section focusing on specific applications of the materials studied. Journal of Materials Chemistry A emphasizes applications in energy and sustainability, including topics such as artificial photosynthesis, batteries, and fuel cells. Journal of Materials Chemistry B focuses on applications in biology and medicine, while Journal of Materials Chemistry C covers applications in optical, magnetic, and electronic devices. Example topic areas within the scope of Journal of Materials Chemistry A include catalysis, green/sustainable materials, sensors, and water treatment, among others.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信