Data as the next challenge in atomistic machine learning

IF 12 Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS
Chiheb Ben Mahmoud, John L. A. Gardner, Volker L. Deringer
{"title":"Data as the next challenge in atomistic machine learning","authors":"Chiheb Ben Mahmoud, John L. A. Gardner, Volker L. Deringer","doi":"10.1038/s43588-024-00636-1","DOIUrl":null,"url":null,"abstract":"As machine learning models are becoming mainstream tools for molecular and materials research, there is an urgent need to improve the nature, quality, and accessibility of atomistic data. In turn, there are opportunities for a new generation of generally applicable datasets and distillable models.","PeriodicalId":74246,"journal":{"name":"Nature computational science","volume":"4 6","pages":"384-387"},"PeriodicalIF":12.0000,"publicationDate":"2024-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nature computational science","FirstCategoryId":"1085","ListUrlMain":"https://www.nature.com/articles/s43588-024-00636-1","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
引用次数: 0

Abstract

As machine learning models are becoming mainstream tools for molecular and materials research, there is an urgent need to improve the nature, quality, and accessibility of atomistic data. In turn, there are opportunities for a new generation of generally applicable datasets and distillable models.

Abstract Image

数据是原子机器学习的下一个挑战。
随着机器学习模型逐渐成为分子和材料研究的主流工具,迫切需要改进原子数据的性质、质量和可获取性。反过来,新一代普遍适用的数据集和可提炼模型也有了机会。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
CiteScore
11.70
自引率
0.00%
发文量
0
×
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