大数据有多大?

IF 3.3 3区 化学 Q2 CHEMISTRY, PHYSICAL Faraday Discussions Pub Date : 2024-07-11 DOI:10.1039/d4fd00102h
Daniel Speckhard, Tim Bechtel, Luca M. Ghiringhelli, Martin Kuban, Santiago Rigamonti, Claudia Draxl
{"title":"大数据有多大?","authors":"Daniel Speckhard, Tim Bechtel, Luca M. Ghiringhelli, Martin Kuban, Santiago Rigamonti, Claudia Draxl","doi":"10.1039/d4fd00102h","DOIUrl":null,"url":null,"abstract":"Big data has ushered in a new wave of predictive power using machine learning models. In this work, we assess what {\\it big} means in the context of typical materials-science machine-learning problems. This concerns not only data volume, but also data quality and veracity as much as infrastructure issues. With selected examples, we ask (i) how models generalize to similar datasets, (ii) how high-quality datasets can be gathered from heterogenous sources, (iii) how the feature set and complexity of a model can affect expressivity, and (iv) what infrastructure requirements are needed to create larger datasets and train models on them. In sum, we find that big data present unique challenges along very different aspects that should serve to motivate further work.","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":null,"pages":null},"PeriodicalIF":3.3000,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"How big is Big Data?\",\"authors\":\"Daniel Speckhard, Tim Bechtel, Luca M. Ghiringhelli, Martin Kuban, Santiago Rigamonti, Claudia Draxl\",\"doi\":\"10.1039/d4fd00102h\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Big data has ushered in a new wave of predictive power using machine learning models. In this work, we assess what {\\\\it big} means in the context of typical materials-science machine-learning problems. This concerns not only data volume, but also data quality and veracity as much as infrastructure issues. With selected examples, we ask (i) how models generalize to similar datasets, (ii) how high-quality datasets can be gathered from heterogenous sources, (iii) how the feature set and complexity of a model can affect expressivity, and (iv) what infrastructure requirements are needed to create larger datasets and train models on them. In sum, we find that big data present unique challenges along very different aspects that should serve to motivate further work.\",\"PeriodicalId\":76,\"journal\":{\"name\":\"Faraday Discussions\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.3000,\"publicationDate\":\"2024-07-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Faraday Discussions\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1039/d4fd00102h\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Faraday Discussions","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d4fd00102h","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

摘要

大数据带来了使用机器学习模型进行预测的新浪潮。在这项工作中,我们将评估{it big}在典型材料科学机器学习问题中的含义。这不仅涉及数据量,还涉及数据质量和真实性以及基础设施问题。通过选定的例子,我们提出了以下问题:(i) 模型如何泛化到类似的数据集;(ii) 如何从不同来源收集高质量的数据集;(iii) 模型的特征集和复杂性如何影响表达能力;(iv) 创建更大的数据集并在其上训练模型需要哪些基础设施要求。总之,我们发现大数据在不同方面提出了独特的挑战,这些挑战应有助于推动进一步的工作。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
How big is Big Data?
Big data has ushered in a new wave of predictive power using machine learning models. In this work, we assess what {\it big} means in the context of typical materials-science machine-learning problems. This concerns not only data volume, but also data quality and veracity as much as infrastructure issues. With selected examples, we ask (i) how models generalize to similar datasets, (ii) how high-quality datasets can be gathered from heterogenous sources, (iii) how the feature set and complexity of a model can affect expressivity, and (iv) what infrastructure requirements are needed to create larger datasets and train models on them. In sum, we find that big data present unique challenges along very different aspects that should serve to motivate further work.
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
Faraday Discussions
Faraday Discussions 化学-物理化学
自引率
0.00%
发文量
259
期刊介绍: Discussion summary and research papers from discussion meetings that focus on rapidly developing areas of physical chemistry and its interfaces
期刊最新文献
Multi-reference coupled cluster theory using the normal ordered exponential ansatz. Analysis of uncertainty of neural fingerprint-based models. Metastable layered lithium-rich niobium and tantalum oxides via nearly instantaneous cation exchange. Preface. How to do impactful research in artificial intelligence for chemistry and materials science.
×
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
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1