{"title":"Application-oriented design of machine learning paradigms for battery science","authors":"Ying Wang","doi":"10.1038/s41524-025-01575-9","DOIUrl":null,"url":null,"abstract":"<p>In the development of battery science, machine learning (ML) has been widely employed to predict material properties, monitor morphological variations, learn the underlying physical rules and simplify the material-discovery processes. However, the widespread adoption of ML in battery research has encountered limitations, such as the incomplete and unfocused databases, the low model accuracy and the difficulty in realizing experimental validation. It is significant to construct the dataset containing specific-domain knowledge with suitable ML models for battery research from the application-oriented perspective. We outline five key challenges in the field and highlight potential research directions that can unlock the full potential of ML in advancing battery technologies.</p>","PeriodicalId":19342,"journal":{"name":"npj Computational Materials","volume":"75 1","pages":""},"PeriodicalIF":9.4000,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"npj Computational Materials","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1038/s41524-025-01575-9","RegionNum":1,"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
Abstract
In the development of battery science, machine learning (ML) has been widely employed to predict material properties, monitor morphological variations, learn the underlying physical rules and simplify the material-discovery processes. However, the widespread adoption of ML in battery research has encountered limitations, such as the incomplete and unfocused databases, the low model accuracy and the difficulty in realizing experimental validation. It is significant to construct the dataset containing specific-domain knowledge with suitable ML models for battery research from the application-oriented perspective. We outline five key challenges in the field and highlight potential research directions that can unlock the full potential of ML in advancing battery technologies.
期刊介绍：
npj Computational Materials is a high-quality open access journal from Nature Research that publishes research papers applying computational approaches for the design of new materials and enhancing our understanding of existing ones. The journal also welcomes papers on new computational techniques and the refinement of current approaches that support these aims, as well as experimental papers that complement computational findings.
Some key features of npj Computational Materials include a 2-year impact factor of 12.241 (2021), article downloads of 1,138,590 (2021), and a fast turnaround time of 11 days from submission to the first editorial decision. The journal is indexed in various databases and services, including Chemical Abstracts Service (ACS), Astrophysics Data System (ADS), Current Contents/Physical, Chemical and Earth Sciences, Journal Citation Reports/Science Edition, SCOPUS, EI Compendex, INSPEC, Google Scholar, SCImago, DOAJ, CNKI, and Science Citation Index Expanded (SCIE), among others.
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