{"title":"分子和材料的多保真贝叶斯优化指南。","authors":"Qia Ke, Cory M. Simon","doi":"10.1038/s43588-025-00833-6","DOIUrl":null,"url":null,"abstract":"A recent study provides intuition and guidelines for deciding whether to incorporate cheaper, lower-fidelity experiments into a closed-loop search for molecules and materials with desired properties.","PeriodicalId":74246,"journal":{"name":"Nature computational science","volume":"5 7","pages":"518-519"},"PeriodicalIF":18.3000,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Guidelines for multi-fidelity Bayesian optimization of molecules and materials\",\"authors\":\"Qia Ke, Cory M. Simon\",\"doi\":\"10.1038/s43588-025-00833-6\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A recent study provides intuition and guidelines for deciding whether to incorporate cheaper, lower-fidelity experiments into a closed-loop search for molecules and materials with desired properties.\",\"PeriodicalId\":74246,\"journal\":{\"name\":\"Nature computational science\",\"volume\":\"5 7\",\"pages\":\"518-519\"},\"PeriodicalIF\":18.3000,\"publicationDate\":\"2025-07-23\",\"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/s43588-025-00833-6\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nature computational science","FirstCategoryId":"1085","ListUrlMain":"https://www.nature.com/articles/s43588-025-00833-6","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
Guidelines for multi-fidelity Bayesian optimization of molecules and materials
A recent study provides intuition and guidelines for deciding whether to incorporate cheaper, lower-fidelity experiments into a closed-loop search for molecules and materials with desired properties.
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