{"title":"多元素电催化剂发现的多模态机器人平台。","authors":"Zhen Zhang,Zhichu Ren,Chia-Wei Hsu,Weibin Chen,Zhang-Wei Hong,Chi-Feng Lee,Aubrey Penn,Hongbin Xu,Daniel J Zheng,Shuhan Miao,Yimeng Huang,Yifan Gao,Weiyin Chen,Hugh Smith,Yaoshen Niu,Yunsheng Tian,Ying-Rui Lu,Yu-Cheng Shao,Sipei Li,Hsiao-Tsu Wang,Iwnetim I Abate,Pulkit Agrawal,Yang Shao-Horn,Ju Li","doi":"10.1038/s41586-025-09640-5","DOIUrl":null,"url":null,"abstract":"One of the goals of 'AI for Science' is to discover customized materials through real-world experiments. Pioneering advances have been achieved in computational predictions and the automation of materials synthesis1-7. Yet, most materials experimentation remains constrained to using unimodal active learning (AL) approaches, relying on a single data stream. The potential of AI to interpret experimental complexity remains largely untapped8,9. Here we present Copilot for Real-world Experimental Scientists (CRESt), a platform that integrates large multimodal models (LMMs, incorporating chemical compositions, text embeddings, and microstructural images) with Knowledge-Assisted Bayesian Optimization (KABO) and robotic automation. CRESt employs knowledge-embedding-based search space reduction and adaptive exploration-exploitation strategy to accelerate materials design, high-throughput synthesis and characterization, and electrochemical performance optimization. CRESt allows monitoring with cameras and vision-language-model-driven hypothesis generation to diagnose and correct experimental anomalies. Applied to electrochemical formate oxidation, CRESt explored over 900 catalyst chemistries and 3500 electrochemical tests within 3 months, identifying a state-of-the-art catalyst in the octonary chemical space (Pd-Pt-Cu-Au-Ir-Ce-Nb-Cr) which exhibits a 9.3-fold improvement in cost-specific performance.","PeriodicalId":18787,"journal":{"name":"Nature","volume":"80 1","pages":""},"PeriodicalIF":48.5000,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A multimodal robotic platform for multi-element electrocatalyst discovery.\",\"authors\":\"Zhen Zhang,Zhichu Ren,Chia-Wei Hsu,Weibin Chen,Zhang-Wei Hong,Chi-Feng Lee,Aubrey Penn,Hongbin Xu,Daniel J Zheng,Shuhan Miao,Yimeng Huang,Yifan Gao,Weiyin Chen,Hugh Smith,Yaoshen Niu,Yunsheng Tian,Ying-Rui Lu,Yu-Cheng Shao,Sipei Li,Hsiao-Tsu Wang,Iwnetim I Abate,Pulkit Agrawal,Yang Shao-Horn,Ju Li\",\"doi\":\"10.1038/s41586-025-09640-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"One of the goals of 'AI for Science' is to discover customized materials through real-world experiments. Pioneering advances have been achieved in computational predictions and the automation of materials synthesis1-7. Yet, most materials experimentation remains constrained to using unimodal active learning (AL) approaches, relying on a single data stream. The potential of AI to interpret experimental complexity remains largely untapped8,9. Here we present Copilot for Real-world Experimental Scientists (CRESt), a platform that integrates large multimodal models (LMMs, incorporating chemical compositions, text embeddings, and microstructural images) with Knowledge-Assisted Bayesian Optimization (KABO) and robotic automation. CRESt employs knowledge-embedding-based search space reduction and adaptive exploration-exploitation strategy to accelerate materials design, high-throughput synthesis and characterization, and electrochemical performance optimization. CRESt allows monitoring with cameras and vision-language-model-driven hypothesis generation to diagnose and correct experimental anomalies. Applied to electrochemical formate oxidation, CRESt explored over 900 catalyst chemistries and 3500 electrochemical tests within 3 months, identifying a state-of-the-art catalyst in the octonary chemical space (Pd-Pt-Cu-Au-Ir-Ce-Nb-Cr) which exhibits a 9.3-fold improvement in cost-specific performance.\",\"PeriodicalId\":18787,\"journal\":{\"name\":\"Nature\",\"volume\":\"80 1\",\"pages\":\"\"},\"PeriodicalIF\":48.5000,\"publicationDate\":\"2025-09-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Nature\",\"FirstCategoryId\":\"103\",\"ListUrlMain\":\"https://doi.org/10.1038/s41586-025-09640-5\",\"RegionNum\":1,\"RegionCategory\":\"综合性期刊\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MULTIDISCIPLINARY SCIENCES\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nature","FirstCategoryId":"103","ListUrlMain":"https://doi.org/10.1038/s41586-025-09640-5","RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}
A multimodal robotic platform for multi-element electrocatalyst discovery.
One of the goals of 'AI for Science' is to discover customized materials through real-world experiments. Pioneering advances have been achieved in computational predictions and the automation of materials synthesis1-7. Yet, most materials experimentation remains constrained to using unimodal active learning (AL) approaches, relying on a single data stream. The potential of AI to interpret experimental complexity remains largely untapped8,9. Here we present Copilot for Real-world Experimental Scientists (CRESt), a platform that integrates large multimodal models (LMMs, incorporating chemical compositions, text embeddings, and microstructural images) with Knowledge-Assisted Bayesian Optimization (KABO) and robotic automation. CRESt employs knowledge-embedding-based search space reduction and adaptive exploration-exploitation strategy to accelerate materials design, high-throughput synthesis and characterization, and electrochemical performance optimization. CRESt allows monitoring with cameras and vision-language-model-driven hypothesis generation to diagnose and correct experimental anomalies. Applied to electrochemical formate oxidation, CRESt explored over 900 catalyst chemistries and 3500 electrochemical tests within 3 months, identifying a state-of-the-art catalyst in the octonary chemical space (Pd-Pt-Cu-Au-Ir-Ce-Nb-Cr) which exhibits a 9.3-fold improvement in cost-specific performance.
期刊介绍:
Nature is a prestigious international journal that publishes peer-reviewed research in various scientific and technological fields. The selection of articles is based on criteria such as originality, importance, interdisciplinary relevance, timeliness, accessibility, elegance, and surprising conclusions. In addition to showcasing significant scientific advances, Nature delivers rapid, authoritative, insightful news, and interpretation of current and upcoming trends impacting science, scientists, and the broader public. The journal serves a dual purpose: firstly, to promptly share noteworthy scientific advances and foster discussions among scientists, and secondly, to ensure the swift dissemination of scientific results globally, emphasizing their significance for knowledge, culture, and daily life.