{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/a-framework-for-fully-autonomous-design-of","title":"A framework for fully autonomous design of materials via multiobjective optimization and active learning: challenges and next steps","arxiv_id":"2304.07445","date":"2023-04-15","proceeding":null,"authors":["Tyler H. Chang","Jakob R. Elias","Stefan M. Wild","Santanu Chaudhuri","Joseph A. Libera"],"abstract":"In order to deploy machine learning in a real-world self-driving laboratory where data acquisition is costly and there are multiple competing design criteria, systems need to be able to intelligently sample while balancing performance trade-offs and constraints. For these reasons, we present an active learning process based on multiobjective black-box optimization with continuously updated machine learning models. This workflow is built on open-source technologies for real-time data streaming and modular multiobjective optimization software development. We demonstrate a proof of concept for this workflow through the autonomous operation of a continuous-flow chemistry laboratory, which identifies ideal manufacturing conditions for the electrolyte 2,2,2-trifluoroethyl methyl carbonate.","url_abs":"https://arxiv.org/abs/2304.07445v1","url_pdf":"https://arxiv.org/pdf/2304.07445v1.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"abstracts"},"code_links":[{"paper_slug":"a-framework-for-fully-autonomous-design-of","repo_url":"https://github.com/parmoo/cfr-materials","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":0,"framework":"none","reach":null}],"tasks":[{"task_slug":"active-learning","task_name":"Active Learning"},{"task_slug":"multiobjective-optimization","task_name":"Multiobjective Optimization"}],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}