Physical Sciences and Mathematics Commons^™

Physics-Based Human-In-The-Loop Machine Learning Combined With Genetic Algorithm Search For Multi-Criteria Optimization: Electrochemical Co2 Reduction Reaction, Naohiro Fujinuma, Samuel Lofland

Faculty Scholarship for the College of Science & Mathematics

Machine learning (ML) can be a powerful tool to expedite materials research, but the deployment for experimental research is often hindered by data scarcity and model uncertainty. An human-in-the-loop procedure to tailor the implementation of ML for multicriteria optimization is described. The effectiveness of this procedure in the development of a nafion-based membrane electrode assembly for electrochemical CO2 reduction reaction (CO2RR) into CO for two targets is demonstrated: energy efficiency (EE) and partial current density for CO2RR (). Model-agnostic nonlinear correlation analyses identify the 11 features relevant to those targets. The three studied decision tree-based ML models yield similar cross-validation …