Can machine learning identify the next high-temperature superconductor? Examining extrapolation performance for materials discovery

• DOI: 10.1039/c8me00012c
• Publication Date: 2018-08-17T12:14:00Z
• Authors: Bryce Meredig; Erin Antono; Carena Church; Maxwell Hutchinson; Julia Ling; Sean Paradiso; Ben Blaiszik; Ian Foster; Brenna Gibbons; Jason Hattrick-Si...; Apurva Mehta; Logan Ward
• Keywords: 02 engineering and technology; 0210 nano-technology

Traditional machine learning (ML) metrics overestimate model performance for materials discovery.