Tuesday, 15 October 2019: 13:30
Room 216 (The Hilton Atlanta)
Machine learning (ML) is rapidly emerging as an important tool for materials discovery. In this talk, we will address key considerations involved in applying ML to materials design problems, including: using sequential learning for inverse design of materials with target properties; quantifying model performance when extrapolating to new chemistries (rather than interpolating among well-known chemistries); and optimizing the design space (i.e., the set of candidates to search with ML).
