interpretability CrysGraphFormer: an equivariant graph transformer for prediction of lattice thermal conductivity with interpretability By pubs.rsc.org Published On :: J. Mater. Chem. A, 2024, 12,30707-30721DOI: 10.1039/D4TA04495A, PaperZhengyu Sun, Weiwei Sun, Shaohan Li, Zening Yang, Mutian Zhang, Yang Yang, Huayun Geng, Jin YuWe propose an innovative GNN model, CrysGraphFormer, which accurately predicts lattice thermal conductivity and enhances insights for material discovery.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
interpretability Scalar-on-function regression for predicting distal outcomes from intensively gathered longitudinal data: Interpretability for applied scientists By projecteuclid.org Published On :: Tue, 05 Nov 2019 22:03 EST John J. Dziak, Donna L. Coffman, Matthew Reimherr, Justin Petrovich, Runze Li, Saul Shiffman, Mariya P. Shiyko. Source: Statistics Surveys, Volume 13, 150--180.Abstract: Researchers are sometimes interested in predicting a distal or external outcome (such as smoking cessation at follow-up) from the trajectory of an intensively recorded longitudinal variable (such as urge to smoke). This can be done in a semiparametric way via scalar-on-function regression. However, the resulting fitted coefficient regression function requires special care for correct interpretation, as it represents the joint relationship of time points to the outcome, rather than a marginal or cross-sectional relationship. We provide practical guidelines, based on experience with scientific applications, for helping practitioners interpret their results and illustrate these ideas using data from a smoking cessation study. Full Article