Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Shufeng Kong, Francesco Ricci, Dan Guevarra, Jeffrey B. Neaton, Carla P. Gomes | Summary: Machine learning for materials discovery has largely focused on predicting an individual scalar rather than multiple related properties, where spectral properties are an important example. Fundamental spectral properties include the phonon density […]
Continue.. Density of States Prediction for Materials Discovery via Contrastive Learning from Probabilistic Embeddings