17 citations · 17 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2021★ 17 cited
Accelerating Materials Discovery with Bayesian Optimization and Graph Deep Learning
Yunxing Zuo, Mingde Qin, Chi Chen +4
Machine learning (ML) models utilizing structure-based features provide an efficient means for accurate property predictions across diverse chemical spaces. However, obtaining equi…
cond-mat.mtrl-sci2020
Learning Properties of Ordered and Disordered Materials from Multi-fidelity Data
Chi Chen, Yunxing Zuo, Weike Ye +2
Predicting the properties of a material from the arrangement of its atoms is a fundamental goal in materials science. While machine learning has emerged in recent years as a new pa…
cond-mat.mtrl-sci2018
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Chi Chen, Weike Ye, Yunxing Zuo +2
Graph networks are a new machine learning (ML) paradigm that supports both relational reasoning and combinatorial generalization. Here, we develop universal MatErials Graph Network…