Learning properties of ordered and disordered materials from multi-fidelity data. - Chi Chen; Yunxing Zuo; Weike Ye; Xiangguo Li; Shyue Ping Ong (Nat. Comput. Sci., 2021)

Domain-Knowledge-Guided Machine Learning Towards Accurate Materials Property Prediction and Materials Discovery - Weike Ye (2021)

The Role of Reference Points in Machine-Learned Atomistic Simulation Models. - Xiangyun Lei; Weike Ye; Joseph H. Montoya; Timothy Mueller; Linda Hung; Jens S. Hummelshoej (CoRR, 2023)

UniMat: Unifying Materials Embeddings through Multi-modal Learning. - Janghoon Ock; Joseph H. Montoya; Daniel Schweigert; Linda Hung; Santosh K. Suram; Weike Ye (CoRR, 2024)

XxaCT-NN: Structure Agnostic Multimodal Learning for Materials Science. - Jithendaraa Subramanian; Linda Hung; Daniel Schweigert; Santosh K. Suram; Weike Ye (CoRR, 2025)