Harmonizing Covariance and Expressiveness for Deep Hamiltonian Regression in Crystalline Material Research: a Hybrid Cascaded Regression Framework. - Shi Yin; Xinyang Pan; Xudong Zhu; Tianyu Gao; Haochong Zhang; Feng Wu 001; Lixin He (CoRR, 2024)

A Framework of SO(3)-equivariant Non-linear Representation Learning and its Application to Electronic-Structure Hamiltonian Prediction. - Shi Yin; Xinyang Pan; Fengyan Wang; Feng Wu 001; Lixin He (CoRR, 2024)

Towards harmonization of SO(3)-equivariance and expressiveness: a hybrid deep learning framework for electronic-structure Hamiltonian prediction. - Shi Yin; Xinyang Pan; Xudong Zhu; Tianyu Gao; Haochong Zhang; Feng Wu 001; Lixin He (Mach. Learn. Sci. Technol., 2024)