Search Results for author: Lixin He

Found 2 papers, 1 papers with code

Harmonizing Covariance and Expressiveness for Deep Hamiltonian Regression in Crystalline Material Research: a Hybrid Cascaded Regression Framework

no code implementations1 Jan 2024 Shi Yin, Xinyang Pan, XUDONG ZHU, Tianyu Gao, Haochong Zhang, Feng Wu, Lixin He

Deep learning for Hamiltonian regression of quantum systems in material research necessitates satisfying the covariance laws, among which achieving SO(3)-equivariance without sacrificing the expressiveness capability of networks remains unsolved due to the restriction on non-linear mappings in assuring theoretical equivariance.

regression

Molecular Property Prediction: A Multilevel Quantum Interactions Modeling Perspective

2 code implementations25 Jun 2019 Chengqiang Lu, Qi Liu, Chao Wang, Zhenya Huang, Peize Lin, Lixin He

In this paper, we propose a generalizable and transferable Multilevel Graph Convolutional neural Network (MGCN) for molecular property prediction.

Graph Regression Molecular Property Prediction +1

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