Efficient determination of the Hamiltonian and electronic properties using graph neural network with complete local coordinates.
Mao SuJi-Hui YangHongjun XiangXingao GongPublished in: Mach. Learn. Sci. Technol. (2023)
Keyphrases
- neural network
- neural network model
- structured data
- computationally expensive
- graph theory
- graph properties
- pattern recognition
- graph theoretic
- connected components
- graph model
- graph matching
- graph representation
- bipartite graph
- structural properties
- recurrent neural networks
- back propagation
- artificial neural networks
- genetic algorithm