GemNet: Universal Directional Graph Neural Networks for Molecules.
Johannes GasteigerFlorian BeckerStephan GünnemannPublished in: NeurIPS (2021)
Keyphrases
- neural network
- graph representation
- graph theory
- pattern recognition
- graph model
- stable set
- multi layer
- multilayer perceptron
- directed graph
- fuzzy logic
- structured data
- graph theoretic
- graph matching
- random walk
- artificial neural networks
- network architecture
- genetic algorithm
- graph data
- clustering algorithm
- multi layer perceptron
- spanning tree
- directed acyclic graph
- bipartite graph
- connected components
- graph partitioning
- graph cuts
- back propagation
- graph construction
- graph search
- subgraph isomorphism
- chemical compounds
- self organizing maps