Weisfeiler-Lehman Embedding for Molecular Graph Neural Networks.
Katsuhiko IshiguroKenta OonoKohei HayashiPublished in: CoRR (2020)
Keyphrases
- neural network
- graph kernels
- graph embedding
- random walk
- graph representation
- artificial neural networks
- multi layer
- graph structure
- pattern recognition
- fuzzy logic
- directed graph
- back propagation
- graph theory
- bipartite graph
- graph model
- multilayer perceptron
- neural network model
- structured data
- genetic algorithm
- graph theoretic
- multidimensional scaling
- spectral embedding
- graph mining
- graph matching
- connected components
- graph databases
- undirected graph
- directed acyclic graph
- neural nets
- dimensionality reduction
- principal component analysis