Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules.
Jun XiaChengshuai ZhaoBozhen HuZhangyang GaoCheng TanYue LiuSiyuan LiStan Z. LiPublished in: ICLR (2023)
Keyphrases
- neural network
- training process
- training algorithm
- feedforward neural networks
- feed forward neural networks
- back propagation
- multi layer perceptron
- pattern recognition
- backpropagation algorithm
- graph representation
- neural network training
- genetic algorithm
- graph theoretic
- training phase
- graph structure
- graph theory
- training data
- graph based algorithm
- graph matching
- weighted graph
- artificial neural networks
- test set
- structured data
- radial basis function network
- recurrent neural networks
- graph partitioning
- directed graph
- neural network model
- self organizing maps
- graph databases
- graph model
- technology enhanced learning
- random walk
- graph data
- online learning
- fuzzy logic
- directed acyclic graph
- recurrent networks
- multilayer perceptron
- bipartite graph