Domain-informed graph neural networks: A quantum chemistry case study.
Jay Paul MorganAdeline PaiementChristian KlinkePublished in: Neural Networks (2023)
Keyphrases
- case study
- neural network
- domain independent
- graph structure
- graph theory
- real world
- lessons learned
- directed graph
- software development
- artificial neural networks
- weighted graph
- structured data
- fault diagnosis
- transfer learning
- random walk
- domain specific
- development process
- feed forward
- neural nets
- genetic algorithm
- graph databases
- quantum computation