Defect graph neural networks for materials discovery in high-temperature clean-energy applications.
Matthew D. WitmanAnuj GoyalTadashi OgitsuAnthony H. McDanielStephan LanyPublished in: Nat. Comput. Sci. (2023)
Keyphrases
- high temperature
- neural network
- graph theory
- knowledge discovery
- graph representation
- graph structure
- pattern recognition
- multi layer
- structured data
- data mining
- connected components
- neural network model
- neural nets
- energy consumption
- graph theoretic
- weighted graph
- fuzzy logic
- directed acyclic graph
- graph mining
- artificial neural networks
- graph partitioning
- genetic algorithm
- community discovery
- feed forward neural networks
- activation function
- graph model
- back propagation
- recurrent neural networks
- energy minimization
- directed graph