Absorption in Ionic Liquids with Molecular Descriptors and Explainable Graph Neural Networks.
Yue JianYuyang WangAmir Barati FarimaniPublished in: CoRR (2022)
Keyphrases
- neural network
- graph representation
- three dimensional
- pattern recognition
- random walk
- directed graph
- fuzzy logic
- weighted graph
- genetic algorithm
- graph structure
- protein function prediction
- bipartite graph
- graph matching
- image retrieval
- structured data
- object recognition
- dna computing
- graph theoretic
- undirected graph
- graph model
- training process
- multi layer
- semi supervised
- connected components
- fault diagnosis
- neural nets
- self organizing maps
- shape descriptors
- feed forward
- neural network model
- radial basis function
- keypoints