Physical pooling functions in graph neural networks for molecular property prediction.
Artur M. SchweidtmannJan G. RittigJana M. WeberMartin GroheManuel DahmenKai LeonhardAlexander MitsosPublished in: Comput. Chem. Eng. (2023)
Keyphrases
- neural network
- protein function prediction
- graph theory
- prediction accuracy
- graph properties
- prediction model
- artificial neural networks to predict
- graph representation
- neural nets
- real world
- prediction algorithm
- protein structure prediction
- artificial neural networks
- genetic algorithm
- bipartite graph
- pattern recognition
- graph structure
- prediction error
- random walk
- multi layer perceptron
- global consistency
- neural network ensemble
- anti monotonic
- graph model
- connected components
- fuzzy logic
- protein interaction
- training process
- directed graph
- three dimensional
- structured data
- back propagation
- short term prediction