ProGReST: Prototypical Graph Regression Soft Trees for Molecular Property Prediction.
Dawid RymarczykDaniel DobrowolskiTomasz DanelPublished in: SDM (2023)
Keyphrases
- bounded degree
- protein function prediction
- prediction accuracy
- regression model
- predictive clustering trees
- graph properties
- decision trees
- graph theoretic
- prediction model
- linear regression model
- protein structure prediction
- random walk
- ridge regression
- linear regression
- structured data
- graph theory
- tree structure
- regression analysis
- graph structure
- bipartite graph
- three dimensional
- model selection
- drug design
- conformal prediction
- connected components
- drug discovery
- regression trees
- regression problems
- graph representation
- graph model
- graph mining
- graph matching
- radial basis function network
- regression algorithm
- gaussian processes
- target variable
- support vector
- directed graph
- neural network