ProGReST: Prototypical Graph Regression Soft Trees for Molecular Property Prediction.
Dawid RymarczykDaniel DobrowolskiTomasz DanelPublished in: CoRR (2022)
Keyphrases
- bounded degree
- protein function prediction
- prediction accuracy
- decision trees
- predictive clustering trees
- regression model
- graph structure
- drug design
- tree structure
- protein structure prediction
- prediction model
- linear regression model
- graph properties
- graph theory
- directed graph
- connected components
- linear regression
- conformal prediction
- graph theoretic
- regression problems
- spanning tree
- tree induction
- prediction error
- graph model
- target variable
- multiple linear regression
- support vector machine
- graph representation
- three dimensional
- anti monotonic
- neural network
- maximal cliques
- survival analysis
- regression methods
- random walk
- gaussian processes
- directed acyclic graph
- weighted graph
- bipartite graph
- protein structure
- model selection
- structured data