Classifier-free graph diffusion for molecular property targeting.
Matteo NinniriMarco PoddaDavide BacciuPublished in: CoRR (2023)
Keyphrases
- diffusion process
- training data
- graph properties
- learning algorithm
- global consistency
- graph representation
- directed graph
- support vector machine
- feature space
- feature selection
- anisotropic diffusion
- graph structure
- graph theoretic
- graph theory
- structured data
- class labels
- bipartite graph
- support vector
- classification scheme
- linear classifiers
- connected components
- classification method
- three dimensional
- decision trees
- random walk
- feature set
- drug discovery
- information propagation
- graph matching
- graph model
- weighted graph
- classification algorithm
- svm classifier
- data sets
- anti monotonic
- bounded degree
- training set
- dna computing
- spanning tree
- k nearest neighbor
- multi class
- knn