Metric learning for kernel ridge regression: assessment of molecular similarity.
Raimon FabregatPuck van GerwenMatthieu HaeberleFriedrich EisenbrandClémence CorminboeufPublished in: Mach. Learn. Sci. Technol. (2022)
Keyphrases
- metric learning
- kernel ridge regression
- kernel matrix
- distance metric
- distance function
- semi supervised
- euclidean distance
- distance measure
- pairwise
- positive semidefinite
- similarity measure
- semidefinite programming
- learning tasks
- kernel methods
- gradient boosting
- parameter selection
- multi task
- dimensionality reduction
- feature space
- kernel learning
- similarity search
- semi supervised learning
- similarity function
- multiple features
- pairwise constraints
- labeled data
- data sets
- nearest neighbor
- data points
- high dimensional
- feature vectors
- reproducing kernel hilbert space
- knn
- training data
- support vector