ChemoVerse: Manifold Traversal of Latent Spaces for Novel Molecule Discovery.
Harshdeep SinghNicholas McCarthyQurrat Ul AinJeremiah HayesPublished in: ADGN@ECAI (2020)
Keyphrases
- latent space
- riemannian manifolds
- low dimensional
- manifold structure
- lower dimensional
- latent variables
- gaussian process latent variable models
- euclidean space
- high dimensional
- data mining
- high dimensional data
- manifold learning
- data structure
- parameter space
- data sets
- configuration space
- scientific discovery
- neural network
- generative model
- knowledge discovery