Manifold learning in atomistic simulations: a conceptual review.
Jakub RydzewskiMing ChenOmar ValssonPublished in: Mach. Learn. Sci. Technol. (2023)
Keyphrases
- manifold learning
- dimensionality reduction
- diffusion maps
- nonlinear dimensionality reduction
- low dimensional
- high dimensional
- semi supervised
- dimension reduction
- feature extraction
- laplacian eigenmaps
- subspace learning
- high dimensional data
- head pose estimation
- feature space
- sparse representation
- locality preserving projections
- low dimensional manifolds
- locality preserving
- manifold learning algorithm
- nonlinear manifold
- semi supervised learning
- training set
- geodesic distance
- manifold structure
- data sets