Dimensionality reduction methods for molecular simulations.
Stefan DoerrIgor ArizMatthew J. HarveyGianni De FabritiisPublished in: CoRR (2017)
Keyphrases
- dimensionality reduction methods
- dimensionality reduction
- molecular dynamics
- discriminant analysis
- knn
- principal component analysis
- data sets
- molecular dynamics simulations
- discriminant projection
- nonlinear dimensionality reduction
- preprocessing step
- principal components analysis
- distance measure
- random projections
- linear discriminant analysis
- k nearest neighbor
- low dimensional
- high dimensional
- digital libraries
- support vector machine svm
- high resolution
- document clustering
- co occurrence
- training set
- feature fusion
- learning algorithm
- database