Interpretable Embeddings From Molecular Simulations Using Gaussian Mixture Variational Autoencoders.
Yasemin Bozkurt VarolgunesTristan BereauJoseph F. RudzinskiPublished in: CoRR (2019)
Keyphrases
- gaussian mixture
- molecular dynamics
- em algorithm
- mixtures of gaussians
- gaussian mixture model
- closed form
- probability density function
- expectation maximization
- mixture model
- covariance matrix
- denoising
- density estimation
- image segmentation
- low dimensional
- probability density
- kl divergence
- gaussian density
- dimensionality reduction
- higher order
- nearest neighbor
- multiscale
- feature selection