Interpretable embeddings from molecular simulations using Gaussian mixture variational autoencoders.
Yasemin Bozkurt VarolgunesTristan BereauJoseph F. RudzinskiPublished in: Mach. Learn. Sci. Technol. (2020)
Keyphrases
- gaussian mixture
- molecular dynamics
- mixtures of gaussians
- closed form
- em algorithm
- gaussian mixture model
- expectation maximization
- denoising
- probability density function
- image segmentation
- covariance matrix
- density estimation
- kl divergence
- gaussian density
- mixture of gaussians
- probability density
- mixture model
- dimensionality reduction
- low dimensional
- distance measure
- high dimensional data
- natural images
- lower bound