Change point detection of events in molecular simulations using dupin.
Brandon L. ButlerDomagoj FijanSharon C. GlotzerPublished in: Comput. Phys. Commun. (2024)
Keyphrases
- change point detection
- change point
- molecular dynamics
- non stationary
- sequential data
- normalized maximum likelihood
- outlier detection
- high dimensional time series
- three dimensional
- straight line
- singular spectrum analysis
- molecular dynamics simulations
- spatio temporal
- website
- recurrent neural networks
- association rule mining
- data structure
- information retrieval
- data mining
- neural network