A refined cavity construction algorithm for the conductor-like screening model.
Andreas KlamtMichael DiedenhofenPublished in: J. Comput. Chem. (2018)
Keyphrases
- theoretical analysis
- probabilistic model
- recognition algorithm
- mathematical model
- cost function
- expectation maximization
- computational model
- final result
- algorithm employs
- optimization model
- markov model
- classification algorithm
- closed form
- objective function
- algorithm has been developed
- input data
- learning algorithm
- optimization method
- preprocessing
- matching algorithm
- worst case
- optimization algorithm
- parameter estimation
- estimation algorithm
- em algorithm
- dynamic programming
- significant improvement
- computational complexity
- hyper graph
- selection algorithm
- filtering algorithm
- model free
- simulation study
- multiple models
- neural network
- segmentation algorithm
- probability distribution
- experimental evaluation
- similarity measure
- kalman filter
- prior information
- segmentation method
- clustering method
- improved algorithm
- level set
- support vector machine
- k means
- optimal solution
- reinforcement learning
- genetic algorithm