Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground.
Christoph SchranJörg BehlerDominik MarxPublished in: CoRR (2019)
Keyphrases
- clustering algorithm
- neural network
- hierarchical clustering
- data clustering
- cluster analysis
- overlapping clusters
- self organizing maps
- intra cluster
- high accuracy
- inter cluster
- prediction accuracy
- data points
- disjoint clusters
- cluster centers
- clustering approaches
- subspace clustering
- artificial neural networks
- clustering quality
- agglomerative hierarchical clustering
- arbitrary shape
- hierarchical clustering algorithm
- possibilistic clustering
- constrained clustering
- unsupervised clustering
- fuzzy clustering
- model based clustering
- fuzzy logic
- higher order
- input data
- test cases
- hierarchical structure
- cluster structure
- clustering result
- data objects
- neural network model
- clustering framework
- density based clustering
- fault diagnosis
- similarity matrix
- subspace clusters
- clustering scheme
- gene clusters
- computational cost
- oracle real application