Incorporation of local structure into kriging models for the prediction of atomistic properties in the water decamer.
Stuart J. DavieNicodemo Di PasqualePaul L. A. PopelierPublished in: J. Comput. Chem. (2016)
Keyphrases
- statistical models
- structural properties
- desirable properties
- predictive model
- prediction model
- models built
- complex systems
- autoregressive
- probabilistic model
- prediction accuracy
- structural information
- geometrical properties
- neural network
- accurate models
- topological properties
- mathematical models
- graph structure
- network structure
- bit rate
- model selection
- graphical models
- video sequences