Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials.
Aidan P. ThompsonLaura P. SwilerChristian R. TrottS. M. FoilesGarritt J. TuckerPublished in: J. Comput. Phys. (2015)
Keyphrases
- detection method
- high accuracy
- high precision
- spectral analysis
- classification accuracy
- clustering method
- neural network
- experimental evaluation
- preprocessing
- significant improvement
- image analysis
- computationally efficient
- bayesian networks
- cost function
- pairwise
- objective function
- synthetic data
- high order
- error analysis
- multispectral images
- decision trees