Abstract: Towards Highly Accurate Large-Scale Ab Initio Calculations Using Fragment Molecular Orbital Method in GAMESS.
Maricris L. MayesGraham D. FletcherMark S. GordonPublished in: SC Companion (2012)
Keyphrases
- highly accurate
- high accuracy
- theoretical analysis
- detection method
- preprocessing
- capable of producing
- synthetic data
- significant improvement
- similarity measure
- cost function
- high precision
- probabilistic model
- artificial neural networks
- optimization algorithm
- main contribution
- optimization method
- segmentation method
- evaluation method
- support vector machine
- feature set
- input image
- machine learning
- classification accuracy
- experimental evaluation
- dynamic programming
- evolutionary algorithm
- pairwise
- high quality
- image processing