Clever and Efficient Method for Searching Optimal Geometries of Lennard-Jones Clusters.
Hiroshi TakeuchiPublished in: J. Chem. Inf. Model. (2006)
Keyphrases
- high accuracy
- significant improvement
- computational complexity
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- support vector machine
- dynamic programming
- synthetic data
- preprocessing
- computationally efficient
- data structure
- similarity measure
- closed form
- segmentation method
- arbitrary shaped
- optimization method
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- data sets
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- prior knowledge
- pairwise
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- clustering algorithm
- feature selection
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- neural network