An Atomistic Fingerprint Algorithm for Learning Ab Initio Molecular Force Fields.
Yu-Hang TangDongkun ZhangGeorge E. KarniadakisPublished in: CoRR (2017)
Keyphrases
- learning tasks
- learning algorithm
- times faster
- k means
- expectation maximization
- optimal solution
- detection algorithm
- optimization algorithm
- particle swarm optimization
- computational cost
- probabilistic model
- worst case
- three dimensional
- segmentation algorithm
- convergence rate
- simulated annealing
- high accuracy
- significant improvement
- learning process
- mobile robot
- experimental evaluation
- np hard
- cost function
- theoretical analysis
- search space
- computational complexity
- objective function
- training data
- incremental learning
- learning phase