Strategies for the construction of machine-learning potentials for accurate and efficient atomic-scale simulations.
April M. MikschTobias MorawietzJohannes KästnerAlexander UrbanNongnuch ArtrithPublished in: Mach. Learn. Sci. Technol. (2021)
Keyphrases
- machine learning
- computationally efficient
- scale space
- computer vision
- decision trees
- artificial intelligence
- knowledge discovery
- high accuracy
- databases
- data sets
- feature selection
- small scale
- high quality
- pattern recognition
- machine learning algorithms
- database
- error analysis
- computationally expensive
- data analysis
- multiscale
- knowledge base
- genetic algorithm