Machine learning for molecular simulation.
Frank NoéAlexandre TkatchenkoKlaus-Robert MüllerCecilia ClementiPublished in: CoRR (2019)
Keyphrases
- machine learning
- active learning
- three dimensional
- pattern recognition
- database
- machine learning methods
- simulation model
- data analysis
- molecular dynamics simulations
- mathematical model
- natural language
- simulation models
- molecular dynamics
- decision trees
- artificial intelligence
- simulation environment
- simulation study
- information extraction
- machine learning algorithms
- text classification
- text mining
- knowledge discovery
- semi supervised learning
- support vector machine
- expert systems
- explanation based learning
- computer science
- machine learning and data mining
- multi agent
- reinforcement learning
- molecular level
- real world