On the role of gradients for machine learning of molecular energies and forces.
Anders S. ChristensenO. Anatole von LilienfeldPublished in: Mach. Learn. Sci. Technol. (2020)
Keyphrases
- machine learning
- machine learning algorithms
- knowledge acquisition
- machine learning methods
- decision trees
- three dimensional
- pattern recognition
- data analysis
- text mining
- learning algorithm
- learning systems
- information extraction
- graph cuts
- inductive logic programming
- machine learning approaches
- semi supervised learning
- natural language processing
- computational intelligence
- higher order
- knowledge discovery
- active learning
- computer science
- reinforcement learning
- neural network
- feature selection
- inductive learning
- information retrieval
- molecular structure