Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning.
Marcel F. LangerAlex GoeßmannMatthias RuppPublished in: CoRR (2020)
Keyphrases
- machine learning
- quantum mechanics
- mechanical properties
- learning materials
- machine learning methods
- knowledge acquisition
- learning algorithm
- computer vision
- data mining
- quantum computation
- interpolation methods
- explanation based learning
- inductive learning
- inductive logic programming
- machine learning algorithms
- pattern recognition
- active learning
- supervised learning
- computational intelligence
- reinforcement learning
- decision trees
- numerical simulations
- learning systems
- unsupervised learning
- model selection
- mechanical design
- interpolation algorithm
- materials science
- text mining
- feature selection
- multiple representations
- linear interpolation
- finite element model
- interpolation method
- symbolic representation
- natural language
- data analysis
- evolutionary algorithm
- knowledge discovery
- higher level
- natural language processing
- text classification