Putting Density Functional Theory to the Test in Machine-Learning-Accelerated Materials Discovery.
Chenru DuanFang LiuAditya NandyHeather J. KulikPublished in: CoRR (2022)
Keyphrases
- machine learning
- data mining
- computer vision
- knowledge discovery
- theoretical framework
- neural network
- inductive learning
- learning tasks
- test data
- learning systems
- scientific discovery
- general theory
- explanation based learning
- web services
- statistical significance
- feature selection
- inductive logic programming
- information theory
- theoretical basis
- low density
- learning process
- formal theory
- statistical learning theory
- domain theory
- statistical tests
- data sets
- learning materials
- decision trees
- test cases
- reinforcement learning
- model selection
- natural language processing
- support vector machine
- computer science