Vibrational Properties of Metastable Polymorph Structures by Machine Learning.
Fleur LegrainAmbroise van RoekeghemStefano CurtaroloJesús CarreteGeorg K. H. MadsenNatalio MingoPublished in: J. Chem. Inf. Model. (2018)
Keyphrases
- machine learning
- machine learning methods
- machine learning algorithms
- knowledge acquisition
- data mining
- learning algorithm
- desirable properties
- pattern recognition
- real time
- machine learning approaches
- learning tasks
- natural language processing
- structural features
- model selection
- rough sets
- computational intelligence
- knowledge discovery
- active learning
- artificial intelligence
- real world
- data sets