PyFitit: The software for quantitative analysis of XANES spectra using machine-learning algorithms.
Andrea MartiniSergey GudaAlexander GudaG. SmolentsevAlexander AlgasovOleg UsoltsevMikhail A. SoldatovAram BugaevYury RusalevC. LambertiA. V. SoldatovPublished in: Comput. Phys. Commun. (2020)
Keyphrases
- machine learning and data mining algorithms
- quantitative analysis
- machine learning algorithms
- benchmark data sets
- machine learning
- qualitative analysis
- learning algorithm
- domain specific
- decision trees
- learning problems
- qualitative evaluation
- predictive accuracy
- random forests
- machine learning methods
- qualitative and quantitative analysis
- learning tasks
- machine learning models
- standard machine learning algorithms
- machine learning approaches
- input features
- machine learning systems
- software development
- learning models
- knn
- decision tree learners
- mutual information
- neural network
- prediction accuracy