From Prediction to Action: The Critical Role of Proper Performance Estimation for Machine-Learning-Driven Materials Discovery.
Mario BoleyFelix LuongSimon TeshuvaDaniel F. SchmidtLucas FoppaMatthias SchefflerPublished in: CoRR (2023)
Keyphrases
- machine learning
- prediction accuracy
- data mining
- knowledge discovery
- machine learning algorithms
- machine learning and statistical
- prediction model
- pattern recognition
- machine learning methods
- data driven
- information extraction
- learning algorithm
- prediction algorithm
- active learning
- feature selection
- scientific discovery
- natural language processing
- computational intelligence
- knowledge representation
- predictive modeling
- estimation accuracy
- computational biology
- data analysis
- learning materials
- action selection
- prediction error
- density estimation
- learning tasks
- computer vision
- action recognition
- learning systems
- genetic algorithm
- supervised learning
- support vector machine