Matbench Discovery - An evaluation framework for machine learning crystal stability prediction.
Janosh RiebesellRhys E. A. GoodallAnubhav JainPhilipp BennerKristin A. PerssonAlpha A. LeePublished in: CoRR (2023)
Keyphrases
- machine learning
- knowledge discovery
- prediction accuracy
- recursive neural networks
- machine learning algorithms
- pattern recognition
- computer vision
- machine learning methods
- data mining
- prediction error
- learning systems
- prediction algorithm
- stability analysis
- machine learning and data mining
- machine learning approaches
- learning tasks
- artificial intelligence
- knowledge acquisition
- natural language processing
- active learning
- decision trees
- supervised machine learning
- scientific discovery
- knowledge representation
- learning algorithm
- prediction model
- information extraction
- supervised learning
- reinforcement learning
- feature selection
- pattern discovery
- computational biology
- explanation based learning
- information retrieval
- evolutionary algorithm
- natural language
- unsupervised learning
- text mining