Random projections and Kernelised Leave One Cluster Out Cross-Validation: Universal baselines and evaluation tools for supervised machine learning for materials properties.
Samantha DurdyMichael W. GaultoisVladimir V. GusevDanushka BollegalaMatthew J. RosseinskyPublished in: CoRR (2022)
Keyphrases
- cross validation
- supervised machine learning
- random projections
- model selection
- support vector
- dimension reduction
- training set
- manually annotated
- dimensionality reduction
- sparse representation
- active learning
- original data
- random sampling
- feature extraction
- clustering algorithm
- hash functions
- principal component analysis
- data points
- image reconstruction
- data sets
- supervised learning
- machine learning