Datasets:
File size: 1,322 Bytes
cf4d589 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 | {
"READY": true,
"name": "Noc_s",
"task": "regression",
"cat_idx": [],
"num_samples": 72,
"num_features": 380,
"description": "PTR-ToF-MS analysis of hazelnut paste (Corylus avellana L.) from different geographical origins, roasted at varying times and temperatures (72 samples, 380 peaks, 24 batches of technical replicates). Regression: predicted value is the roasting time. S/P=0.19. Experimental details in Mazzucotelli et al. Source PTR-ToF-MS peak values are area-normalized to a row sum of one and are retained without an additional logarithmic transformation. Feature scaling is fitted within each training partition. Five grouped outer folds test every sample exactly once. All samples sharing a source ID stay together in outer and inner CV and in the final-fit validation holdout; source IDs are split metadata, not features.",
"source": "On the use of TabPFN on mass spectrometry analysis of volatile organic compounds. Scientific Reports (2025). GitHub: https://github.com/CIFASIS/TabPFN-VOCS",
"label": "Metabolomics",
"sub_labels": [
"mass spectrometry",
"volatile organic compounds"
],
"force_scale": true,
"split_strategy": "cv",
"split_group": "source_ID",
"outer_split_protocol": "grouped_outer_partition_v1",
"feature_representation": "source_area_normalized"
}
|