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+ ---
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+ license: cdla-permissive-2.0
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+ task_categories:
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+ - tabular-regression
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+ pretty_name: Noc_s
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+ tags:
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+ - tabular
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+ - metabolomics
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+ - regression
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+ - Biomedical
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+ - Benchmark
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+ - mass-spectrometry
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+ - volatile-organic-compounds
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+ configs:
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+ - config_name: Noc_s
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+ data_files:
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+ - split: fold_0_train
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+ path: data/fold_0/train.parquet
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+ - split: fold_0_validation
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+ path: data/fold_0/val.parquet
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+ - split: fold_0_test
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+ path: data/fold_0/test.parquet
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+ - split: fold_1_train
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+ path: data/fold_1/train.parquet
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+ - split: fold_1_validation
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+ path: data/fold_1/val.parquet
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+ - split: fold_1_test
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+ path: data/fold_1/test.parquet
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+ - split: fold_2_train
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+ path: data/fold_2/train.parquet
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+ - split: fold_2_validation
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+ path: data/fold_2/val.parquet
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+ - split: fold_2_test
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+ path: data/fold_2/test.parquet
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+ - split: fold_3_train
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+ path: data/fold_3/train.parquet
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+ - split: fold_3_validation
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+ path: data/fold_3/val.parquet
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+ - split: fold_3_test
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+ path: data/fold_3/test.parquet
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+ - split: fold_4_train
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+ path: data/fold_4/train.parquet
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+ - split: fold_4_validation
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+ path: data/fold_4/val.parquet
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+ - split: fold_4_test
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+ path: data/fold_4/test.parquet
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+ dataset_info:
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+ description: 'PTR-ToF-MS analysis of hazelnut paste (Corylus avellana L.) from different
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+ geographical origins, roasted at varying times and temperatures (72 samples, 380
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+ peaks, 24 batches of technical replicates). Regression: predicted value is the
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+ roasting time. S/P=0.19. Experimental details in Mazzucotelli et al. Features
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+ are standard-scaled (StandardScaler). 5-fold cross-validation splits are batch-aware:
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+ all samples sharing the same measurement batch (IDs field) are kept together in
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+ the same fold to prevent data leakage from technical replicates and batch effects.'
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+ ---