Example: Metabolomics Regression 20260106_082133Completed
Algorithm: Random Forest Regressor | Created: January 06, 2026 at 08:21
Performance Metrics
Mae
6.498
± 0.1585Pearson
0.9248
± 0.011Spearman
0.9093
± 0.0159R2 pearson
0.8553
± 0.0202Detailed Metrics (Across All Folds)
| Metric | Mean | Std Dev | Min | Max |
|---|---|---|---|---|
| Mae | 6.4980 | 0.1585 | 6.3056 | 6.7862 |
| Pearson | 0.9248 | 0.0110 | 0.9045 | 0.9360 |
| Spearman | 0.9093 | 0.0159 | 0.8816 | 0.9308 |
| R2 pearson | 0.8553 | 0.0202 | 0.8180 | 0.8761 |
Feature Selection Frequency

Top Features (Avg. Importance)
| Rank | Feature | Mean | Std Dev |
|---|---|---|---|
| 1 | metabolite_1 | 0.4418 | 0.0229 |
| 2 | metabolite_4 | 0.2824 | 0.0267 |
| 3 | metabolite_2 | 0.1257 | 0.0205 |
| 4 | metabolite_3 | 0.0687 | 0.0121 |
| 5 | metabolite_5 | 0.0215 | 0.0012 |
| 6 | metabolite_26 | 0.0175 | 0.0 |
| 7 | metabolite_12 | 0.0155 | 0.0 |
| 8 | metabolite_30 | 0.0152 | 0.0035 |
| 9 | metabolite_21 | 0.0143 | 0.0 |
| 10 | metabolite_41 | 0.0135 | 0.0014 |
Regression Analysis
Compare training and test set predictions to evaluate model overfitting. Similar performance indicates good generalization.
Training Set Performance

Model predictions on training data (may show overfitting if much better than test)
Test Set Performance

Model predictions on held-out test data (true generalization performance)
Configuration
Hyperparameters
| Max depth | 10 |
|---|---|
| N estimators | 50 |
| Random state | 42 |
Data Configuration
| Feature Selection | kbest_f |
|---|---|
| Validation | kfold |
| Target Column | target |
Generated Reports
Pipeline Data & Stages
Pipeline execution flow and intermediate datasets.
CLI Command (Copy-Paste Ready)
OMP_NUM_THREADS=1 OPENBLAS_NUM_THREADS=1 MKL_NUM_THREADS=1 VECLIB_MAXIMUM_THREADS=1 NUMEXPR_NUM_THREADS=1 /opt/ml-env/bin/python /app/scripts/ml_pipeline.py --config /app/public/ml_results/83/job_config.jsonStandard Output (stdout)
{"job_id": 83, "algorithm": "random_forest_regressor", "n_folds": 5, "holdout_used": false, "per_fold_results": [{"fold": 1, "metrics": {"r2": 0.8045535748015469, "mse": 62.75803816788853, "mae": 6.491798875000001, "rmse": 7.921997107288574, "pearson": 0.9238652862730028, "r2_pearson": 0.8535270671802974, "spearman": 0.9078799249530958}, "selected_features": ["metabolite_1", "metabolite_2", "metabolite_3", "metabolite_4", "metabolite_10", "metabolite_12", "metabolite_27", "metabolite_30", "metabolite_41", "metabolite_49"], "feature_importance": {"metabolite_1": 0.44552477472258983, "metabolite_2": 0.12801346336073335, "metabolite_3": 0.07373078484329189, "metabolite_4": 0.27968481279158075, "metabolite_10": 0.01095033881983243, "metabolite_12": 0.01546163173788892, "metabolite_27": 0.010720637404246391, "metabolite_30": 0.011700567915695305, "metabolite_41": 0.01483581380974126, "metabolite_49": 0.009377174594399858}, "model_file": "model_fold_1.joblib", "y_true": [90.0, 54.48, 60.74, 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0.0114225933644394, "std": 0.0}}, "feature_selection_stats": [{"feature": "metabolite_3", "count": 5, "frequency": 1.0}, {"feature": "metabolite_4", "count": 5, "frequency": 1.0}, {"feature": "metabolite_49", "count": 5, "frequency": 1.0}, {"feature": "metabolite_2", "count": 5, "frequency": 1.0}, {"feature": "metabolite_1", "count": 5, "frequency": 1.0}, {"feature": "metabolite_27", "count": 5, "frequency": 1.0}, {"feature": "metabolite_41", "count": 5, "frequency": 1.0}, {"feature": "metabolite_10", "count": 4, "frequency": 0.8}, {"feature": "metabolite_5", "count": 2, "frequency": 0.4}, {"feature": "metabolite_30", "count": 2, "frequency": 0.4}, {"feature": "metabolite_21", "count": 1, "frequency": 0.2}, {"feature": "metabolite_35", "count": 1, "frequency": 0.2}, {"feature": "metabolite_32", "count": 1, "frequency": 0.2}, {"feature": "metabolite_12", "count": 1, "frequency": 0.2}, {"feature": "metabolite_13", "count": 1, "frequency": 0.2}, {"feature": "metabolite_9", "count": 1, "frequency": 0.2}, {"feature": "metabolite_26", "count": 1, "frequency": 0.2}], "feature_importance": {"metabolite_1": {"mean": 0.44176626426561966, "std": 0.022853118439220554}, "metabolite_2": {"mean": 0.12571391139950533, "std": 0.020508102976349824}, "metabolite_3": {"mean": 0.06866062002887635, "std": 0.012127045907874471}, "metabolite_4": {"mean": 0.2823908221432863, "std": 0.026682219546454562}, "metabolite_10": {"mean": 0.011624214848396552, "std": 0.002190786628456188}, "metabolite_12": {"mean": 0.01546163173788892, "std": 0.0}, "metabolite_27": {"mean": 0.013237248256334443, "std": 0.001449475846394688}, "metabolite_30": {"mean": 0.015203436530413506, "std": 0.003502868614718202}, "metabolite_41": {"mean": 0.01350290482046999, "std": 0.0013680668212484128}, "metabolite_49": {"mean": 0.011938969500982187, "std": 0.0024078053934707662}, "metabolite_5": {"mean": 0.021475048124106506, "std": 0.0012140552075766958}, "metabolite_21": {"mean": 0.014273912809667633, "std": 0.0}, "metabolite_35": {"mean": 0.012556755449248157, "std": 0.0}, "metabolite_9": {"mean": 0.011516705322121481, "std": 0.0}, "metabolite_26": {"mean": 0.01749196510262308, "std": 0.0}, "metabolite_13": {"mean": 0.011368905436013989, "std": 0.0}, "metabolite_32": {"mean": 0.0114225933644394, "std": 0.0}}, "charts": {"feature_importance": "feature_selection_frequency.png", "scatter_plot_train": "prediction_scatter_train.png", "scatter_plot_test": "prediction_scatter_test.png"}, "reports": ["report_83.md"]}
Standard Error (stderr)
/app/multiomics_analysis/visualization/charts.py:71: SyntaxWarning: invalid escape sequence '\p'
label=f'Mean ROC (AUC = {mean_auc:.2f} $\pm$ {std_auc:.2f})',
Starting pipeline execution for Job: 83
Loaded data: (200, 50) features, (200,) targets.
Running nested cross-validation...
Generating visualizations...
Generating reports...
Warning: weasyprint not installed. PDF report skipped.
Warning: python-docx not installed. DOCX report skipped.
Warning: excel writer dependency missing. Excel report skipped.
Analysis complete. Results saved to /app/public/ml_results/83