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9a67fbe | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 | Experiment: polyatomic+polyatomic on boilingpoint
FOLD 1/5
RMSE: 51.6539, MAE: 33.6179, R2: 0.6318
FOLD 2/5
RMSE: 48.4909, MAE: 33.5824, R2: 0.6860
FOLD 3/5
RMSE: 50.8034, MAE: 34.7265, R2: 0.6569
FOLD 4/5
RMSE: 49.6399, MAE: 34.2908, R2: 0.6607
FOLD 5/5
RMSE: 52.4927, MAE: 36.6232, R2: 0.6316
====== K-FOLD SUMMARY ======
RMSE: 50.5846 [49.4130, 51.8170]
MAE: 34.5713 [33.7383, 35.6440]
R2: 0.6534 [0.6368, 0.6701]
★ Using fold 2 model for test inference
RMSE: 48.2116, MAE: 33.3949, R2: 0.6859
====== HELD-OUT TEST METRICS ======
{'rmse': 48.211554672155614, 'mae': 33.394927978515625, 'r2': 0.6859204173088074}
Test RMSE: 48.1815 (95 % CI: 42.9072–53.9047)
Test MAE : 33.3759 (95 % CI: 29.6556–37.1169)
Test R² : 0.6824 (95 % CI: 0.6007–0.7504)
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