Table 1 MAE and MEDAE results for the top 4 performing regressors (mean ± standard error)
From: Probabilistic metabolite annotation using retention time prediction and meta-learned projections
Blender | DNN | DKL | XGB | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
Features | Metric | desc+fgp | desc | fgp | desc+fgp | desc | fgp | desc+fgp | desc | fgp | desc+fgp |
All | MAE (s) | \(39.98\pm 1.49\) | \(42.35\pm 1.13\) | \(39.23\pm 1.2\) | \(39.54\pm 0.97\) | \(49.27\pm 2.09\) | \(45.60\pm 2.37\) | \(44.49\pm 1.11\) | \(50.24\pm 0.99\) | \(48.13\pm 0.63\) | \(48.72\pm 0.90\) |
MEDAE (s) | \(18.63\pm 1.24\) | \(20.02\pm 0.73\) | \(17.22\pm 0.89\) | \(18.00\pm 0.44\) | \(26.73\pm 2.00\) | \(23.25\pm 1.87\) | \(22.51\pm 0.73\) | \(27.18\pm 0.71\) | \(25.64\pm 0.56\) | \(25.32\pm 0.98\) | |
Non-retained | MAE (s) | \(239.02\pm 8.68\) | \(240.30\pm 8.61\) | \(235.46\pm 15.85\) | \(228.11\pm 5.41\) | \(220.07\pm 38.77\) | \(228.94\pm 6.10\) | \(216.61\pm 21.06\) | \(243.97\pm 7.14\) | \(242.19\pm 6.57\) | \(244.17\pm 7.89\) |
MEDAE (s) | \(87.18\pm 137.45\) | \(106.45\pm 180.01\) | \(25.10\pm 6.89\) | \(17.58\pm 3.80\) | \(128.53\pm 167.60\) | \(15.18\pm 5.86\) | \(33.40\pm 44.41\) | \(129.74\pm 117.80\) | \(134.06\pm 108.68\) | \(126.17\pm 97.29\) | |
Retained | MAE (s) | \(34.73\pm 1.14\) | \(37.11\pm 0.67\) | \(34.06\pm 0.86\) | \(34.56\pm 0.67\) | \(44.80\pm 2.57\) | \(40.77\pm 2.39\) | \(39.85\pm 1.50\) | \(45.14\pm 0.93\) | \(43.01\pm 0.65\) | \(43.57\pm 0.94\) |
MEDAE (s) | \(18.42\pm 1.37\) | \(19.99\pm 0.72\) | \(17.21\pm 0.87\) | \(18.01\pm 0.43\) | \(26.79\pm 1.99\) | \(23.29\pm 1.86\) | \(22.58\pm 0.76\) | \(26.90\pm 0.58\) | \(25.35\pm 0.56\) | \(25.04\pm 0.79\) | |