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. 2022 Sep 27;7(40):35783–35791. doi: 10.1021/acsomega.2c03808

Table 3. Mean Change in RMSEP for Each Prediction Model by Different Preprocessing Methodsa.

 
mean change in RMSEP
preprocessing technique PLSR SVR MLP CNN gradient boost
normalization Mie baseline removal –0.3326 –0.1252 –0.0063 –0.0087 –0.0071
min-max scaling –0.0866 0.3918 0.0088 0.0144 0.0130
Z-score 0.0732 1.0256 0.0282 0.0273 0.0240
dimensionality reduction FA –0.0047 –0.3354 –0.0109 0.0249 0.0055
ICA –0.0037 –0.3356 0.0312 0.0443 0.0114
isomap 0.0229 0.6478 0.0108 0.0316 0.0239
LLE –0.0021 –0.4042 0.0305 0.0080 0.0097
NMF 0.0001 –0.4179 0.0118 0.0129 0.0080
PCA –0.0026 0.9325 –0.0050 0.0133 0.0119
a

RMSEP values are reported as dimensionless mass ratios.