Table 3 Predictive performance of machine learning models with variable selection algorithms for peroxide and iodine value prediction in crude palm oil

From: Machine learning-assisted Raman spectroscopy for non-destructive analysis of crude palm oil quality

Parameter

Machine Learning Models

Number of variables

Calibration set n = 133

Prediction set n = 67

RPD

Rc

RMSEC

Rp

RMSEP

Peroxide value (meq O2/kg)

SVM

1024

0.9796

0.3130

0.9439

0.8715

2.1877

CARS- SVM

104

0.9799

0.2998

0.9584

0.8146

2.6223

UVE- SVM

66

0.9801

0.3000

0.9736

0.7596

2.7392

GA- SVM

148

0.9761

0.3272

0.9065

0.6531

3.0566

RF

1024

0.9833

0.1459

0.9802

0.2735

6.2240

CARS-RF

104

0.9916

0.1928

0.9599

0.4252

5.0331

UVE-RF

66

0.9868

0.2418

0.9589

0.4304

4.9724

GA-RF

148

0.9959

0.1346

0.9831

0.2765

7.7397

Iodine value (g I2/100 g)

SVM

1024

0.9807

0.3615

0.9559

0.9236

2.3871

CARS- SVM

91

0.9789

0.3306

0.9424

0.9784

2.4697

UVE- SVM

45

0.9598

0.4545

0.9125

0.6965

3.4467

GA- SVM

140

0.9787

0.3367

0.9030

0.7103

2.9234

RF

1024

0.9887

0.2393

0.9725

0.3748

6.0727

CARS-RF

91

0.9888

0.2395

0.9475

0.5179

4.3962

UVE-RF

45

0.9842

0.2842

0.9678

0.4058

5.6106

GA-RF

140

0.9947

0.1638

0.9752

0.3561

6.3927

  1. n number of samples, Rc Correlation Coefficient for the calibration set, RMSEC root mean square error of cross-validation Rp correlation coefficient for the predictionn set, RMSEP root mean square error of prediction, RPD residual predicted deviation, SVM support vector machine, CARS-SVM competitive adaptive reweighted sampling - support vector machine, UVE-SVM uninformative variable elimination - support vector machine, GA-SVM genetic algorithm - support vector machine, RF random forest, CARS-RF competitive adaptive reweighted sampling - random forest, UVE-RF uninformative variable elimination - random forest, GA-RF genetic algorithm - random forest.