Table 2 Cross-validation with the blind-tested samples and the respective accuracy, sensitivity, specificity, precision, negative predictive value, false alarm, and F1 score. Comparison of drift effect by excluding and including sugar (glucose, fructose, and sucrose) adulterants from the same batch of blind-tested samples in the training dataset. A comparison analysis by including and excluding other adulterants not excluded from the training dataset was also performed. Hydrogen peroxide (H2O2), sodium hydroxide (NaOH).

From: Non-targeted detection of food adulteration using an ensemble machine-learning model

 

Testing of adulterant(s) blinded to training

Does not consider drift effect

Considers drift effect

Training with sugar adulterants, testing of normal raw milk samples from the cross-validation batch

Training with sugar and other adulterants, testing of normal raw milk samples from the cross-validation batch

H2O2

NaOH

salt

H2O2, NaOH

H2O2, salt

NaOH, salt

H2O2, NaOH, salt

H2O2

NaOH

salt

H2O2, NaOH

H2O2, salt

NaOH, salt

H2O2, NaOH, salt

H2O2

NaOH

salt

H2O2, NaOH

H2O2, salt

NaOH, salt

Accuracy

0.5120

0.5280

0.5120

0.4714

0.4571

0.4714

0.4258

Undetermined

0.8625

0.8875

0.8316

0.7895

0.9053

0.8182

0.8125

0.8625

0.8500

0.8316

0.8211

0.8947

Sensitivity

0.0500

0.0667

0.0500

0.0533

0.0400

0.0533

0.0444

Undetermined

1.0000

0.9333

0.7333

0.6000

0.9667

0.7333

0.8667

1.0000

1.0000

0.8667

0.7000

1.0000

Specificity

0.9385

0.9538

0.9385

0.9538

0.9385

0.9538

0.9538

Undetermined

0.8308

0.8769

0.8769

0.8769

0.8769

0.8769

0.8000

0.8308

0.8154

0.8154

0.8769

0.8462

Precision

0.4286

0.5714

0.4286

0.5714

0.4286

0.5714

0.5714

Undetermined

0.5769

0.6364

0.7333

0.6923

0.7838

0.8049

0.5000

0.5769

0.5556

0.6842

0.7241

0.7500

Negative predictive value

0.5169

0.5254

0.5169

0.4662

0.4586

0.4662

0.4189

Undetermined

1.0000

0.9828

0.8769

0.8261

0.9828

0.8261

0.9630

1.0000

1.0000

0.9298

0.8636

1.0000

False alarm

0.0615

0.0462

0.0615

0.0462

0.0615

0.0462

0.0462

Undetermined

0.1692

0.1231

0.1231

0.1231

0.1231

0.1231

0.2000

0.1692

0.1846

0.1846

0.1231

0.1538

F1 score

0.0896

0.1194

0.0896

0.0976

0.0732

0.0976

0.0825

Undetermined

0.7317

0.7568

0.7333

0.6429

0.8657

0.7674

0.6341

0.7317

0.7143

0.7647

0.7119

0.8571