Comparison of Bayesian regression models and partial least squares regression for the development of infrared prediction equations.

The objective of this study was to compare the prediction accuracy of 92 infrared prediction equations obtained by different statistical approaches. The predicted traits included fatty acid composition (n = 1,040); detailed protein composition (n = 1,137); lactoferrin (n = 558); pH and coagulation properties (n = 1,296); curd yield and composition obtained by a micro-cheese making procedure (n = 1,177); and Ca, P, Mg, and K contents (n = 689). The statistical methods used to develop the prediction equations were partial least squares regression (PLSR), Bayesian ridge regression, Bayes A, Bayes B, Bayes C, and Bayesian least absolute shrinkage and selection operator. Model performances were assessed, for each trait and model, in training and validation sets over 10 replicates. In validation sets, Bayesian regression models performed significantly better than PLSR for the prediction of 33 out of 92 traits, especially fatty acids, whereas they yielded a significantly lower prediction accuracy than PLSR in the prediction of 8 traits: the percentage of C18:1n-7 trans-9 in fat; the content of unglycosylated κ-casein and its percentage in protein; the content of α-lactalbumin; the percentage of α-casein in protein; and the contents of Ca, P, and Mg. Even though Bayesian methods produced a significant enhancement of model accuracy in many traits compared with PLSR, most variations in the coefficient of determination in validation sets were smaller than 1 percentage point. Over traits, the highest predictive ability was obtained by Bayes C even though most of the significant differences in accuracy between Bayesian regression models were negligible.