Diverse local calibration approaches for chemometric predictive analysis of large near-infrared spectroscopy (NIRS) multi-product datasets

Abstract

This study aimed to assess the predictive accuracy of Near-Infrared Spectroscopy (NIRS) across a large multi-product library, employing novel local calibration methodologies. Three local strategies were examined: LOCAL Algorithm, Locally Weighted Regression predicted on k-nearest neighbor selection (kNN-LWPLSR), along with a newly proposed algorithm within this study called Hybrid Local. These strategies were applied to an extensive multi-product dataset. When compared with Global PLS models, the results exhibited significant reductions in RMSEP values for all local strategies. Particularly, the kNN-LWPLSR demonstrated proficient prediction for the constituents of ADF and DM. The newly proposed method [Hybrid Local] exhibits comparable performance to the LOCAL Algorithm; however, it notably reduces the prediction time by half compared to the latter, representing a significant advancement for the practical implementation of NIRS technology within industrial processing scenarios.