In vitro glucose measurement from NIR and MIR spectroscopy: comprehensive benchmark of machine learning and filtering chemometrics

The quantitative analysis of glucose using spectroscopy is a topic of great significance and interest in science and industry. One conundrum in this area is deploying appropriate preprocessing and regression tools. To contribute to addressing this challenge, in this study, we conducted a comprehensive and novel comparative analysis of various machine learning and preprocessing filtering techniques applied to near-infrared, mid-infrared, and a combination of near-infrared and mid-infrared spectroscopy for glucose assay. Our objective was to evaluate the effectiveness of these techniques in accurately predicting glucose levels and to determine which approach was most optimal. Our investigation involved the acquisition of spectral data from samples of glucose solutions using the three aforementioned spectroscopy techniques. The data was subjected to several preprocessing filtering methods, including convolutional moving average, Savitzky-Golay, multiplicative scatter correction, and normalisation. We then applied representative machine learning algorithms from three categories: linear modelling, traditional nonlinear modelling, and artificial neural networks. The evaluation results revealed that linear models exhibited higher predictive accuracy than nonlinear models, whereas artificial neural network models demonstrated comparable performance. Additionally, the comparative analysis of various filtering methods demonstrated that the convolutional moving average and Savitzky-Golay filters yielded the most precise outcomes overall. In conclusion, our study provides valuable insights into the efficacy of different machine learning techniques for glucose measurement and highlights the importance of applying appropriate filtering methods in enhancing predictive accuracy. These findings have important implications for the development of new and improved glucose quantification technologies.