Signal fragmentation based feature vector generation in a model agnostic framework with application to glucose quantification using absorption spectroscopy

• Published in: Talanta (Oxford) 2022-06, Vol.243, p.123379-123379, Article 123379
• Main Authors: Khadem, Heydar, Nemat, Hoda, Elliott, Jackie, Benaissa, Mohammed
• Format: Article
• Language: English
• Subjects: Glucose; Glucose quantification; Machine learning; Mid-infrared spectroscopy; Near-infrared spectroscopy; Reproducibility of Results; SHAP; Spectroscopy, Near-Infrared - methods
• ISSN: 0039-9140; 1873-3573
• DOI: 10.1016/j.talanta.2022.123379

This paper proposes feature vector generation based on signal fragmentation equipped with a model interpretation module to enhance glucose quantification from absorption spectroscopy signals. For this purpose, near-infrared (NIR) and mid-infrared (MIR) spectra collected from experimental samples of varying glucose concentrations are scrutinised. Initially, a given spectrum is optimally dissected into several fragments. A base-learner then studies the obtained fragments individually to estimate the reference glucose concentration from each fragment. Subsequently, the resultant estimates from all fragments are stacked, forming a feature vector for the original spectrum. Afterwards, a meta-learner studies the generated feature vector to yield a final estimation of the reference glucose concentration pertaining to the entire original spectrum. The reliability of the proposed approach is reviewed under a set of circumstances encompassing modelling upon NIR or MIR signals alone and combinations of NIR and MIR signals at different fusion levels. In addition, the compatibility of the proposed approach with an underlying preprocessing technique in spectroscopy is assessed. The results obtained substantiate the utility of incorporating the designed feature vector generator into standard benchmarked modelling procedures under all considered scenarios. Finally, to promote the transparency and adoption of the propositions, SHapley additive exPlanations (SHAP) is leveraged to interpret the quantification outcomes. [Display omitted] •Spectra from samples of varying glucose levels are cut into several fragments.•The reference glucose level for each signal is estimated based on its fragments.•Fragmentary estimations of each signal are stacked, forming a feature vector.•The generated feature vector is studied to make a final estimation.•The analysis is integrated with a model interpretation framework.