Department of Electronic and Electrical Engineering, University of Sheffield, UK.
Department of Oncology and Metabolism, University of Sheffield, UK.
Talanta. 2022 Jun 1;243:123379. doi: 10.1016/j.talanta.2022.123379. Epub 2022 Mar 15.
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.
本文提出了一种基于信号碎片化的特征向量生成方法,并配备了模型解释模块,以增强从吸收光谱信号中定量葡萄糖的能力。为此,我们仔细研究了来自不同葡萄糖浓度实验样本的近红外(NIR)和中红外(MIR)光谱。首先,将给定的光谱最优地分割成几个片段。然后,基础学习者单独研究获得的片段,以从每个片段估计参考葡萄糖浓度。随后,将所有片段的估计结果堆叠起来,为原始光谱形成一个特征向量。之后,元学习者研究生成的特征向量,以得出与整个原始光谱相关的参考葡萄糖浓度的最终估计值。在一组情况下,包括仅对 NIR 或 MIR 信号进行建模以及在不同融合水平下对 NIR 和 MIR 信号进行组合,对所提出方法的可靠性进行了审查。此外,还评估了所提出方法与光谱学中基础预处理技术的兼容性。所得结果证实了在所有考虑的情况下,将设计的特征向量生成器纳入标准基准建模程序的实用性。最后,为了提高透明度和采用度,利用 SHapley additive exPlanations(SHAP)来解释定量结果。