Comparison of wavelength selection methods for in-vitro estimation of lactate: a new unconstrained, genetic algorithm-based wavelength selection

Biochemical and medical literature establish lactate as a fundamental biomarker that can shed light on the energy consumption dynamics of the body at cellular and physiological levels. It is therefore, not surprising that it has been linked to many critical conditions ranging from the morbidity and mortality of critically ill patients to the diagnosis and prognosis of acute ischemic stroke, septic shock, lung injuries, insulin resistance in diabetic patients, and cancer. Currently, the gold standard for the measurement of lactate requires blood sampling. The invasive and costly nature of this procedure severely limits its application outside intensive care units. Optical sensors can provide a non-invasive, inexpensive, easy-to-use, continuous alternative to blood sampling. Previous efforts to achieve this have shown significant potential, but have been inconclusive. A measure that has been previously overlooked in this context, is the use of variable selection methods to identify regions of the optical spectrum that are most sensitive to and representative of the concentration of lactate. In this study, several wavelength selection methods are investigated and a new genetic algorithm-based wavelength selection method is proposed. This study shows that the development of more accurate and parsimonious models for optical estimation of lactate is possible. Unlike many existing methods, the proposed method does not impose additional locality constraints on the spectral features and therefore helps provide a much more granular interpretation of wavelength importance

Local Strategy Combined with a Wavelength Selection Method for Multivariate Calibration

One of the essential factors influencing the prediction accuracy of multivariate calibration models is the quality of the calibration data. A local regression strategy, together with a wavelength selection approach, is proposed to build the multivariate calibration models based on partial least squares regression. The local algorithm is applied to create a calibration set of spectra similar to the spectrum of an unknown sample; the synthetic degree of grey relation coefficient is used to evaluate the similarity. A wavelength selection method based on simple-to-use interactive self-modeling mixture analysis minimizes the influence of noisy variables, and the most informative variables of the most similar samples are selected to build the multivariate calibration model based on partial least squares regression. To validate the performance of the proposed method, ultraviolet-visible absorbance spectra of mixed solutions of food coloring analytes in a concentration range of 20–200 µg/mL is measured. Experimental results show that the proposed method can not only enhance the prediction accuracy of the calibration model, but also greatly reduce its complexity