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Equidistant combination wavelength screening and step-by-step phase-out method for the near-infrared spectroscopic analysis of serum urea nitrogen
摘要： We applied near-infrared (NIR) spectroscopy with chemometrics for the rapid and reagent-free analysis of serum urea nitrogen (SUN). The modeling is based on the average effect of multiple sample partitions to achieve parameter selection with stability. A multiparameter optimization platform with Norris derivative filter–partial least squares (Norris-PLS) was developed to select the most suitable mode (d = 2, s = 33, g = 15). Using equidistant combination PLS (EC-PLS) with four parameters (initial wavelength I, number of wavelengths N, number of wavelength gaps G and latent variables LV), we performed wavelength screening after eliminating high-absorption wavebands. The optimal EC-PLS parameters were I = 1228 nm, N = 26, G = 16 and LV = 12. The root-mean-square error (SEP), correlation coefficient (RP) for prediction and ratio of performance-to-deviation (RPD) for validation were 1.03 mmol L?1, 0.992 and 7.6, respectively. We proposed the wavelength step-by-step phase-out PLS (WSP-PLS) to remove redundant wavelengths in the top 100 EC-PLS models with improved prediction performance. The combination of 19 wavelengths was identified as the optimal model for SUN. The SEP, RP and RPD in validation were 1.01 mmol L?1, 0.992 and 7.7, respectively. The prediction effect and wavelength complexity were better than those of EC-PLS. Our results showed that NIR spectroscopy combined with the EC-PLS and WSP-PLS methods enabled the high-precision analysis of SUN. WSP-PLS is a secondary optimization method that can further optimize any wavelength model obtained through other continuous or discrete strategies to establish a simple and better model.
关键词： wavelength step-by-step phase-out,near-infrared spectroscopic analysis,equidistant combination wavelength screening,Serum urea nitrogen,Norris derivative filter
更新于2025-09-19 17:13:59
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[IEEE 2019 10th Workshop on Hyperspectral Imaging and Signal Processing: Evolution in Remote Sensing (WHISPERS) - Amsterdam, Netherlands (2019.9.24-2019.9.26)] 2019 10th Workshop on Hyperspectral Imaging and Signal Processing: Evolution in Remote Sensing (WHISPERS) - Closed-Loop Moving Windows Wavelength Selection Method With Application To Near-Infrared Spectroscopic Analysis
摘要： Wavelength selection plays a very important role in near-infrared (NIR) spectroscopy, which has always been an important research direction. Based on the reverse-deletion waveband idea, the closed-loop moving window-partial least squares (closed-loop MW-PLS) method was proposed, which can eliminate interference wavelengths and enable flexible multi-band wavelength selection. NIR analysis of soil organic matter was taken as an example to evaluate the performance of closed-loop MW-PLS. And the MW-PLS was also used for comparison. The proposed algorithm traversed all the sub-bands of the original range to perform forward and backward optimization. The forward optimization was just the original MW-PLS. Therefore, the closed-loop MW-PLS completely covered the MW-PLS. The results of soil organic matter indicated that the close-loop MW-PLS was strictly superior to original MW-PLS, and the method extension was meaningful and had no increase in operational complexity. We believe that the closed-loop MW-PLS method will have a wider application.
关键词： soil,organic matter,closed-loop moving window-partial least squares,wavelength model optimization,Near-infrared spectroscopic analysis
更新于2025-09-12 10:27:22