将SG平滑参数和PLS因子同时优化应用于土壤有机质近红外光谱分析

Huazhou Chen, T. Pan, Jiemei Chen, Jun Xie, Shuyi Li, Fangbai Li
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引用次数: 0

摘要

快速简便的近红外光谱土壤有机质分析方法在精准农业中具有重要意义。本文采用近红外光谱技术、偏最小二乘(PLS)回归和Savitzky-Golay (SG)平滑法建立了土壤有机质快速测定方法和分析模型。根据最优单波长模型的预测效果,划分了校准集和预测集。通过扩展光滑点的个数和多项式的次数,计算出483种光滑模式。分别建立了483种SG平滑模式和1-30 PLS因子组合所对应的PLS模型。最优平滑参数为二阶导数平滑、2度或3度多项式、61个平滑点,最优PLS因子、预测均方根误差(RMSEP)和预测相关系数(RP)分别为19、0.197(%)和0.925,明显优于不进行SG平滑的直接PLS模型和25个平滑点以内的最优SG平滑模型(原始平滑方法)。这表明SG平滑模式的扩展以及SG平滑参数和PLS因子的大规模同步优化选择都是非常必要的,并且可以有效地应用于近红外光谱分析的模型优化。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Simultaneous Optimization of SG Smoothing Parameters and PLS Factor Was Applied to NIRS Analysis of Soil Organic Matter
The rapid and simple analytical method for soil organic matter by near infrared spectroscopy (NIRS) is very significant in precision agriculture. In this paper, the rapid determination method and the analysis model of soil organic matter were established by using the NIRS technology, partial least squares (PLS) regression and Savitzky-Golay (SG) smoothing method. Based on the prediction effect of the optimal single wavelength model, calibration set and prediction set were divided. By extending the number of smoothing points and the degree of polynomial, 483 smooth modes were calculated. The PLS models corresponding to all combinations of 483 SG smoothing modes and 1-30 PLS factor were established respectively. The optimal smoothing parameters were the second order derivative smoothing, 2 or 3 degree polynomial, 61 smoothing points, the optimal PLS factor, root mean squared error of predication (RMSEP) and correlation coefficient of predication (RP) were 19, 0.197 (%) and 0.925 respectively, which was obviously superior to the direct PLS model without SG smoothing and the optimal SG smoothing model within 25 smoothing points (the original smoothing method). This demonstrates that the extending of SG smoothing modes and large-scale simultaneous optimization selection of SG smoothing parameters and PLS factor was all very necessary, and can be effectively applied to the model optimization of NIRS analysis.
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