基于线性判别分析的FTIR光谱Savitzky-Golay参数优化

D. K. Agustika, Muhammad Rojib Nawawi, R. Prasetyowati, S. Hidayat, D. Iliescu, M. Leeson
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引用次数: 0

摘要

Savitzky-Golay (SG)平滑技术已成功地应用于光谱或色谱中的噪声滤波。本研究将SG平滑作为预处理方法,对辣椒黄卷叶病毒(PYLCV)感染植株和未检测植株的傅里叶变换红外(FTIR)光谱进行了分析。SG平滑有两个参数可以优化以达到最佳效果,即多项式阶数和窗口长度。对于前者,0阶,2阶,4阶,6阶和8阶,而后者使用从多项式阶+ 1到59的长度。采用线性判别分析(LDA)对参数进行优化。结果表明,使用零阶和二阶多项式的LDA分类效果最好。对于零阶,窗口长度在9到25的范围内可以达到100%的分类结果,而二阶多项式窗口长度在29到41的范围内可以达到相同的结果。从两个多项式阶出发,对SG的均方误差(MSE)进行平滑处理,计算出原始信号。在此过程中,窗口长度为9的零阶SG平滑曲线产生了对样本进行分类的最佳参数组合。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Savitzky-Golay Parameter Optimization by using Linear Discriminant Analysis for FTIR Spectra
The Savitzky-Golay (SG) smoothing technique has been successfully applied to filter the noise in spectra or chromatograms. In this research, SG smoothing was applied as a pre-processing method to analyze Fourier Transform Infrared (FTIR) spectra of chilli plants infected by Pepper Yellow Leaf Curl Virus (PYLCV) and PYLCV-undetected plants. SG smoothing has two parameters that can be optimized to achieve the best result, namely the polynomial order and the window length. For the former, orders of zero, two, four, six and eight whilst the latter used lengths from the polynomial order + 1 to 59. Linear Discriminant Analysis (LDA) was used to optimize the parameters. The results showed that the best LDA classification result was achieved using the zeroth and second order polynomials. For the zeroth order, a 100% classification result was achieved by window lengths in the range nine to twenty-five, while the second order polynomial window lengths to achieve the same results were from twenty-nine to forty-one. From the two polynomial orders, the mean squared error (MSE) of the SG smoothed, and the original signal was calculated. From that process, the zeroth order SG smoothing curve with a window length of nine produced the best parameter combination to classify the samples.
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