Xia Zhengyan, Zhang Chu, Weng Haiyong, Nie Pengcheng, He Yong
College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou 310058, China.
State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310027, China.
Int J Anal Chem. 2017;2017:6018769. doi: 10.1155/2017/6018769. Epub 2017 Aug 27.
Hyperspectral imaging (HSI) technology has increasingly been applied as an analytical tool in fields of agricultural, food, and Traditional Chinese Medicine over the past few years. The HSI spectrum of a sample is typically achieved by a spectroradiometer at hundreds of wavelengths. In recent years, considerable effort has been made towards identifying wavelengths (variables) that contribute useful information. Wavelengths selection is a critical step in data analysis for Raman, NIRS, or HSI spectroscopy. In this study, the performances of 10 different wavelength selection methods for the discrimination of of different origin were compared. The wavelength selection algorithms tested include successive projections algorithm (SPA), loading weights (LW), regression coefficients (RC), uninformative variable elimination (UVE), UVE-SPA, competitive adaptive reweighted sampling (CARS), interval partial least squares regression (iPLS), backward iPLS (BiPLS), forward iPLS (FiPLS), and genetic algorithms (GA-PLS). One linear technique (partial least squares-discriminant analysis) was established for the evaluation of identification. And a nonlinear calibration model, support vector machine (SVM), was also provided for comparison. The results indicate that wavelengths selection methods are tools to identify more concise and effective spectral data and play important roles in the multivariate analysis, which can be used for subsequent modeling analysis.
在过去几年中,高光谱成像(HSI)技术越来越多地被用作农业、食品和中药领域的分析工具。样本的HSI光谱通常由光谱辐射计在数百个波长下获得。近年来,人们在识别能提供有用信息的波长(变量)方面付出了巨大努力。波长选择是拉曼光谱、近红外光谱或HSI光谱数据分析中的关键步骤。在本研究中,比较了10种不同波长选择方法对不同产地鉴别效果的性能。所测试的波长选择算法包括连续投影算法(SPA)、载荷权重(LW)、回归系数(RC)、无信息变量消除(UVE)、UVE-SPA、竞争性自适应重加权采样(CARS)、间隔偏最小二乘回归(iPLS)、反向iPLS(BiPLS)、正向iPLS(FiPLS)和遗传算法(GA-PLS)。建立了一种线性技术(偏最小二乘判别分析)用于鉴定评估。还提供了一个非线性校准模型——支持向量机(SVM)用于比较。结果表明,波长选择方法是识别更简洁有效光谱数据的工具,在多变量分析中发挥着重要作用,可用于后续的建模分析。