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基于流形降维方法和近红外光谱技术的大米储存期快速判别

[Quick Discrimination of Rice Storage Period Based on Manifold Dimensionality Reduction Methods and Near Infrared Spectroscopy Techniques].

作者信息

Lin Ping, Chen Yong-ming, Zou Zhi-yong

出版信息

Guang Pu Xue Yu Guang Pu Fen Xi. 2016 Oct;36(10):3169-73.

Abstract

This paper proposed a method for rapid identification of rice storage period based on manifold dimensionality reduction algorithms and near infrared spectroscopy (NIRS) technique. The reflection spectrum curve of old rice and new rice were obtained with a field spectroradiometer and the acquired spectral data was preprocessed with direct orthogonal signal correction method (DOSC) to filter the independent signal from the spectral data which is irrelevant with the dependent variable Y array and eliminate the influence and interference of the irrelevant information in the following chemometric analysis. The Durbin-Watson test and Run test methods were utilized to detect the nonlinearity which exists in the spectral data structure. The enhanced partial residual plot analysis method (Augmented partial residual plot) was employed to quantitative analysis of the degree of nonlinearity of the spectral data. Popular linear manifold dimensionality reduction methods including principal component analysis (PCA) method and multidimensional scaling analysis (MDS) method and popular nonlinear manifold dimensionality reduction methods including Isometries mapping method (ISOMAP), locally linear embedding (LLE) method and Laplacian Eigenmap method (LE) were used to extract the real variable from the preprocessed spectral data. Then, the intrinsic variable was taken as the input of the kernel partial least squares method (KPLS) to establish the relationship between the intrinsic variables and the storage time of rice samples. The number of experiment samples of the new rice and the old rice were 200 respectively and randomly separated into the training set with 300 samples and the test set with 100 samples. Through comparing the prediction results of the regression models which were established with different manifold reduction methods, the experiment results show that the prediction effects of the nonlinear-based models are superior to the linear-based models. Finally, the KPLS model established with 40 true variables extracted with ISOMAP approach achieved the optimal prediction effect. The prediction correlation coefficient (R2p), RMSEP (RMSEP) and relative prediction error value (RPD) were 0.917, 0.187 and 2.698, respectively. It was concluded that NIRS combined with ISOMAP-KPLS method can be successfully used to determine the storage period of rice accurately and quickly. The study provides a scientific means for rapid non-destructive detecting for rice storage period research in the future.

摘要

本文提出了一种基于流形降维算法和近红外光谱(NIRS)技术快速鉴定水稻储存期的方法。使用野外光谱辐射仪获取陈米和新米的反射光谱曲线,并采用直接正交信号校正法(DOSC)对采集到的光谱数据进行预处理,以从与因变量Y数组无关的光谱数据中滤除独立信号,并在后续化学计量分析中消除无关信息的影响和干扰。利用Durbin-Watson检验和游程检验方法检测光谱数据结构中存在的非线性。采用增强偏残差图分析法(Augmented partial residual plot)对光谱数据的非线性程度进行定量分析。使用包括主成分分析(PCA)法和多维缩放分析(MDS)法在内的常用线性流形降维方法,以及包括等距映射法(ISOMAP)、局部线性嵌入(LLE)法和拉普拉斯特征映射法(LE)在内的常用非线性流形降维方法,从预处理后的光谱数据中提取实际变量。然后,将固有变量作为核偏最小二乘法(KPLS)的输入,建立固有变量与水稻样品储存时间之间的关系。新米和陈米的实验样本数量均为200个,并随机分为300个样本的训练集和100个样本的测试集。通过比较用不同流形降维方法建立的回归模型的预测结果,实验结果表明基于非线性的模型的预测效果优于基于线性的模型。最后,用ISOMAP方法提取的40个真实变量建立的KPLS模型取得了最佳预测效果。预测相关系数(R2p)、RMSEP(RMSEP)和相对预测误差值(RPD)分别为0.917、0.187和2.698。得出结论:NIRS结合ISOMAP-KPLS方法能够成功地准确快速测定水稻的储存期。该研究为今后水稻储存期快速无损检测提供了科学手段。

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