傅里叶变换红外光谱指纹图谱鉴别艾绒等级  

Identification of Moxa Grade by Fourier Transform Infrared Spectroscopy Fingerprint

作　　者：朱丽芳 章恺 李超 李入林[3] ZHU Lifang;ZHANG Kai;LI Chao;LI Rulin(Nanyang Vocational College,Nanyang 473000,China;Nanyang Eucommia Ulmoides Gum Extraction Engineering Technology Research Center,Nanyang 473000,China;Nanyang Institute of Technology,Nanyang 473000,China)

机构地区：[1]南阳职业学院,南阳473000 [2]南阳市杜仲胶提取工程技术研究中心,南阳473000 [3]南阳理工学院,南阳473000

出　　处：《理化检验（化学分册）》2024年第9期865-871,共7页Physical Testing and Chemical Analysis(Part B:Chemical Analysis)

摘　　要：提出了傅里叶变换红外光谱指纹图谱鉴别艾绒等级的方法,通过8种光谱预处理方法(去噪处理、高斯滤波、多元散射校正、标准正态变换、一阶导数+Savitzky-Golay(SG)平滑、二阶导数+SG平滑、一阶导数+Norris Gap、二阶导数+Norris Gap)和5种模式识别方法[反向传播神经网络(BP-NN)算法、遗传优化支持向量机(SVM-ga)、粒子群优化支持向量机(SVM-pso)、随机森林(RF)算法、K-最近邻(KNN)算法]的结合对比,得到鉴别艾绒等级的最佳模型。结果表明,艾绒的指纹图谱中有11个共有峰,对其进行主成分分析,得到9个主成分,累计方差贡献率达到99.67%。标准正态变换结合SVM-pso算法的鉴别效果最好,其训练集的鉴别正确率为100%,测试集的鉴别正确率为93.3%。A method for identification of moxa grade by Fourier transform infrared spectroscopy fingerprint was proposed,and the optimal model for identifying moxa grade was obtained by comparison of combination of 8 spectral preprocessing methods [denoising,Gaussian filtering,multivariate scattering correction,standard normal transformation,first derivative + SavitzkyGolay(SG) smoothing,second derivative + SG smoothing,first derivative + Norris Gap,and second derivative + Norris Gap]and 5 pattern recognition methods [back propagation neural network(BP-NN) algorithm,genetic optimization support vector machine(SVM-ga),particle swarm optimization support vector machine(SVM-pso),random forest(RF) algorithm,and K-nearest neighbor(KNN) algorithm].As shown by the results,there were 11 common peaks in maxo fingerprint.Nine principal components were obtained by principal component analysis,and the cumulative variance contribution rate reached 99.67%.The combination of standard normal transformation and SVM-pso algorithm had the best discrimination effect,with the discrimination accuracy of 100% in the training set and 93.3% in the test set.

关 键 词：傅里叶变换红外光谱法 指纹图谱 艾绒等级鉴别 模式识别方法 

分 类 号：O657.33[理学—分析化学]