Jiang Hui, Zhang Hang, Chen Quansheng, Mei Congli, Liu Guohai
School of Electrical and Information Engineering, Jiangsu University, Zhenjiang 212013, PR China.
School of Electrical and Information Engineering, Jiangsu University, Zhenjiang 212013, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2015;149:1-7. doi: 10.1016/j.saa.2015.04.024. Epub 2015 Apr 22.
The use of wavelength variable selection before partial least squares discriminant analysis (PLS-DA) for qualitative identification of solid state fermentation degree by FT-NIR spectroscopy technique was investigated in this study. Two wavelength variable selection methods including competitive adaptive reweighted sampling (CARS) and stability competitive adaptive reweighted sampling (SCARS) were employed to select the important wavelengths. PLS-DA was applied to calibrate identified model using selected wavelength variables by CARS and SCARS for identification of solid state fermentation degree. Experimental results showed that the number of selected wavelength variables by CARS and SCARS were 58 and 47, respectively, from the 1557 original wavelength variables. Compared with the results of full-spectrum PLS-DA, the two wavelength variable selection methods both could enhance the performance of identified models. Meanwhile, compared with CARS-PLS-DA model, the SCARS-PLS-DA model achieved better results with the identification rate of 91.43% in the validation process. The overall results sufficiently demonstrate the PLS-DA model constructed using selected wavelength variables by a proper wavelength variable method can be more accurate identification of solid state fermentation degree.
本研究考察了在偏最小二乘判别分析(PLS-DA)之前使用波长变量选择,通过傅里叶变换近红外光谱技术对固态发酵程度进行定性鉴定。采用竞争自适应重加权采样(CARS)和稳定性竞争自适应重加权采样(SCARS)两种波长变量选择方法来选择重要波长。利用CARS和SCARS选择的波长变量,应用PLS-DA校准识别模型以鉴定固态发酵程度。实验结果表明,从1557个原始波长变量中,CARS和SCARS选择的波长变量数量分别为58个和47个。与全光谱PLS-DA的结果相比,两种波长变量选择方法均能提高识别模型的性能。同时,与CARS-PLS-DA模型相比,SCARS-PLS-DA模型在验证过程中取得了更好的结果,识别率为91.43%。总体结果充分表明,使用适当波长变量方法选择波长变量构建的PLS-DA模型能够更准确地鉴定固态发酵程度。