Wang Na, Li Longwei, Liu Jinming, Shi Jianfei, Lu Yang, Zhang Bo, Sun Yong, Li Wenzhe
Appl Opt. 2021 May 20;60(15):4282-4290. doi: 10.1364/AO.418226.
The feasibility of near-infrared spectroscopy (NIRS) combined with chemometrics for the rapid detection of the cellulose and hemicellulose contents in corn stover is discussed. Competitive adaptive reweighted sampling (CARS) and genetic simulated annealing algorithm (GSA) were combined (CARS-GSA) to select the characteristic wavelengths of cellulose and hemicellulose and to reduce the dimensionality and multicollinearity of the NIRS data. The whole spectra contained 1845 wavelength variables. After CARS-GSA optimization, the number of characteristic wavelengths of cellulose (hemicellulose) was reduced to 152 (260), accounting for 8.24% (14.09%) of all wavelengths. The coefficients of determination of the regression models for predicting the cellulose and hemicellulose contents were 0.968 and 0.996, the root mean square errors of prediction (RMSEPs) were 0.683 and 0.648, and the residual predictive deviations (RPDs) were 5.213 and 16.499, respectively. The RMSEP of the cellulose and hemicellulose regression models was 0.152 and 0.190 lower for CARS-GSA than for the full-spectrum, and the RPD was increased by 0.949 and 3.47, respectively. The results showed that the CARS-GSA model substantially reduced the number of characteristic wavelengths and significantly improved the predictive ability of the regression model.
探讨了近红外光谱(NIRS)结合化学计量学快速检测玉米秸秆中纤维素和半纤维素含量的可行性。将竞争性自适应重加权采样(CARS)和遗传模拟退火算法(GSA)相结合(CARS-GSA),以选择纤维素和半纤维素的特征波长,并降低NIRS数据的维度和多重共线性。全光谱包含1845个波长变量。经过CARS-GSA优化后,纤维素(半纤维素)的特征波长数量减少到152(260)个,占所有波长的8.24%(14.09%)。预测纤维素和半纤维素含量的回归模型的决定系数分别为0.968和0.996,预测均方根误差(RMSEP)分别为0.683和0.648,剩余预测偏差(RPD)分别为5.213和16.499。CARS-GSA的纤维素和半纤维素回归模型的RMSEP比全光谱模型分别低0.152和0.190,RPD分别提高了0.949和3.47。结果表明,CARS-GSA模型大幅减少了特征波长数量,并显著提高了回归模型的预测能力。