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Dose detection of radiated rice by infrared spectroscopy and chemometrics

机译:红外光谱和化学计量学检测辐射大米的剂量

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Infrared spectroscopy based on sensitive wavelengths (SWs) and chemometrics was proposed to discriminate the nine different radiation doses (0, 250, 500, 750, 1000, 1500, 2000, 2500, and 3000 Gy) of rice. Samples (n = 16 each dose) were selected randomly for the calibration set, and the remaining 36 samples (n = 4 each dose) were selected for the prediction set. Partial least-squares (PLS) analysis and least-squares-support vector machine (LS-SVM) were implemented for calibration models. PLS analysis was implemented for calibration models with different wavelength bands including near-infrared (NIR) regions and mid-infrared (MIR) regions. The best PLS models were achieved in the MIR (400-4000 cm(-1)) region. Furthermore, different latent variables (5-9 LVs) were used as inputs of LS-SVM to develop the LV-LS-SVM models with a grid search technique and radial basis function (RBF) kernel. The optimal models were achieved with six LVs, and they outperformed PLS models. Moreover, independent component analysis (ICA) was executed to select several SWs based on loading weights. The optimal LS-SVM model was achieved with SWs (756, 895,1140, and 2980 cm(-1)) selected by ICA and had better performance than PLS and LV-LS-SVM with the parameters of correlation coefficient (r), root-mean-square error of prediction, and bias of 0.996, 80.260, and 5.172 x 10(-4), respectively. The overall results indicted that the ICA was an effective way for the selection of SWs, and infrared spectroscopy combined with LS-SVM models had the capability to predict the different radiation doses of rice.
机译:提出了基于敏感波长(SWs)和化学计量学的红外光谱法来区分水稻的九种不同辐射剂量(0、250、500、750、1000、1500、2000、2500和3000 Gy)。随机选择样本(每剂量n = 16)作为校准集,其余36个样本(每剂量n = 4)作为预测集。偏最小二乘(PLS)分析和最小二乘支持向量机(LS-SVM)已实现用于校准模型。针对具有不同波段(包括近红外(NIR)和中红外(MIR))的校准模型实施PLS分析。在MIR(400-4000 cm(-1))区域获得了最佳的PLS模型。此外,将不同的潜在变量(5-9个LV)用作LS-SVM的输入,以使用网格搜索技术和径向基函数(RBF)内核来开发LV-LS-SVM模型。通过六个LV实现了最佳模型,并且其性能优于PLS模型。此外,还执行了独立成分分析(ICA)以根据负载权重选择多个SW。最佳LS-SVM模型是通过ICA选择的SW(756、895、1140和2980 cm(-1))获得的,并且在相关系数(r)的参数下,其性能优于PLS和LV-LS-SVM,预测的均方根误差和偏差分别为0.996、80.260和5.172 x 10(-4)。总体结果表明,ICA是选择SW的有效方法,红外光谱结合LS-SVM模型可以预测水稻的不同辐射剂量。

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