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蜻蜓算法优选小麦粉蛋白质近红外建模校正集OA北大核心CSTPCD

Calibration Set Optimization by Dragonfly Algorithm for Near-Infrared Modeling of Wheat Flour Protein Content

中文摘要英文摘要

为优选小麦粉蛋白质近红外建模校正集,在传统K/S(Kennard/Stone)方法划分的初始校正集基础上采用二进制蜻蜓算法(binary dragonfly algorithm,BDA)挑选代表性样品,建立小麦粉蛋白质含量偏最小二乘回归(partial least square regression,PLSR)模型,并用预测集检验评估模型的稳定性及预测性能.结果表明:BDA挑选出的最佳校正集样品数量为30个,所建模型的预测决定系数(R2p)为0.956 4,预测标准偏差(root mean square errors of prediction,RMSEP)为0.278 1,与传统K/S划分的100个初始校正集的建模效果(R2p:0.938 8,RMSEP:0.329 4)相比,R2p提高了 1.87%,RMSEP降低了 15.57%.10次BDA实验优选出校正集的平均数量为30.2个,且所建10个模型蛋白质含量预测效果均优于初始校正集建模.综上,BDA算法可以优选出数量少、具有代表性的校正集样品,建立的小麦粉蛋白质PLSR模型稳定性好、预测精度高,可为小麦粉品质近红外检测分析提供一种高效的校正集优选方法.

In order to optimize the calibration set for near-infrared modeling of the protein content in wheat flour,the binary dragonfly algorithm(BDA)was used to select representative samples from the primary calibration set divided by the traditional Kennard/Stone(K/S)method.Based on the representative samples,a partial least square regression(PLSR)model for estimating the protein content in wheat flour was established,and the prediction set was employed to evaluate the stability and prediction performance of the model.The results indicated that an optimal calibration set with 30 samples was selected finally by BDA,and the proposed model exhibited a coefficient of determination of prediction(R2p)of 0.956 4 and a root mean square errors of prediction(RMSEP)of 0.278 1,which increased by 1.87%and decreased by 15.57%compared with those(0.938 8 and 0.329 4)from K/S partition of 100 primary calibration sets,respectively.The average number of calibration sets selected from 10 BDA experiments was 30.2,and the protein content of wheat flour was predicted better by the 10 models developed than that obtained based on the primary calibration set.Therefore,BDA can select a small number of representative calibration set samples based on which a PLSR model with good robustness and high prediction accuracy for the protein content of wheat flour can be established.The proposed method can provide an efficient tool for calibration set selection in near-infrared spectroscopic analysis of the quality of wheat flour.

胡云超;刘智健;汪莹;黄浩冉;王红鸿;吴彩娥;熊智新

南京林业大学轻工与食品学院,江苏南京 210037

轻工业

蜻蜓算法近红外光谱校正集优选小麦粉蛋白质含量

dragonfly algorithmnear-infrared spectroscopyoptimization of calibration setprotein content of wheat flour

《食品科学》 2024 (009)

9-15 / 7

"十三五"国家重点研发计划重点专项(2019YFD1002300)

10.7506/spkx1002-6630-20230317-170

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