基于模拟退火蜂群算法的近红外光谱特征变量选择

IF 2.1 4区 化学 Q1 SOCIAL WORK
Jianfei Shi, Baihong Tong, Jinming Liu, Zhengguang Chen, Pengfei Li, Chong Tan
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引用次数: 0

摘要

变量选择是提高近红外光谱建模性能的有效方法。鉴于智能优化算法在光谱特征变量选择中的应用前景广阔,本文将人工蜂群算法与模拟退火算法相结合,构建了模拟退火蜂群算法(SABC)。为了探索SABC在光谱变量选择上的可行性,应用SABC构建了玉米秸秆纤维素和土壤有机质含量的偏最小二乘光谱定量检测模型。比较了全谱算法、遗传算法、模拟退火算法和人工蜂群算法的建模性能;结果表明,SABC建立的模型回归精度最好。对于纤维素和有机物含量检测模型,验证集的确定系数分别为0.9433和0.9853,相对均方根误差分别为1.7901%和0.8011%,残差预测偏差分别为4.1741和8.3931,可以满足相应的实际检测需求。SABC采用多次运行策略选择重复波长变量,有效降低了变量维数和模型复杂度,提高了回归模型的预测性能,为构建高性能近红外光谱(NIRS)定量定标模型提供了新的途径。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Feature Variable Selection for Near-Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm

Feature Variable Selection for Near-Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm

Feature Variable Selection for Near-Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm

Feature Variable Selection for Near-Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm

Variable selection is an effective method to enhance the modeling performance of near-infrared spectroscopy. Given the promising application prospects of intelligent optimization algorithms in spectral feature variable selection, this article combines the artificial bee colony algorithm with the simulated annealing algorithm to construct a simulated annealing bee colony algorithm (SABC). To explore the feasibility of SABC for spectral variable selection, SABC was applied to construct a partial least squares spectral quantitative detection model for corn stover cellulose and soil organic matter contents. The modeling performance was compared with that of the full spectrum, genetic algorithm, simulated annealing algorithm, and artificial bee colony algorithm; it was found that the model regression precision established by SABC was the best. For the cellulose and organic matter content detection models, the coefficients of determination of the validation set were 0.9433 and 0.9853, with the relative root mean squared error of 1.7901% and 0.8011%, and the residual prediction deviation of 4.1741 and 8.3931, respectively, which could meet the corresponding actual detection needs. SABC adopted the strategy of multiple runs to select the repeated wavelength variables, effectively reduced variable dimensions and model complexity, improved the prediction performance of the regression model, and provided a new approach for building a high-performance near-infrared spectroscopy (NIRS) quantitative calibration model.

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来源期刊
Journal of Chemometrics
Journal of Chemometrics 化学-分析化学
CiteScore
5.20
自引率
8.30%
发文量
78
审稿时长
2 months
期刊介绍: The Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Short, critical review papers are a particularly important feature of the journal, in view of the multidisciplinary readership at which it is aimed.
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