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    激光诱导击穿光谱技术结合Stacking集成算法模型快速预测废钢中9种元素的含量

    Rapid Predication of 9 Elements in Scrap Steel by Laser Induced Breakdown Spectroscopy with Stacking Integrated Algorithm Model

    • 摘要: 基于激光诱导击穿光谱技术,结合Stacking集成算法模型,建立了废钢中铬、镍、铜、硅、锰、钒、碳、钛、铝等9种元素的定量分析模型。采用便携激光诱导击穿光谱仪对12个合金钢标准样品进行采集,对光谱数据进行剔除误差、平均、基线校正后,基于美国国家标准与技术研究院谱线数据库筛选出各元素和基体元素(铁元素)的谱线,利用相关性程度对各元素谱线和归一化线进行最优化匹配,得到各元素的最优归一化谱线对。以最优谱线对归一化后的谱线数据作为各元素模型的输入,将Lasso、岭回归和二次线性回归模型的输出合并,作为次学习器的输入,将元素认定值作为次学习器的输出,次学习器选用线性回归模型进行训练建模,最终得到各元素的Stacking集成算法模型。结果显示:9种元素模型的相关决定系数为0.985 6~0.999 7,均方根误差为0.008 1~0.046 8,平均绝对误差为0.006 0~0.034 5;元素测定值的相对标准偏差(n=5)均小于7.0%;模型用于预测合金钢标准样品,测定值与认定值相对误差的绝对值小于10%。

       

      Abstract: The quantitative analysis models of 9 elements, including chromium, nickel, copper, silicon, manganese, vanadium, carbon, titanium, and aluminum in scrap steel were established based on laser induced breakdown spectroscopy with Stacking integrated algorithm model. 12 alloy steel standard samples were collected using a portable laser induced breakdown spectroscopy instrument. After the spectral data were subjected to error removal, averaging, and baseline correction, the spectral lines of each element and the matrix element (iron element) were screened based on the spectral line database of the National Institute of Standards and Technology (NIST). The spectral lines of each element and the normalization lines were optimally matched using the degree of correlation, and the optimal normalized spectral line pairs for each element were obtained. The spectral line data normalized by the optimal spectral line pairs were taken as the input for each element model. The outputs of the models, namely the Lasso regression model, the ridge regression model, and the quadratic linear regression model, were combined and used as the input for the meta-learner. The certified values of the elements were used as the output of the meta-learner. The meta-learner was selected as the logistic regression model for training and modeling. Finally, the Stacking integrated algorithm models for each element were obtained. The results showed that the correlation coefficients of determination of the models of 9 elements were in the range of 0.985 6-0.999 7,with the root mean square errors in the range of 0.008 1-0.046 8, and the average absolute errors in the range of 0.006 0-0.034 5. The RSDs (n=5) of the elemental determination values were less than 7.0%. The model was used to predict the alloy steel standard sample, and the absolute values of the relative error between the determined values and the certified values were less than 10%.

       

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