Laser-Induced Breakdown Spectroscopy and a Convolutional Neural Network Model for Predicting Total Iron Content in Iron Ores

激光诱导击穿光谱 特征选择 铁矿石 卷积神经网络 光谱学 单变量 内容(测量理论) 相关系数 分析化学(期刊) 人工神经网络 化学 线性回归 随机森林 材料科学 模式识别(心理学) 多元统计 人工智能 冶金 数学 计算机科学 统计 物理 环境化学 数学分析 量子力学
作者
Yue Jin,Shu Liu,Hong Ki Min,Chenglin Yan,Piao Su,Zhuomin Huang,Yarui An,Chen Li
出处
期刊:Applied Spectroscopy [SAGE Publishing]
卷期号:79 (3): 426-437 被引量:5
标识
DOI:10.1177/00037028241294088
摘要

Laser-induced breakdown spectroscopy (LIBS) is a rapid method for detecting total iron (TFe) content in iron ores. However, accuracy and measurement error of univariate regression analysis in LIBS are limited due to factors such as laser energy fluctuations and spectral interference. To address this, multiple regression analysis and feature selection/extraction are needed to reduce redundant information, decrease the correlation between variables, and quantify the TFe content of iron ores accurately. Overall, 339 batches of iron ore samples from five countries were obtained from the ports of China during the discharging, and 2034 representative spectra were collected. A convolutional neural network (CNN) model for total iron content prediction in iron ores is established. The performance of variable importance random forest (VI-RF), variable importance back propagation artificial neural network (VI-BP-ANN), and CNN-assisted LIBS in predicting the TFe content of iron ores was compared. Coefficient of determination ( R 2 ), root mean square error (RMSE), mean relative error (MRE), and modeling time were selected for model evaluation. The result shows that variable importance significantly enhances the quantitative accuracy and reduces modeling time compared to traditional BP-ANN and RF models. Moreover, the CNN model outperformed manual feature selection methods (VI-BP-ANN and VI-RF), exhibiting the shortest modeling time, highest R 2 , lowest RMSE, and MRE. CNN model's unique characteristics, such as weight sharing and local connection, make it well suited for analyzing high-dimensional LIBS data in multivariate regression analysis. Our approach demonstrates the effectiveness of machine learning and deep learning approaches in improving the accuracy of LIBS for TFe content prediction in iron ores. CNN-assisted LIBS method holds great potential for practical applications in the mining industry.
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