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• Pretreatment combined algorithms combining multiple mathematical transformations and dimensionality reduction algorithms to comprehensively process raw spectral data. • The advantage of this method is high accuracy". • A method for selecting the optimal Pretreatment combined algorithm is proposed and can accurately predict the accuracy of skarn-type iron ore. Iron ore grade determination is a key step in mining production, and its efficiency has a significant impact on mining efficiency and profitability. At present, the most commonly used method for ore grade determination is chemical analysis, which not only is expensive but also has a long assay cycle and lag effect relative to the ore allocation process and cannot effectively reduce the loss depletion rate of ore mining. Therefore, in situ iron ore grade data determination technology based on visible and near-infrared hyperspectral data analysis is an effective way to solve the above problems, but the poor quality of raw hyperspectral data and low accuracy of the ore grade inversion model are still one of the bottlenecks in the application of this technology. In this paper, 225 ore samples were collected from Hongling skarn-type iron ore in Chifeng, Inner Mongolia Autonomous Region, China. The visible and near-infrared hyperspectral data of the sample set and the grade data obtained from chemical analysis were used as data sources. The raw spectral data were first smoothed, and then the smoothed spectral data were processed using two algorithms, continuum removal (CR) and standard normal variate transform (SNV). Then, two dimensionality reduction algorithms, principal component analysis (PCA) and genetic algorithm (GA), were used to reduce the dimensionality of the spectral data before and after preprocessing, and the data sources were obtained after the four different preprocessing combination algorithms were processed. Finally, several quantitative inversion models were established based on the random forest algorithm and the backpropagation neural network (BPNN) algorithm. The stability, accuracy and credibility of the models were evaluated by four metrics: the coefficient of determination (R2), root mean square error (RMSE), residual prediction deviation(RPD) and mean relative error (MRE). The results showed that the quantitative inversion model (SNV-PCA-BPNN) established based on the BP neural network algorithm using the data processed by SNV and PCA for dimensionality reduction was the best, with an R2 of 0.99, an RMSE of 0.0048, an MRE of 1.10% and a RPD of 37.70, providing an effective method for the high-precision inversion of iron ore grades. [ABSTRACT FROM AUTHOR]

• The spectral data are pre-processed using three dimensionality reduction algorithms. • Optimize the parameters of the dimensionality reduction algorithm. • Establishment of a high-precision grade inversion model for Derni copper deposit. At present, chemical analysis is the main method for copper ore grade verification. Because of its long test cycle and lag effect relative to mining and ore blending processes, this approach cannot effectively reduce losses in mineral resource mining. An effective way to solve this problem is to conduct research on in situ grade determination methods for ore bodies based on visible-near-infrared hyperspectral grade modelling techniques. However, the accuracy of the modelling is seriously reduced by the large redundancy of hyperspectral data and the self-limiting nature of some machine learning methods. Therefore, the accurate selection of dimensionality reduction algorithms and machine learning algorithms determines the accuracy of the inverse model, and the setting of parameters such as dimensionality reduction, number of nearest neighbour points and number of hidden layers in neural networks is crucial. In this paper, 190 ore samples were collected from the open pit of the Derni copper deposit in Dawu town, Guoluo Tibetan Autonomous Prefecture, Qinghai Province, China. First, the visible-near-infrared spectral data for the sample set were obtained with an SVC HR-1024 spectrometer. The copper grade of the sample set was verified by chemical analysis. Three algorithms—the Laplacian eigenmap (LE), local tangent space alignment (LTSA) and local linear embedding (LLE)—were used to reduce the dimensionality of the original hyperspectral data. The original data and the three hyperspectral datasets after dimensionality reduction were used as data sources. Several Derni copper grade inversion models based on two machine learning algorithms, the backpropagation neural network and radial basis function (RBF) neural network, were developed. Finally, the coefficient of determination (R2), mean absolute error (MAE) and root mean square error (RMSE) were used to evaluate the accuracy of each model. The results show that the accuracy of the model built with spectral data processed by the dimension reduction algorithm is higher than that of the model constructed with the original spectral data. Among the above combined models, the LLE-RBF model has the highest inversion accuracy. The MAE of the model is 0.117%, the RMSE is 0.136, and R2 is 0.934. [ABSTRACT FROM AUTHOR]

• Combination of multiple pre-processing methods to comprehensively process raw spectral data. • The advantages of this method are high accuracy. • A method for selecting the optimal principle of spectral index is proposed. With saline-alkali land in Zhenlai County, Baicheng city, Jilin Province, China as the research object, a quantitative inversion model for the heavy metal content of manganese (Mn), cobalt (Co) and iron (Fe) in saline-alkali soil and the visible-near-infrared spectroscopy data were established. First, Savitzky-Golay (SG) smoothing, multivariate scattering correction (MSC), continuum removal (CR), and combined transformation methods were performed on the original spectral data. By analysing the correlation between processed data and heavy metal content, the characteristic bands corresponding to different spectral transformations were extracted. Next, the ratio index (RI), difference index (DI) and normalized difference index (NDI) were constructed, and the spectral index was determined to have the most significant correlation with the combination of Mn-, Co- and Fe-content-sensitive bands and its corresponding Spearman rank correlation coefficient. Finally, a quantitative inversion model for the heavy metal content (Mn, Co and Fe) in soda saline-alkali land was established, and its accuracy was verified. The research results show that the optimal band selection principle for the quantitative inversion model of heavy metals in soda saline-alkali land is as follows: Mn selected 219 groups of sensitive bands with correlation coefficient r > 0.70, Co selected 1377 groups of sensitive bands with correlation coefficient r > 0.80, and Fe selected 104 groups of sensitive bands with correlation coefficient r > 0.80. Based on these selection principles, the random forest algorithm was used to perform an inversion for the Mn, Co and Fe contents with the best results, the goodness of fit (R2) values between predicted and measured values were 0.76, 0.92 and 0.91, and the mean relative accuracy was 91.75%, 92.45% and 93.90%, respectively. This method has improved prediction accuracy of the Mn, Co and Fe contents in saline-alkali land. [ABSTRACT FROM AUTHOR]