为提高白酒固态发酵的副产物黄水中淀粉含量预测模型精度和建模效率。采用傅里叶变换近红外光谱仪采集黄水光谱信息,利用一阶导数对光谱进行预处理,并结合偏最小二乘回归(partial least squares regression,PLSR)建立黄水淀粉定量预测...为提高白酒固态发酵的副产物黄水中淀粉含量预测模型精度和建模效率。采用傅里叶变换近红外光谱仪采集黄水光谱信息,利用一阶导数对光谱进行预处理,并结合偏最小二乘回归(partial least squares regression,PLSR)建立黄水淀粉定量预测模型。使用决定系数(R^(2))和预测均方误差(root mean square error of prediction,RMSEP)评价模型性能。光谱中含有大量冗余信息,为有效提升黄水淀粉含量检测精度和优化模型效率,将不同特征提取方法的优点结合,发现使用竞争性自适应重加权算法(competitive adaptive reweighted sampling,CARS)结合连续投影算法(successive projections algorithm,SPA)提取的光谱特征所建立的PLSR模型,相较于未使用特征提取或仅使用单一特征提取所建立的模型均有明显提升。在单一使用CARS时,模型的R^(2)为0.9654,RMSEP为0.2012%,而结合SPA后,R2为0.9738,RMSEP为0.1748%。此外,光谱维度从2203个减少到了126个,不仅提高了预测精度,也提升了建模效率。本研究提出的方法可作为黄水近红外定量模型优化的有效途径。展开更多
With the increase of exploration depth,it is more and more difficult to find Au deposits.Due to the limitation of time and cost,traditional geological exploration methods are becoming increasingly difficult to be effe...With the increase of exploration depth,it is more and more difficult to find Au deposits.Due to the limitation of time and cost,traditional geological exploration methods are becoming increasingly difficult to be effectively applied.Thus,new methods and ideas are urgently needed.This study assessed the feasibility and effectiveness of using hyperspectral technology to prospect for hidden Au deposits.For this purpose,48 plant(Seriphidium terrae-albae)and soil(aeolian gravel desert soil)samples were first collected along a sampling line that traverses an Au mineralization alteration zone(Aketasi mining region in an arid region of China)and were used to obtain soil Au contents by a chemical analysis method and the reflectance spectra of plants obtained with an Analytical Spectral Device(ASD)FieldSpec3 spectrometer.Then,the corresponding relationship between the soil Au content anomaly and concealed Au deposits was investigated.Additionally,the characteristic bands were selected from plant spectra using four different methods,namely,genetic algorithm(GA),stepwise regression analysis(STE),competitive adaptive reweighted sampling(CARS),and correlation coefficient method(CC),and were then input into the partial least squares(PLS)method to construct a model for estimating the soil Au content.Finally,the quantitative relationship between the soil Au content and the 15 different plant transformation spectra was established using the PLS method.The results were compared with those of a model based on the full spectrum.The results obtained in this study indicate that the location of concealed Au deposits can be predicted based on soil geochemical anomaly information,and it is feasible and effective to use the full plant spectrum and PLS method to estimate the Au content in the soil.The cross-validated coefficient of determination(R2)and the ratio of the performance to deviation(RPD)between the predicted value and the measured value reached the maximum of 0.8218 and 2.37,respectively,with a minimum value of 6.56μg/kg for the root-mean-squared error(RMSE)in the full spectrum model.However,in the process of modeling,it is crucial to select the appropriate transformation spectrum as the input parameter for the PLS method.Compared with the GA,STE,and CC methods,CARS was the superior characteristic band screening method based on the accuracy and complexity of the model.When modeling with characteristic bands,the highest accuracy,R2 of 0.8016,RMSE of 7.07μg/kg,and RPD of 2.20 were obtained when 56 characteristic bands were selected from the transformed spectra(1/lnR)'(where it represents the first derivative of the reciprocal of the logarithmic spectrum)of sampled plants using the CARS method and were input into the PLS method to construct an inversion model of the Au content in the soil.Thus,characteristic bands can replace the full spectrum when constructing a model for estimating the soil Au content.Finally,this study proposes a method of using plant spectra to find concealed Au deposits,which may have promising application prospects because of its simplicity and rapidity.展开更多
Objectives:The composition and content of fatty acids are critical indicators of vegetable oil quality.To overcome the drawbacks of traditional detection methods,Raman spectroscopy was investigated for the fast determ...Objectives:The composition and content of fatty acids are critical indicators of vegetable oil quality.To overcome the drawbacks of traditional detection methods,Raman spectroscopy was investigated for the fast determination of the fatty acids composition of oil.Materials and Methods:Rapeseed and soybean oil at different depths of the oil tank at different storage times were collected and an eighth-degree polynomial function was used to fit the Raman spectrum.Then,the multivariate scattering correction,standard normal variable transformation(SNV),and Savitzky–Golay convolution smoothing methods were compared.Results:Polynomial fitting combined with SNV was found to be the optimal pretreatment method.Characteristic wavelengths were selected by competitive adaptive reweighted sampling.For monounsaturated fatty acids(MUFAs),polyunsaturated fatty acids(PUFAs),and saturated fatty acids(SFAs),44,75,and 92 characteristic wavelengths of rapeseed oil,and 60,114,and 60 characteristic wavelengths of soybean oil were extracted.Support vector regression was used to establish the prediction model.The R^(2)values of the prediction results of MUFAs,PUFAs,and SFAs for rapeseed oil were 0.9670,0.9568,and 0.9553,and the root mean square error(RMSE)values were 0.0273,0.0326,and 0.0340,respectively.The R^(2)values of the prediction results of fatty acids for soybean oil were respectively 0.9414,0.9562,and 0.9422,and RMSE values were 0.0460,0.0378,and 0.0548,respectively.A good correlation coefficient and small RMSE value were obtained,indicating the results to be highly accurate and reliable.Conclusions:Raman spectroscopy,based on competitive adaptive reweighted sampling coupled with support vector regression,can rapidly and accurately analyze the fatty acid composition of vegetable oil.展开更多
文摘为提高白酒固态发酵的副产物黄水中淀粉含量预测模型精度和建模效率。采用傅里叶变换近红外光谱仪采集黄水光谱信息,利用一阶导数对光谱进行预处理,并结合偏最小二乘回归(partial least squares regression,PLSR)建立黄水淀粉定量预测模型。使用决定系数(R^(2))和预测均方误差(root mean square error of prediction,RMSEP)评价模型性能。光谱中含有大量冗余信息,为有效提升黄水淀粉含量检测精度和优化模型效率,将不同特征提取方法的优点结合,发现使用竞争性自适应重加权算法(competitive adaptive reweighted sampling,CARS)结合连续投影算法(successive projections algorithm,SPA)提取的光谱特征所建立的PLSR模型,相较于未使用特征提取或仅使用单一特征提取所建立的模型均有明显提升。在单一使用CARS时,模型的R^(2)为0.9654,RMSEP为0.2012%,而结合SPA后,R2为0.9738,RMSEP为0.1748%。此外,光谱维度从2203个减少到了126个,不仅提高了预测精度,也提升了建模效率。本研究提出的方法可作为黄水近红外定量模型优化的有效途径。
基金This research was funded by the National Natural Science Foundation of China(U1803117)the Young Scholars in Western China,Chinese Academy of Sciences(2020-XBQNXZ-014)+3 种基金the Tianchi Doctoral Plan(Y970000317)the Key Project of Natural Science Foundation of China-Xinjiang Joint Fund(U1803241)the Xinjiang Uygur Autonomous Region Talent Special Plan-Tianshan Outstanding Youth(2019Q033)the Geological Exploration Project of Xinjiang Bureau of Geo-exploration and Minera development(XGMB202143).
文摘With the increase of exploration depth,it is more and more difficult to find Au deposits.Due to the limitation of time and cost,traditional geological exploration methods are becoming increasingly difficult to be effectively applied.Thus,new methods and ideas are urgently needed.This study assessed the feasibility and effectiveness of using hyperspectral technology to prospect for hidden Au deposits.For this purpose,48 plant(Seriphidium terrae-albae)and soil(aeolian gravel desert soil)samples were first collected along a sampling line that traverses an Au mineralization alteration zone(Aketasi mining region in an arid region of China)and were used to obtain soil Au contents by a chemical analysis method and the reflectance spectra of plants obtained with an Analytical Spectral Device(ASD)FieldSpec3 spectrometer.Then,the corresponding relationship between the soil Au content anomaly and concealed Au deposits was investigated.Additionally,the characteristic bands were selected from plant spectra using four different methods,namely,genetic algorithm(GA),stepwise regression analysis(STE),competitive adaptive reweighted sampling(CARS),and correlation coefficient method(CC),and were then input into the partial least squares(PLS)method to construct a model for estimating the soil Au content.Finally,the quantitative relationship between the soil Au content and the 15 different plant transformation spectra was established using the PLS method.The results were compared with those of a model based on the full spectrum.The results obtained in this study indicate that the location of concealed Au deposits can be predicted based on soil geochemical anomaly information,and it is feasible and effective to use the full plant spectrum and PLS method to estimate the Au content in the soil.The cross-validated coefficient of determination(R2)and the ratio of the performance to deviation(RPD)between the predicted value and the measured value reached the maximum of 0.8218 and 2.37,respectively,with a minimum value of 6.56μg/kg for the root-mean-squared error(RMSE)in the full spectrum model.However,in the process of modeling,it is crucial to select the appropriate transformation spectrum as the input parameter for the PLS method.Compared with the GA,STE,and CC methods,CARS was the superior characteristic band screening method based on the accuracy and complexity of the model.When modeling with characteristic bands,the highest accuracy,R2 of 0.8016,RMSE of 7.07μg/kg,and RPD of 2.20 were obtained when 56 characteristic bands were selected from the transformed spectra(1/lnR)'(where it represents the first derivative of the reciprocal of the logarithmic spectrum)of sampled plants using the CARS method and were input into the PLS method to construct an inversion model of the Au content in the soil.Thus,characteristic bands can replace the full spectrum when constructing a model for estimating the soil Au content.Finally,this study proposes a method of using plant spectra to find concealed Au deposits,which may have promising application prospects because of its simplicity and rapidity.
基金funded by the Key Science and Technology Program of Henan Province under Grant No.212102110262Science and Technology Plan Project of Henan Provincial Market Supervision and Administration Bureau under Grant No.2021sj40+1 种基金the Key Research Program of Zhejiang Province under Grant No.2020C02018Scientific Research Projects for College Students under Grant No.2020KX0006,China.The authors acknowledge the support.
文摘Objectives:The composition and content of fatty acids are critical indicators of vegetable oil quality.To overcome the drawbacks of traditional detection methods,Raman spectroscopy was investigated for the fast determination of the fatty acids composition of oil.Materials and Methods:Rapeseed and soybean oil at different depths of the oil tank at different storage times were collected and an eighth-degree polynomial function was used to fit the Raman spectrum.Then,the multivariate scattering correction,standard normal variable transformation(SNV),and Savitzky–Golay convolution smoothing methods were compared.Results:Polynomial fitting combined with SNV was found to be the optimal pretreatment method.Characteristic wavelengths were selected by competitive adaptive reweighted sampling.For monounsaturated fatty acids(MUFAs),polyunsaturated fatty acids(PUFAs),and saturated fatty acids(SFAs),44,75,and 92 characteristic wavelengths of rapeseed oil,and 60,114,and 60 characteristic wavelengths of soybean oil were extracted.Support vector regression was used to establish the prediction model.The R^(2)values of the prediction results of MUFAs,PUFAs,and SFAs for rapeseed oil were 0.9670,0.9568,and 0.9553,and the root mean square error(RMSE)values were 0.0273,0.0326,and 0.0340,respectively.The R^(2)values of the prediction results of fatty acids for soybean oil were respectively 0.9414,0.9562,and 0.9422,and RMSE values were 0.0460,0.0378,and 0.0548,respectively.A good correlation coefficient and small RMSE value were obtained,indicating the results to be highly accurate and reliable.Conclusions:Raman spectroscopy,based on competitive adaptive reweighted sampling coupled with support vector regression,can rapidly and accurately analyze the fatty acid composition of vegetable oil.
