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Volatile profile analysis and quality prediction of Longjing tea(Camellia sinensis) by HS-SPME/GC-MS 被引量:40
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作者 Jie LIN Yi DAI +2 位作者 Ya-nan GUO Hai-rong XU Xiao-chang WANG 《Journal of Zhejiang University-Science B(Biomedicine & Biotechnology)》 SCIE CAS CSCD 2012年第12期972-980,共9页
This study aimed to analyze the volatile chemical profile of Longjing tea, and further develop a prediction model for aroma quality of Longjing tea based on potent odorants. A total of 21 Longjing samples were analyze... This study aimed to analyze the volatile chemical profile of Longjing tea, and further develop a prediction model for aroma quality of Longjing tea based on potent odorants. A total of 21 Longjing samples were analyzed by headspace solid phase microextraction (HS-SPME) coupled with gas chromatography-mass spectrometry (GC-MS).Pearson's linear correlation analysis and partial least square (PLS) regression were applied to investigate the relationship between sensory aroma scores and the volatile compounds. Results showed that 60 volatile compound scould be commonly detected in this famous green tea. Terpenes and esters were two major groups characterized,representing 33.89% and 15.53% of the total peak area respectively. Ten compounds were determined to contribute significantly to the perceived aroma quality of Longjing tea, especially linalool (0.701), nonanal (0.738), (Z)-3-hexenyl hexanoate (-0.785), and β-ionone (-0.763). On the basis of these 10 compounds, a model (correlation coefficient of89.4% and cross-validated correlation coefficient of 80.4%) was constructed to predict the aroma quality of Longjingtea. Summarily, this study has provided a novel option for quality prediction of green tea based on HS-SPME/GC-MStechnique. 展开更多
关键词 Partial least square (PLS) regression Green tea Headspace solid phase microextraction (HS-SPME) Volatile profile quality prediction
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Multivariate Statistical Process Monitoring and Control: Recent Developments and Applications to Chemical Industry 被引量:39
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作者 梁军 钱积新 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2003年第2期191-203,共13页
Multivariate statistical process monitoring and control (MSPM&C) methods for chemical process monitoring with statistical projection techniques such as principal component analysis (PCA) and partial least squares ... Multivariate statistical process monitoring and control (MSPM&C) methods for chemical process monitoring with statistical projection techniques such as principal component analysis (PCA) and partial least squares (PLS) are surveyed in this paper. The four-step procedure of performing MSPM&C for chemical process, modeling of processes, detecting abnormal events or faults, identifying the variable(s) responsible for the faults and diagnosing the source cause for the abnormal behavior, is analyzed. Several main research directions of MSPM&C reported in the literature are discussed, such as multi-way principal component analysis (MPCA) for batch process, statistical monitoring and control for nonlinear process, dynamic PCA and dynamic PLS, and on-line quality control by inferential models. Industrial applications of MSPM&C to several typical chemical processes, such as chemical reactor, distillation column, polymerization process, petroleum refinery units, are summarized. Finally, some concluding remarks and future considerations are made. 展开更多
关键词 multivariate statistical process monitoring and control (MSPM&C) fault detection and isolation (FDI) principal component analysis (PCA) partial least squares (PLS) quality control inferential model
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Multivariate analysis between meteorological factor and fruit quality of Fuji apple at different locations in China 被引量:11
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作者 ZHANG Qiang ZHOU Bei-bei +2 位作者 LI Min-ji WEI Qin-ping HAN Zhen-hai 《Journal of Integrative Agriculture》 SCIE CAS CSCD 2018年第6期1338-1347,共10页
China has the largest apple planting area and total yield in the world, and the Fuji apple is the major cultivar, accounting for more than 70% of apple planting acreage in China. Apple qualities are affected by meteo... China has the largest apple planting area and total yield in the world, and the Fuji apple is the major cultivar, accounting for more than 70% of apple planting acreage in China. Apple qualities are affected by meteorological conditions, soil types, nutrient content of soil, and management practices. Meteorological factors, such as light, temperature and moisture are key environmental conditions affecting apple quality that are difficult to regulate and control. This study was performed to determine the effect of meteorological factors on the qualities of Fuji apple and to provide evidence for a reasonable regional layout and planting of Fuji apple in China. Fruit samples of Fuji apple and meteorological data were investigated from 153 commercial Fuji apple orchards located in 51 counties of 11 regions in China from 2010 to 2011. Partial least-squares regression and linear programming were used to analyze the effect model and impact weight of meteorological factors on fruit quality, to determine the major meteorological factors influencing fruit quality attributes, and to establish a regression equation to optimize meteorological factors for high-quality Fuji apples. Results showed relationships between fruit quality attributes and meteorological factors among the various apple producing counties in China. The mean, minimum, and maximum temperatures from April to October had the highest positive effects on fruit qualities in model effect loadings and weights, followed by the mean annual temperature and the sunshine percentage, the temperature difference between day and night, and the total precipitation for the same period. In contrast, annual total precipitation and relative humidity from April to October had negative effects on fruit quality. The meteorological factors exhibited distinct effects on the different fruit quality attributes. Soluble solid content was affected from the high to the low row preface by annual total precipitation, the minimum temperature from April to October, the mean temperature fro 展开更多
关键词 Fuji apple quality attribute meteorological factor partial least-squares regression (PLSR)
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Determination of Soil Parameters in Apple-Growing Regions by Near-and Mid-Infrared Spectroscopy 被引量:8
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作者 DONG Yi-Wei YANG Shi-Qi +5 位作者 XU Chun-Ying LI Yu-Zhong BAI Wei FAN Zhong-Nan WANG Ya-Nan LI Qiao-Zhen 《Pedosphere》 SCIE CAS CSCD 2011年第5期591-602,共12页
Soil quality monitoring is important in precision agriculture.This study aimed to examine the possibility of assessing the soil parameters in apple-growing regions using spectroscopic methods.A total of 111 soil sampl... Soil quality monitoring is important in precision agriculture.This study aimed to examine the possibility of assessing the soil parameters in apple-growing regions using spectroscopic methods.A total of 111 soil samples were collected from 11 typical sites of apple orchards,and the croplands surrounding them.Near-infrared(NIR) and mid-infrared(MIR) spectra,combined with partial least square regression,were used to predict the soil parameters,including organic matter(OM) content,pH,and the contents of As,Cu,Zn,Pb,and Cr.Organic matter and pH were closely correlated with As and the heavy metals.The NIR model showed a high prediction accuracy for the determination of OM,pH,and As,with correlation coefficients(r) of 0.89,0.89,and 0.90,respectively.The predictions of these three parameters by MIR showed reduced accuracy,with r values of 0.77,0.84,and 0.92,respectively.The heavy metals could also be measured by spectroscopy due to their correlation with organic matter.Both NIR and MIR had high correlation coefficients for the determination of Cu,Zn,and Cr,with standard errors of prediction of 2.95,10.48,and 9.49 mg kg-1 for NIR and 3.69,5.84,and 6.94 mg kg-1 for MIR,respectively.Pb content behaved differently from the other parameters.Both NIR and MIR underestimated Pb content,with r values of 0.67 and 0.56 and standard errors of prediction of 3.46 and 2.99,respectively.Cu and Zn had a higher correlation with OM and pH and were better predicted than Pb and Cr.Thus,NIR spectra could accurately predict several soil parameters,metallic and nonmetallic,simultaneously,and were more feasible than MIR in analyzing soil parameters in the study area. 展开更多
关键词 heavy metals partial least square regression prediction accuracy soil quality spectroscopic method
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A Deep Residual PLS for Data-Driven Quality Prediction Modeling in Industrial Process
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作者 Xiaofeng Yuan Weiwei Xu +2 位作者 Yalin Wang Chunhua Yang Weihua Gui 《IEEE/CAA Journal of Automatica Sinica》 SCIE EI CSCD 2024年第8期1777-1785,共9页
Partial least squares(PLS)model is the most typical data-driven method for quality-related industrial tasks like soft sensor.However,only linear relations are captured between the input and output data in the PLS.It i... Partial least squares(PLS)model is the most typical data-driven method for quality-related industrial tasks like soft sensor.However,only linear relations are captured between the input and output data in the PLS.It is difficult to obtain the remaining nonlinear information in the residual subspaces,which may deteriorate the prediction performance in complex industrial processes.To fully utilize data information in PLS residual subspaces,a deep residual PLS(DRPLS)framework is proposed for quality prediction in this paper.Inspired by deep learning,DRPLS is designed by stacking a number of PLSs successively,in which the input residuals of the previous PLS are used as the layer connection.To enhance representation,nonlinear function is applied to the input residuals before using them for stacking highlevel PLS.For each PLS,the output parts are just the output residuals from its previous PLS.Finally,the output prediction is obtained by adding the results of each PLS.The effectiveness of the proposed DRPLS is validated on an industrial hydrocracking process. 展开更多
关键词 Deep residual partial least squares(DRPLS) nonlinear function quality prediction soft sensor
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布氏硬度与抗拉强度的相关性在质控中的应用 被引量:6
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作者 孙远东 《兵器材料科学与工程》 CAS CSCD 北大核心 2019年第2期92-95,共4页
研究检测结果的质量控制是保证试验质量水平的必要措施。采用基于相关性检验法、最小二乘法、方差检验法、回归预测法对某42CrMo调质钢布氏硬度和抗拉强度结果进行研究。结果表明:42CrMo调质钢的布氏硬度和抗拉强度之间存在较好的线性关... 研究检测结果的质量控制是保证试验质量水平的必要措施。采用基于相关性检验法、最小二乘法、方差检验法、回归预测法对某42CrMo调质钢布氏硬度和抗拉强度结果进行研究。结果表明:42CrMo调质钢的布氏硬度和抗拉强度之间存在较好的线性关系,回归的数学模型具有较好的显著性,通过统计学计算能实现对42CrMo调质钢室温拉伸试验中抗拉强度检测结果的质量控制。 展开更多
关键词 相关性检验 最小二乘法 回归预测 质量控制 42CRMO钢 布氏硬度 抗拉强度
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Predicting Levels of Crude Protein, Digestibility, Lignin and Cellulose in Temperate Pastures Using Hyperspectral Image Data 被引量:4
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作者 Susanne Thulin Michael J. Hill +2 位作者 Alex Held Simon Jones Peter Woodgate 《American Journal of Plant Sciences》 2014年第7期997-1019,共23页
Hyperspectral sensors provide the potential for direct estimation of pasture feed quality attributes. However, remote sensing retrieval of digestibility and fibre (lignin and cellulose) content of vegetation has prove... Hyperspectral sensors provide the potential for direct estimation of pasture feed quality attributes. However, remote sensing retrieval of digestibility and fibre (lignin and cellulose) content of vegetation has proven to be challenging since tissue optical properties may not be propagated to the canopy level in mixed cover types. In this study, partial least squares regression on spectra from HyMap and Hyperion imagery were used to construct predictive models for estimation of crude protein, digestibility, lignin and cellulose concentration in temperate pastures. HyMap and Hyperion imagery and field spectra were collected over four pasture sites in southern Victoria, Australia. Co-incident field samples were analyzed with wet chemistry methods for crude protein, lignin and cellulose concentration, and digestibility was calculated from fiber determinations. Spectral data were subset based on sites and time of year of collection. Reflectance spectra were extracted from the hyperspectral imagery and collated for analysis. Six different transformations including derivatives and continuum removal were applied to the spectra to enhance absorption features sensitive to the quality attributes. The transformed reflectance spectra were then subjected to partial least squares regression, with full cross-validation “leave-one-out” technique, against the quality attributes to assess effects of the spectral transformations and post-atmospheric smoothing techniques to construct predictive models. Model performance between spectrometers, subsets and attributes were assessed using a coefficient of variation (CV), —the interquantile (IQ) range of the attribute values divided by the root mean square error of prediction (RMSEP) from the models. The predictive models with the highest CVs were obtained for digestibility for all spectra types, with HyMap the highest. However, models with slightly lower CVs were obtained for crude protein, lignin and cellulose. The spectral regions for diagnostic wavelengths fell within the chlor 展开更多
关键词 PASTURE quality CRUDE Protein DIGESTIBILITY LIGNIN Cellulose HYPERSPECTRAL Remote Sensing Partial-least SQUARES Regression
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Phase Transition Analysis Based Quality Prediction for Multi-phase Batch Processes 被引量:3
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作者 赵露平 赵春晖 高福荣 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2012年第6期1191-1197,共7页
Batch processes are usually involved with multiple phases in the time domain and many researches on process monitoring as well as quality prediction have been done using phase information. However, few of them conside... Batch processes are usually involved with multiple phases in the time domain and many researches on process monitoring as well as quality prediction have been done using phase information. However, few of them consider phase transitions, though they exit widely in batch processes and have non-ignorable impacts on product qualities. In the present work, a phase-based partial least squares (PLS) method utilizing transition information is proposed to give both online and offline quality predictions. First, batch processes are divided into several phases using regression parameters other than prior process knowledge. Then both steady phases and transitions which have great influences on qualities are identified as critical-to-quality phases using statistical methods. Finally, based on the analysis of different characteristics of transitions and steady phases, an integrated algorithm is developed for quality prediction. The application to an injection molding process shows the effectiveness of the proposed algorithm in comparison with the traditional MPLS method and the phase-based PLS method. 展开更多
关键词 MULTI-PHASE TRANSITION partial least squares quality prediction batch process
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最小多项式的性质及其应用 被引量:2
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作者 王莲花 王建平 +1 位作者 李艳华 白洪远 《河南教育学院学报(自然科学版)》 2004年第2期12-13,共2页
给出矩阵A的最小多项式m(λ)的两个性质:(1)n阶矩阵A的全体实系数多项式所成的线性空间W的维数等于A的最 小多项式m(λ)的次数k;(2)对于次数大于零的任意多项式f(λ),f(A)为非退化的充分必要条件是f(λ)与m(λ)互素。并举例说 明了矩阵... 给出矩阵A的最小多项式m(λ)的两个性质:(1)n阶矩阵A的全体实系数多项式所成的线性空间W的维数等于A的最 小多项式m(λ)的次数k;(2)对于次数大于零的任意多项式f(λ),f(A)为非退化的充分必要条件是f(λ)与m(λ)互素。并举例说 明了矩阵最小多项式在解决某些问题时的有效性。 展开更多
关键词 最小多项式 性质 矩阵多项式 应用
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VPLS Based Quality and Cost Control for Tennessee Eastman Process 被引量:1
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作者 宋凯 王海清 李平 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2005年第1期62-67,共6页
Product quality and operation cost control obtain increasing emphases in modern chemical system engineering. To improve the fault detection power of the partial least square (PLS) method for quality control, a new QRP... Product quality and operation cost control obtain increasing emphases in modern chemical system engineering. To improve the fault detection power of the partial least square (PLS) method for quality control, a new QRPV statistic is proposed in terms of the VP (variable importance in projection) indices of monitored process variables, which is significantly advanced over and different from the conventional Q statistic. QRPV is calculated only by the residuals of the remarkable process variables (RPVs). Therefore, it is the dominant relation between quality and RPV not all process variables (as in the case of the conventional PLS) that is monitored by this new VP-PLS (VPLS) method. The combination of QRPV and T2 statistics is applied to the quality and cost control of the Tennessee Eastman (TE) process, and weak faults can be detected as quickly as possible. Consequently, the product quality of TE process is guaranteed and operation costs are reduced. 展开更多
关键词 partial least squares method Tennessee Eastman process statistical quality control cost control on-line monitoring
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Quality-related monitoring of papermaking wastewater treatment processes using dynamic multiblock partial least squares
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作者 Jie Yang Yuchen Zhang +4 位作者 Lei Zhou Fengshan Zhang Yi Jing Mingzhi Huang Hongbin Liu 《Journal of Bioresources and Bioproducts》 EI 2022年第1期73-82,共10页
Environmental problems have attracted much attention in recent years,especially for papermak-ing wastewater discharge.To reduce the loss of effluence discharge violation,quality-related multivariate statistical method... Environmental problems have attracted much attention in recent years,especially for papermak-ing wastewater discharge.To reduce the loss of effluence discharge violation,quality-related multivariate statistical methods have been successfully applied to achieve a robust wastewater treatment system.In this work,a new dynamic multiblock partial least squares(DMBPLS)is pro-posed to extract the time-varying information in a large-scale papermaking wastewater treatment process.By introducing augmented matrices to input and output data,the proposed method not only handles the dynamic characteristic of data and reduces the time delay of fault detection,but enhances the interpretability of model.In addition,the DMBPLS provides a capability of fault location,which has certain guiding significance for fault recovery.In comparison with other mod-els,the DMBPLS has a superior fault detection result.Specifically,the maximum fault detection rate of the DMBPLS is improved by 35.93%and 12.5%for bias and drifting faults,respectively,in comparison with partial least squares(PLS). 展开更多
关键词 Dynamic multiblock partial least squares Multivariate statistical process monitoring Papermaking wastewater treatment process quality-related fault detection Sensor fault
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Quality Based Prioritized Sensor Fault Monitoring Methodology 被引量:1
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作者 宋凯 王海清 +1 位作者 李平 冯志刚 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2008年第4期584-589,共6页
To improve the detection and identification performance of the Statistical Quality Monitoring (SQM) system, a novel quality based Prioritized Sensor-Fault Detection (PSFD) methodology is proposed. Weighted by the ... To improve the detection and identification performance of the Statistical Quality Monitoring (SQM) system, a novel quality based Prioritized Sensor-Fault Detection (PSFD) methodology is proposed. Weighted by the Vp (variable importance in projection) index, which indicates the importance of the sensor variables to the quality variables, the new monitoring statistic, Qv, is developed toensure that the most vital sensor faults be detected successfully. Subsequently, the ratio between the Detectable Minimum Faulty Magnitude (DMFM) of the most important sensor and of the least important sensor is only gpmin/gpmax 〈〈 1. The Structured Residuals are designed according to the Vp index to identify and then isolate them. The theoretical findings are fully supported by simulation studies performed on the Tennessee Eastman process. 展开更多
关键词 partial least squares statistical quality monitoring Tennessee Eastman process
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Use of near-infrared spectroscopy and least-squares support vector machine to determine quality change of tomato juice 被引量:1
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作者 Li-juan XIE Yi-bin YING 《Journal of Zhejiang University-Science B(Biomedicine & Biotechnology)》 SCIE CAS CSCD 2009年第6期465-471,共7页
Near-infrared (NIR) transmittance spectroscopy combined with least-squares support vector machine (LS-SVM) was investigated to study the quality change of tomato juice during the storage. A total of 100 tomato juice s... Near-infrared (NIR) transmittance spectroscopy combined with least-squares support vector machine (LS-SVM) was investigated to study the quality change of tomato juice during the storage. A total of 100 tomato juice samples were used. The spectrum of each tomato juice was collected twice: the first measurement was taken when the tomato juice was fresh and had not undergone any changes, and the second measurement was taken after a month. Principal component analysis (PCA) was used to examine a potential capability of separating juice before and after the storage. The soluble solid content (SSC) and pH of the juice samples were determined. The results show that changes in certain compounds between tomato juice before and after the storage period were obvious. An excellent precision was achieved by LS-SVM model compared with discriminant partial least-squares (DPLS), soft independent modeling of class analogy (SIMCA), and discriminant analysis (DA) models, with 100% of a total accuracy. It can be found that NIR spectroscopy coupled with LS-SVM, DPLS, SIMCA, and DA can be used to control the quality change of tomato juice during the storage. 展开更多
关键词 Near-infrared (NIR) spectroscopy least squares-support vector machine (LS-SVM) quality change Tomato juice
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电磁发射中固体电枢的设计和实验
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作者 陶孟仙 任兆杏 《嘉应大学学报》 1996年第1期18-21,共4页
本文通过一定模型的运算,得到了选取固体电枢最小质量的根据,并通过对设计电枢进行试验,得到了一些改进电枢、提高发射效率、减少烧蚀的结果。
关键词 固体电枢 最小质量 弧压 电磁发射 欧姆热 磨擦热 等离子体
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最小二乘支持向量机在电能质量扰动分类中的应用 被引量:92
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作者 张全明 刘会金 《中国电机工程学报》 EI CSCD 北大核心 2008年第1期106-110,共5页
提出一种基于最小二乘支持向量机和小波包分解的电能质量扰动分类方法。对正常电压和几种常见电能质量扰动(电压骤升、电压骤降、电压中断、暂态脉冲、暂态振荡、谐波和电压闪变)进行小波包分解,提取各终节点小波包系数的标准偏差作为... 提出一种基于最小二乘支持向量机和小波包分解的电能质量扰动分类方法。对正常电压和几种常见电能质量扰动(电压骤升、电压骤降、电压中断、暂态脉冲、暂态振荡、谐波和电压闪变)进行小波包分解,提取各终节点小波包系数的标准偏差作为特征向量;然后,用自适应优化算法对最小二乘支持向量机进行优化;最后,利用基于优化参数和最小输出编码的最小二乘支持向量机进行分类和识别。与BP神经网络分类方法相比,该方法能克服训练时间较长、容易陷入局部最小等问题,具有较快的训练速度和较高的分类准确率,在样本数较小时仍取得较好的效果。仿真实验验证了该方法对扰动分类的有效性。 展开更多
关键词 最小二乘支持向量机 小波包 BP神经网络 电能质量 分类
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应用近红外漫反射光谱对猪肉肉糜进行定性定量检测研究 被引量:29
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作者 成芳 樊玉霞 廖宜涛 《光谱学与光谱分析》 SCIE EI CAS CSCD 北大核心 2012年第2期354-359,共6页
利用傅里叶变换近红外漫反射光谱结合不同数学建模算法对不同部位取样的猪肉肉糜进行定性判别建模,并建立猪肉肉糜品质指标脂肪、蛋白质和水分含量的定量检测模型。结果表明:不同部位取样猪肉肉糜判别分析PLSDA模型性能良好,最优模型校... 利用傅里叶变换近红外漫反射光谱结合不同数学建模算法对不同部位取样的猪肉肉糜进行定性判别建模,并建立猪肉肉糜品质指标脂肪、蛋白质和水分含量的定量检测模型。结果表明:不同部位取样猪肉肉糜判别分析PLSDA模型性能良好,最优模型校正集判别正确率为100%,预测集判别正确率为96%;比较两种方法结合,不同光谱预处理建立各品质指标的定量模型,LS-SVM模型性能优于PLSR模型,脂肪和水分含量最佳预测模型校正及预测相关系数r均高于0.9,蛋白质含量最优模型校正及预测相关系数r,RMSEC,RMSEP和RMSECV分别为0.722,0.593,1.595,1.550和1.888,模型精度需进一步提高。研究表明利用傅里叶变换近红外漫反射光谱快速判别不同部位猪肉肉糜的方法是可行的,脂肪和水分含量定量分析模型从预测精度、稳定性及适应性考虑均具一定的通用性,具有良好的市场应用前景。 展开更多
关键词 猪肉肉糜 近红外光谱 偏最小二乘 支持向量机 品质指标
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基于HPLC指纹图谱结合化学计量学评价不同产地佛手药材质量 被引量:29
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作者 郑振兴 胡瀚文 +4 位作者 曾利 杨欢 樊瑜歆 郭大乐 邓放 《中国实验方剂学杂志》 CAS CSCD 北大核心 2021年第21期174-180,共7页
目的:建立佛手的高效液相色谱法(HPLC)指纹图谱,结合化学计量学方法寻找表征不同产地佛手质量差异的标志物。方法:采用Thermo Hypersil GOLD C_(18)色谱柱(4.6 mm×250 mm,5μm),流动相0.05%磷酸水溶液-乙腈梯度洗脱,检测波长254 nm... 目的:建立佛手的高效液相色谱法(HPLC)指纹图谱,结合化学计量学方法寻找表征不同产地佛手质量差异的标志物。方法:采用Thermo Hypersil GOLD C_(18)色谱柱(4.6 mm×250 mm,5μm),流动相0.05%磷酸水溶液-乙腈梯度洗脱,检测波长254 nm,对31批佛手样品进行分析,建立指纹图谱,采用“中药色谱指纹图谱相似度评价系统”(2012版)进行相似度评价,确认共有峰,通过对照品比对对共有峰进行指认,并结合化学计量学方法对不同产地佛手质量及其控制方法进行分析和评价,同时随机收集佛手、枳实、枳壳、青皮和陈皮5种芸香科植物的饮片各3批进行分析,对建立的佛手指纹图谱的有效性和可靠性进行评价。结果:建立了佛手样品的HPLC指纹图谱,共标定了22个共有峰,通过对照品比对指认了其中7个共有峰(6,7-二甲氧基香豆素、香叶木苷、橙皮苷、白当归素、佛手柑内酯、氧化前胡素和5,7-二甲氧基香豆素);除2批样品外,其他29批佛手样品指纹图谱与对照指纹图谱的相似度均>0.9;聚类分析和主成分分析将31批佛手基本分为三类,与3个不同产地分类一致;正交偏最小二乘法-判别分析筛选得到8个差异标志物,经对照品指认了其中4个差异性成分,分别为5,7-二甲氧基香豆素、佛手柑内酯、香叶木苷和6,7-二甲氧基香豆素;以佛手对照指纹图谱为参照图谱,对5种芸香科植物的饮片的图谱进行相似度评价,佛手的相似度在0.892~0.977,其余4种饮片的相似度均在0.215~0.517。结论:该研究建立的指纹图谱方法合理、有效、准确,结合化学计量学分析方法,表征信息更加全面,可为佛手的质量控制与品质评价提供科学依据和参考。 展开更多
关键词 佛手 高效液相色谱法(HPLC)指纹图谱 化学计量学 聚类分析 主成分分析(PCA) 正交偏最小二乘法-判别分析(OPLS-DA) 质量评价
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典型双马来酰亚胺树脂固化动力学模型的研究 被引量:20
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作者 于佳 张博明 +3 位作者 王殿富 武湛君 张宝艳 陈祥宝 《复合材料学报》 EI CAS CSCD 北大核心 2004年第1期78-83,共6页
 对由二苯甲烷双马来酰亚胺与二烯丙基双酚A体系制得的典型双马来酰亚胺树脂体系的固化动力学模型进行研究,目前国内绝大多数双马来酰亚胺树脂体系都是在此基础上改性得到的。并采用DSC方法研究典型双马来酰亚胺树脂的固化过程,用恒温...  对由二苯甲烷双马来酰亚胺与二烯丙基双酚A体系制得的典型双马来酰亚胺树脂体系的固化动力学模型进行研究,目前国内绝大多数双马来酰亚胺树脂体系都是在此基础上改性得到的。并采用DSC方法研究典型双马来酰亚胺树脂的固化过程,用恒温和动态两种方法分析其固化反应。根据自催化与n级反应方程,采用least-squares方法和Kissinger方法进行数据处理,建立该树脂体系的固化动力学模型并确定其固化动力学参数,此模型与实验结果具有良好的吻合性。同时该模型揭示了典型双马来酰亚胺树脂体系的固化反应是按不同机理分段进行的,在反应过程中由自催化模型转变为n级反应模型。此模型为合理的研究双马来酰亚胺树脂体系的工艺参数,保证产品质量以及工艺优化提供了必要的前提条件。 展开更多
关键词 典型双马来酰亚胺树脂 least-squares方法 固化动力学模型
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基于AWLS-SVM的污水处理过程软测量建模 被引量:28
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作者 赵超 戴坤成 +1 位作者 王贵评 张登峰 《仪器仪表学报》 EI CAS CSCD 北大核心 2015年第8期1792-1800,共9页
针对污水处理过程建模中样本数据可能存在的测量误差对模型性能的影响,提出一种自适应加权最小二乘支持向量机(AWLS-SVM)回归的软测量建模方法。该方法基于最小二乘支持向量机模型,根据样本拟合误差,并结合改进的指数分布赋权规则,自适... 针对污水处理过程建模中样本数据可能存在的测量误差对模型性能的影响,提出一种自适应加权最小二乘支持向量机(AWLS-SVM)回归的软测量建模方法。该方法基于最小二乘支持向量机模型,根据样本拟合误差,并结合改进的指数分布赋权规则,自适应地为每个建模样本分配不同的权值,以降低随机误差对模型性能的影响;同时采用一种全局优化算法——混沌粒子群模拟退火(CPSO-SA)算法对最小二乘支持向量机的模型参数进行优化选择,以提高模型的泛化能力。仿真实验表明,AWLS-SVM模型的预测精度及鲁棒性能优于LS-SVM和WLS-SVM。最后,应用AWLS-SVM方法建立污水处理过程出水水质关键参数的软测量模型,获得了较好的效果。 展开更多
关键词 最小二乘支持向量机 污水处理过程 污水出水水质 混沌粒子群 模拟退火 软测量建模
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基于近红外技术的西洋参质量评价及产地鉴别 被引量:26
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作者 唐艳 王维皓 +1 位作者 刘江弟 杨滨 《中药材》 CAS 北大核心 2018年第3期540-545,共6页
目的:建立西洋参中水分及人参皂苷类成分近红外含量预测模型,并采用近红外光谱对西洋参样品进行产地鉴别及规格辨识。方法:以122批西洋参样品为研究对象,采集其近红外原始光谱图,经蒙特卡洛交叉验证法剔除异常样本,采用MSC+导数+Norris ... 目的:建立西洋参中水分及人参皂苷类成分近红外含量预测模型,并采用近红外光谱对西洋参样品进行产地鉴别及规格辨识。方法:以122批西洋参样品为研究对象,采集其近红外原始光谱图,经蒙特卡洛交叉验证法剔除异常样本,采用MSC+导数+Norris Derivative平滑处理等方法对原始图谱进行光谱预处理,运用偏最小二乘法,建立西洋参样品中水分、中国药典指标成分及6种人参皂苷总量的近红外定量模型;同时,基于近红外全光谱信息,采用正交偏最小二乘判别分析(OPLS-DA)法,建立西洋参不同产地和规格的辨识模型。结果:水分、中国药典指标成分及6种人参皂苷总量模型预测集的相关系数R^2pre分别为0.9757、0.9526、0.9386,预测均方根误差RMSEP分别为0.248、0.159、0.198,NIRS验证集预测值与实测值无显著性差异;OPLS-DA模型可有效辨别不同规格和产地的西洋参样品。结论:本实验所建立的近红外光谱法可实现对西洋参样品中水分和人参皂苷含量的定量分析,以及对样品产地和规格的良好区分,测定结果准确、可靠、预测精度好,可用来快速准确地评价西洋参样品的质量。 展开更多
关键词 近红外光谱技术 偏最小二乘法 正交偏最小二乘判别分析 西洋参 质量评价 产地鉴别
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