PLS-GRNN法近红外光谱多组分定量分析研究

研究了偏最小二乘(partial least squares ,PLS)与广义回归神经网络(generalized regression neural networks, GRNN)联用在近红外光谱多组分定量分析中的应用。以饲料样品为实验材料,采用PLS-GRNN法建立了饲料中水溶性氯化物、粗纤维、脂肪三项组分含量近红外光谱定量分析模型。马氏距离法剔除强影响点和奇异点,用PLS法将原始数据压缩为主成分,取8个主成分吸收峰与4个原始图谱特征峰值输入GRNN网络,网络光滑因子σ_i为0.1。PLS-GRNN模型对样品3个组分含量的预测决定系数(r2)分别为：0.984 0,0.987 0,0.983 0;样品平行扫描光谱预测值的标准偏差分别为：0.003 26,0.065 5,0.031 4。结果表明所建PLS-GRNN模型通过近红外光谱能够准确预测饲料中水溶性氯化物、粗纤维、脂肪三项组分含量,为近红外光谱进行多组分定量分析提供了新思路,同时为解决近红外快速检测技术在预测组分含量较低的样品时误差相对较大的问题提供了可靠的方法。     

Basic oxygen furnace steelmaking end-point prediction based on computer vision and general regression neural network

End-point prediction is one of the most difficult problems in basic oxygen furnace (BOF) steelmaking process. To address this problem, some researchers have proposed some methods based on flame image processing and pattern classification. Because of the dynamically changing flame and real-time needs during the blowing process, there are still some issues that need to be solved. We propose a novel method based on accurate and fast multi flame features extraction and general regression neural network (GRNN). Firstly, flame images were acquired, and then the background of each image was removed via color similarity determination algorithm; secondly, color, texture, and boundary features were extracted; the fast and robust boundary and texture features were extracted by using the proposed methods, and these features were tested for their validity to the end-point prediction via comparing them with some other similar methods; finally, the prediction model was built using multi-features and GRNN. The experimental results demonstrated that it is accurate and fast to use the proposed method to the BOF end-point predict.     

基于中红外光声光谱的聚合物包膜控释肥料养分释放曲线预测

以聚丙烯酸酯类系列水基聚合物包膜控释肥料为样品,测定了包膜肥料养分的释放曲线并原位测定了肥料包膜的中红外光声光谱,分析了不同肥料的养分释放曲线以及不同包膜材料的红外光声光谱特征;采用广义回归神经网络模型(GRNN),以肥料包膜红外光声光谱的主成分作为GRNN模型的输入层,并以包膜肥料养分释放曲线为输出层,构建了预测养分释放曲线的GRNN模型。结果表明,GRNN模型能快速有效地预测包膜肥料养分释放曲线,其预测相关系数(R2)达0.93以上;包膜的探测深度明显影响释放曲线的预测误差,最小预测误差为7.14%,平均为10.28%,且基于包膜表层红外光声光谱的预测误差最小。因此,结合GRNN模型,红外光声光谱可为包膜肥料养分释放曲线的快速预测提供新手段。     

基于广义回归神经网络的微生物降解效应对助燃剂检测的影响

为探究火场土壤载体中微生物降解效应对助燃剂鉴定的影响，在普通土和培养土两种土样上注射助燃剂，以密封存放时间为变量，通过静态顶空的样品预处理方式对样品内的助燃剂残留物进行气相色谱-质谱法（GC-MS）鉴定。研究发现，微生物降解效应会改变样品内助燃剂组分，不同土样内降解结果有所不同，普通土样的降解效应较培养土样明显，C9~C12直链烷烃和单取代芳香烃更易被降解，多取代芳烃的降解难度随取代基含量的增多而增加。按土样种类采用主成分分析（PCA）的方式进行数据降维后，采用广义回归神经网络（GRNN）对不同土样结果区分，准确率达100%。     

基于广义回归神经网络的强干扰下垂直阵 目标距离估计方法*

以声压场采样协方差矩阵为特征,基于广义回归神经网络(Generalized Regression Neural Network,GRNN)研究强干扰下的水下声源测距问题,提出了优化扩展因子的方法以提高神经网络定位性能。本文利用仅有一个网络参数的GRNN,使用SWellEX-96实验S59航次的垂直阵数据,比较了以传统匹配场处理(Matched Field Processing,MFP)为代表的模型驱动方法和以CNN(Convolutional Neural Networks,CNN)、GRNN为代表的数据驱动方法在强干扰下的水下目标被动定位性能。结果表明,基于优化扩展因子的GRNN网络在强干扰下可以有效实现距离估计。     

Synthesis of carbon nanotube‐based nanocomposite and application for wastewater treatment by ultrasonicated adsorption process

The sorption of methylene blue (MB) and basic yellow 28 (BY28) dyes in water on Ag@ZnO/MWCNT (Ag‐doped ZnO loaded on multiwall carbon nanotubes) nanocomposite is investigated in a batch process, optimizing starting initial dye concentration, sonication time and adsorbent mass. Isotherms and kinetic behaviours of MB and BY28 adsorption onto Ag@ZnO/MWCNT were explained by extended Freundlich and pseudo‐second‐order kinetic models. Ag@ZnO/MWCNT was synthesized and characterized using X‐ray diffraction, energy‐dispersive X‐ray spectroscopy, field emission scanning electron microscopy and Brunauer–Emmett–Teller analysis. According to the experimental data, adaptive neuro‐fuzzy inference system (ANFIS), generalized regression neural network (GRNN), backpropagation neural network (BPNN), radial basic function neural network (RBFNN) and response surface methodology (RSM) were developed, and applied to forecast the removal performance of the sorbent. The influence of process variables (i.e. sonication time, initial dye concentration, adsorbent mass) on the removal of MB and BY28 was considered by central composite rotatable design of RSM, GRNN, ANFIS, BPNN and RBFNN. The performances of the developed ANFIS, GRNN, BPNN and RBFNN models were compared with RSM mathematical models in terms of the root mean square error, coefficient of determination, absolute average deviation and mean absolute error. The coefficients of determination calculated from the validation data for ANFIS, GRNN, BPNN, RBFNN and RSM models were 0.9999, 0.9997, 0.9883, 0.9898 and 0.9608 for MB and 0.9997, 0.9990, 0.9859, 0.9895 and 0.9593 for BY28 dye, respectively. The ANFIS model was found to be more precise compared to the other models. However, the GRNN method is much easier than the ANFIS method and needs less time for analysis. So, it has potential in chemometrics and it is feasible that the GRNN algorithm could be applied to model real systems. The monolayer adsorption capacity of MB and BY28 was 292.20 and 287.02 mg g^?1, respectively.     

时间序列模型和神经网络模型在股票预测中的分析

利用MATLAB软件编程建立AR模型、RBF和GRNN神经网络模型,滚动预测上证指数开盘价、最高价、最低价和收盘价与实际价格对比,分析误差.结果表明,3种模型用于股票预测均是可行的,误差很小.AR模型不稳定,对个别预测较准;RBF和GRNN网络训练速度都很快,但GRNN比RBF预测效果好.     

生猪市场价格风险预警的GRNN建模及其实证研究

为了对生猪市场价格风险进行预警,根据我国2009年1月-2011年8月14个指标的32组样本数据,建立了广义回归神经网络(GRNN)预警模型,其中训练样本29组,测试样本3组.训练样本和测试样本的均方根误差、平均绝对误差(AAE)和相关系数都非常接近,说明建立的模型具有较强的泛化能力和鲁棒性,测试样本的AAE为0.0062,平均相对误差为2.3%,说明建立的GRNN模型具有很高的预测精度,可用于我国生猪市场价格风险预警研究和实际预测,并为政府有关部门指导生猪生产和进行市场调控提供决策依据.     

基于偏最小二乘与广义回归神经网络的近红外光谱测定土豆中3种营养成分的研究

偏最小二乘(partial least squares,PLS)与广义回归神经网络(generalized regression neural networks,GRNN)联用对土豆样品建立起粗纤维、淀粉、蛋白质含量的预测校正模型,用PLS法将原始数据压缩为主成份,取前3个主成份的12个特征吸收峰输入GRNN网络,网络光滑因子σi为0.1.PLS-GRNN模型对样品3个组分含量的预测决定系数(R2)分别为: 0.945、 0.992、 0.938.结果表明,近红外光谱技术可以快速、准确地同时测定土豆中的粗纤维、淀粉、蛋白质,该方法可应用于果蔬产业的品质管理与控制.     

基于红外热成像技术和广义回归神经网络的稻种发芽率检测方法研究

基于稻种老化时间不同时的物理学和生理学差异,提出一种基于红外热成像技术及广义回归神经网络的快速、无损检测稻种发芽率的检测方法,解决传统稻种发芽率检测方法操作复杂、实验周期长等问题。在温度为45 ℃、湿度为90%的条件下,将水稻种子依次老化0,1,2,3,4,5,6和7 d,得到不同发芽率的种子;采集稻种红外热图像,然后提取稻种胚芽部位数据,总计144份,随机分为校正集和预测集,其中校正集96份,预测集48份;分析和比较不同老化天数稻种红外热差异,从物理学和生理学方面揭示稻种发芽率与红外热图像间的关系,结合偏最小二乘算法(partial least squares, PLS)、BP(back propagation, BP)人工神经网络和广义回归神经网络(general regression neural network, GRNN),建立稻种发芽率的红外热模型。结果表明,利用GRNN建立的发芽率预测模型效果最优,其中校正集的R_C(相关系数)和SEC(标准偏差)分别为0.932 0和2.056 0,预测集R_P(相关系数)和SEP(标准偏差)分别为0.900 3和4.101 2,相关性均达到较高水平且校正集与预测集的标准偏差均较小。实验结果表明,采用红外热成像技术结合广义回归神经网络研究稻种发芽率是可行的,且所建模型在稻种发芽率快速测定方面有较高的精度。