可见光/近红外光谱技术快速测定橙汁柠檬酸含量

为了快速无损测定橙汁的柠檬酸含量,提出了一种用可见光/近红外光谱技术进行检测的新方法。选用高效液相色谱法作为光谱柠檬酸测定的标定方法。采用平滑点数为5的移动平滑法对原始光谱进行预处理消除噪声。由于采集的光谱数据量非常大,为了减少建模时间,建模之前采用小波变换对经过预处理的大量光谱数据进行降维压缩,并在Matlab7.01中通过自编程序实现此变换。利用光谱专用分析软件Unscrambler 9.5,对压缩后的新变量进行分析,建立偏最小二乘(PLS)校正模型。考虑到不同小波基及分解尺度对数据压缩的影响,采用预测平方和PRESS值最小的评价标准,选择最佳的小波基Db4及分解尺度5。用于本实验的样本总数为40,其中30个样本进行建模,10个用于预测。用校正集相关系数(r)和标准偏差(SEC)作为校正模型的评价指标,预测结果采用预测相关系数(r)和预测标准偏差(SEP)来评定。文章将基于小波变换的PLS模型与直接建立的PLS模型进行了比较,偏最小二乘法结合小波变换的模型预测相关系数为r=0.901, 预测标准偏差SEP=0.937;而由PLS建立的模型其预测相关系数r=0.849,预测标准偏差SEP=1.662。由此可见,由偏最小二乘法结合小波变换所得模型效果优于单独使用偏最小二乘法的结果。     

遗传算法在检测耦合腔链各单腔频率中的应用

利用遗传算法来诊断耦合腔链的各单腔频率,不需插入活塞探针进入耦合腔链,由计算机通过微波网络分析仪,从腔链的输入波导获取通带特性数据,便可求解各单腔频率.这种方法可以简化调谐过程,并可以用来诊断密封腔链.此问题可以看作是一个非线性最优化问题,我们选择遗传算法来解决此问题,并且在遗传算法中加入了最小二乘的变异算子,使遗传算法的收敛速度和精度都得到显著改善.数值实验证实了这种算法的优越性,并且与传统的遗传算法进行了比较.     

Selection of optimal combinations of inputs in a partial least squares model for prediction of soil organic matter

Abstract

Partial least squares model is widely used in estimation of soil physical and chemical parameters such as soil organic matter and moisture content, due to its advantages in dealing with collinearity of variables like hyperspectral reflectance. However, it is hard to determine optimal combination of partial least squares model input for soil organic matter prediction since there are lots of possibilities such as, different mathematical transformation of spectral reflectance, wavelength ranges, and spectral resolution. Laboratory hyperspectral reflectance of soils in Songnen plain were analyzed in this study, and the orthogonal experimental design method for deriving optimal combination of input variables for soil organic matter prediction models was introduced. For intercalating orthogonal experimental design table, five different levels which commonly used by researchers were assigned to factors. Results show that the optimal combination input for single black soil is using the derivative logarithmic reciprocal reflectance in the wavelength range selected by multiple stepwise regression at a spectral resolution of 5?nm (R²=?0.95, RMSE?=?0.21, and RPD?=?4.49), and different soils is using continuum removed in the wavelength range selected by MSR at a spectral resolution of 5?nm (R²?=?0.77, RMSE?=?0.74, and RPD?=?2.08). With optimal combination input, the partial least squares model prediction ability was evaluated as excellent for single black soil, possible for different soils. This study illustrates the orthogonal experimental design method can be an effective way to identify the optimal input variables of a partial least squares model for soil organic matter prediction, and multiple stepwise regression can be a preprocessing step to reduce hyperspectral data redundancy before using partial least squares to predict soil organic matter. Overall, this study provides a new approach for determining optimal input of partial least squares predicting model.     

基于可见-近红外光谱技术预测茶鲜叶全氮含量

为快速无损监测茶树氮素营养及其生长状况,基于可见-近红外光谱技术建立了茶鲜叶全氮含量的预测模型。以茶鲜叶为对象,田间试验使用便携式光谱仪采集叶片漫反射光谱信息,通过不同预处理和统计分析,建立茶鲜叶全氮含量预测的光谱模型。试验共采集111个样品,其中86个样品作校正集,25个样品作预测集。通过一阶导数与滑动平均滤波相结合的预处理方法,用7个主成分建立的偏最小二乘模型最好,其校正集均方根误差(RMSEC)为0.097 3,预测集的相关系数为0.888 1,预测均方根误差(RMSEP)为0.130 4,预测的平均相对误差为4.339%。研究结果表明,利用可见-近红外光谱技术可以很好地预测茶鲜叶全氮含量,对于快速实时监测茶树长势和施肥管理具有重要指导意义。     

On spectral radii of matrices governing some numerical estimating algorithms with incomplete data

Summary Many estimating procedures are carried out with incomplete data by means of different types of EM algorithms. They allow us to obtain maximum likelihood parameter estimates in classical inference and also estimates based on the posterior mode in Bayesian inference. This paper analyzes in detail the spectral radii of the Jacobian matrices algorithm as a possible way to evaluate convergence rates. The eigenvalues of such matrices are explicitly obtained in some cases and, in all of them, a geometric convergence rate is, at least, guaranteed near the optimum. Finally, a comparison between the leading eigenvalues of EM and direct and approximate EM-Bayes algorithms may suggest the efficiency of each case.     

A note on optimality conditions for the Euclidean. Multifacility location problem

Thekey problem of the Euclidean multifacility location (EMFL) problem is to decide whether a givendead point is optimal. If it is not optimal, we wish to compute a descent direction. This paper extends the optimality conditions of Calamai and Conn and Overton to the case when the rows of the active constraints matrix are linearly dependent. We show that linear dependence occurs wheneverG, the graph of the coinciding facilities, has a cycle. In this case the key problem is formulated as a linear least squares problem with bounds on the Euclidean norms of certain subvectors.     

Consistency conditions on the least squares estimator in single common factor analysis model

Summary This paper is concerned with the consistency of estimators in a single common factor analysis model when the dimension of the observed vector is not fixed. In the model several conditions on the sample sizen and the dimensionp are established for the least squares estimator (L.S.E.) to be consistent. Under some assumptions,p/n→0 is a necessary and sufficient condition that the L.S.E. converges in probability to the true value. A sufficient condition for almost sure convergence is also given.     

The distribution of a generalized least squares estimator with covariance adjustment

The distribution theory is developed for a generalized least squares estimator of the growth curve model. A special case of the estimator is the maximum likelihood estimator which is weighted by the sample covariance matrix. The distribution of two conditional forms of the estimator are derived and from these its density is obtained. Two general pivots and their distributions are derived from the conditional forms and special cases of these are investigated. The results obtained are linked to carlier work.     

近红外光谱技术快速鉴别地沟油与食用植物油的研究

地沟油检测是我国食品安全最为关注的话题之一,它给人们的生活健康带来了极大的危害。国内现有的检测手段也仅停留在定性检测水平上,只能确定地沟油的有无,还难以进行定量检测。本实验利用近红外光谱技术与光纤传感技术相结合的新方法对勾兑混合油中地沟油的含量进行了定量分析。将煎炸老油与九三大豆油按照一定的体积比进行勾兑,共计50个样本,采集其近红外透射光谱,分别采用偏最小二乘法(PLS)和BP人工神经网络建立了煎炸老油含量的定量分析模型,校正集决定系数分别为0.908和0.934,验证集决定系数分别为0.961和0.952,均方估计残差(RMSEC)为0.184和0.136,预测均方根误差(RMSEP)都为0.111 6,符合应用要求,同时还结合主成分分析法(PCA)对煎炸老油与食用植物油进行了鉴别,识别准确率为100%。实验研究证明近红外光谱技术不仅可以准确快速的定性分析地沟油, 还能定量的检测地沟油的含量,在油脂的检测方面具有很大的应用前景。     

三维空间二阶精度流体体积界面重构方法

给出三维空间网格模板含81个单元的最小二乘流体体积界面重构方法,并和Youngs方法及网格模板含125个单元的最小二乘流体体积界面重构方法进行比较.静态和动态的测试例子均表明:该方法能精确重构任意方向的平面界面,对C²光滑曲面它能达到二阶收敛精度.和网格模板含125个单元的最小二乘流体体积界面重构方法相比,在达到同样网格精度的条件下,减少了计算量,节省了计算时间,提高了计算效率.