Discrimination of Transgenic Rice Based on Near Infrared Reflectance Spectroscopy and Partial Least Squares Regression Discriminant Analysis

Near infrared reflectance spectroscopy （NIRS）, a non-destructive measurement technique, was combined with partial least squares regression discrimiant analysis （PLS-DA） to discriminate the transgenic （TCTP and mi166） and wild type （Zhonghua 11） rice. Furthermore, rice lines transformed with protein gene （OsTCTP） and regulation gene （Osmi166） were also discriminated by the NIRS method. The performances of PLS-DA in spectral ranges of 4 000-8 000 cm-1 and 4 000-10 000 cm-1 were compared to obtain the optimal spectral range. As a result, the transgenic and wild type rice were distinguished from each other in the range of 4 000-10 000 cm-1, and the correct classification rate was 100.0% in the validation test. The transgenic rice TCTP and mi166 were also distinguished from each other in the range of 4 000-10 000 cm-1, and the correct classification rate was also 100.0%. In conclusion, NIRS combined with PLS-DA can be used for the discrimination of transgenic rice.

Estimating Wheat Grain Protein Content Using Multi-Temporal Remote Sensing Data Based on Partial Least Squares Regression

Estimating wheat grain protein content by remote sensing is important for assessing wheat quality at maturity and making grains harvest and purchase policies. However, spatial variability of soil condition, temperature, and precipitation will affect grain protein contents and these factors usually cannot be monitored accurately by remote sensing data from single image. In this research, the relationships between wheat protein content at maturity and wheat agronomic parameters at different growing stages were analyzed and multi-temporal images of Landsat TM were used to estimate grain protein content by partial least squares regression. Experiment data were acquired in the suburb of Beijing during a 2-yr experiment in the period from 2003 to 2004. Determination coefficient, average deviation of self-modeling, and deviation of cross- validation were employed to assess the estimation accuracy of wheat grain protein content. Their values were 0.88, 1.30%, 3.81% and 0.72, 5.22%, 12.36% for 2003 and 2004, respectively. The research laid an agronomic foundation for GPC （grain protein content） estimation by multi-temporal remote sensing. The results showed that it is feasible to estimate GPC of wheat from multi-temporal remote sensing data in large area.

Characterizing and estimating rice brown spot disease severity using stepwise regression,principal component regression and partial least-square regression

Detecting plant health conditions plays a key role in farm pest management and crop protection. In this study, measurement of hyperspectral leaf reflectance in rice crop (Oryzasativa L.) was conducted on groups of healthy and infected leaves by the fungus Bipolaris oryzae (Helminthosporium oryzae Breda. de Hann) through the wavelength range from 350 to 2 500 nm. The percentage of leaf surface lesions was estimated and defined as the disease severity. Statistical methods like multiple stepwise regression, principal component analysis and partial least-square regression were utilized to calculate and estimate the disease severity of rice brown spot at the leaf level. Our results revealed that multiple stepwise linear regressions could efficiently estimate disease severity with three wavebands in seven steps. The root mean square errors (RMSEs) for training (n=210) and testing (n=53) dataset were 6.5% and 5.8%, respectively. Principal component analysis showed that the first principal component could explain approximately 80% of the variance of the original hyperspectral reflectance. The regression model with the first two principal components predicted a disease severity with RMSEs of 16.3% and 13.9% for the training and testing dataset, respec-tively. Partial least-square regression with seven extracted factors could most effectively predict disease severity compared with other statistical methods with RMSEs of 4.1% and 2.0% for the training and testing dataset, respectively. Our research demon-strates that it is feasible to estimate the disease severity of rice brown spot using hyperspectral reflectance data at the leaf level.

Simultaneous Spectrophotometric Determination of Three Components Including Deoxyschizandrin by Partial Least Squares Regression

The computer auxiliary partial least squares is introduced to simultaneously determine the contents of Deoxyschizandin, Schisandrin, r-Schisandrin in the extracted solution of wuweizi. Regression analysis of the experimental results shows that the average recovery of each component is all in the range from 98.9% to 110.3% , which means the partial least squares regression spectrophotometry can circumvent the overlappirtg of absorption spectrums of mlulti-components, so that sctisfactory results can be obtained without any scrapple pre-separation.

Partial Least Squares Regression Model to Predict Water Quality in Urban Water Distribution Systems

The water distribution system of one residential district in Tianjin is taken as an example to analyze the changes of water quality.Partial least squares(PLS) regression model,in which the turbidity and Fe are regarded as control objectives,is used to establish the statistical model.The experimental results indicate that the PLS regression model has good predicted results of water quality compared with the monitored data.The percentages of absolute relative error(below 15%,20%,30%) are 44.4%,66.7%,100%(turbidity) and 33.3%,44.4%,77.8%(Fe) on the 4th sampling point;77.8%,88.9%,88.9%(turbidity) and 44.4%,55.6%,66.7%(Fe) on the 5th sampling point.

Comparison of dimension reduction-based logistic regression models for case-control genome-wide association study:principal components analysis vs.partial least squares

With recent advances in biotechnology, genome-wide association study （GWAS） has been widely used to identify genetic variants that underlie human complex diseases and traits. In case-control GWAS, typical statistical strategy is traditional logistical regression （LR） based on single-locus analysis. However, such a single-locus analysis leads to the well-known multiplicity problem, with a risk of inflating type I error and reducing power. Dimension reduction-based techniques, such as principal component-based logistic regression （PC-LR）, partial least squares-based logistic regression （PLS-LR）, have recently gained much attention in the analysis of high dimensional genomic data. However, the perfor- mance of these methods is still not clear, especially in GWAS. We conducted simulations and real data application to compare the type I error and power of PC-LR, PLS-LR and LR applicable to GWAS within a defined single nucleotide polymorphism （SNP） set region. We found that PC-LR and PLS can reasonably control type I error under null hypothesis. On contrast, LR, which is corrected by Bonferroni method, was more conserved in all simulation settings. In particular, we found that PC-LR and PLS-LR had comparable power and they both outperformed LR, especially when the causal SNP was in high linkage disequilibrium with genotyped ones and with a small effective size in simulation. Based on SNP set analysis, we applied all three methods to analyze non-small cell lung cancer GWAS data.

A partial least-squares regression approach to land use studies in the Suzhou-Wuxi-Changzhou region

In several LUCC studies, statistical methods are being used to analyze land use data. A problem using conventional statistical methods in land use analysis is that these methods assume the data to be statistically independent. But in fact, they have the tendency to be dependent, a phenomenon known as multicollinearity, especially in the cases of few observations. In this paper, a Partial Least-Squares （PLS） regression approach is developed to study relationships between land use and its influencing factors through a case study of the Suzhou-Wuxi-Changzhou region in China. Multicollinearity exists in the dataset and the number of variables is high compared to the number of observations. Four PLS factors are selected through a preliminary analysis. The correlation analyses between land use and influencing factors demonstrate the land use character of rural industrialization and urbanization in the Suzhou-Wuxi-Changzhou region, meanwhile illustrate that the first PLS factor has enough ability to best describe land use patterns quantitatively, and most of the statistical relations derived from it accord with the fact. By the decreasing capacity of the PLS factors, the reliability of model outcome decreases correspondingly.

Boosting the partial least square algorithm for regression modelling

Boosting algorithms are a class of general methods used to improve the general periormance of regression analysis. The main idea is to maintain a distribution over the train set. In order to use the given distribution directly, a modified PLS algorithm is proposed and used as the base learner to deal with the nonlinear multivariate regression problems. Experiments on gasoline octane number prediction demonstrate that boosting the modified PLS algorithm has better general performance over the PLS algorithm.

Based on Partial Least-squares Regression to Build up and Analyze the Model of Rice Evapotranspiration

During the course of calculating the rice evapotranspiration using weather factors,we often find that some independent variables have multiple correlation.The phenomena can lead to the traditional multivariate regression model which based on least square method distortion.And the stability of the model will be lost.The model will be built based on partial least square regression in the paper,through applying the idea of main component analyze and typical correlation analyze,the writer picks up some component from original material.Thus,the writer builds up the model of rice evapotranspiration to solve the multiple correlation among the independent variables (some weather factors).At last,the writer analyses the model in some parts,and gains the satisfied result.

Quantum partial least squares regression algorithm for multiple correlation problem

Partial least squares(PLS) regression is an important linear regression method that efficiently addresses the multiple correlation problem by combining principal component analysis and multiple regression. In this paper, we present a quantum partial least squares(QPLS) regression algorithm. To solve the high time complexity of the PLS regression, we design a quantum eigenvector search method to speed up principal components and regression parameters construction. Meanwhile, we give a density matrix product method to avoid multiple access to quantum random access memory(QRAM)during building residual matrices. The time and space complexities of the QPLS regression are logarithmic in the independent variable dimension n, the dependent variable dimension w, and the number of variables m. This algorithm achieves exponential speed-ups over the PLS regression on n, m, and w. In addition, the QPLS regression inspires us to explore more potential quantum machine learning applications in future works.

A Novel Extension of Kernel Partial Least Squares Regression

Based on continuum power regression(CPR) method, a novel derivation of kernel partial least squares(named CPR-KPLS) regression is proposed for approximating arbitrary nonlinear functions.Kernel function is used to map the input variables(input space) into a Reproducing Kernel Hilbert Space(so called feature space),where a linear CPR-PLS is constructed based on the projection of explanatory variables to latent variables(components). The linear CPR-PLS in the high-dimensional feature space corresponds to a nonlinear CPR-KPLS in the original input space. This method offers a novel extension for kernel partial least squares regression(KPLS),and some numerical simulation results are presented to illustrate the feasibility of the proposed method.

Estimating canopy closure density and above-ground tree biomass using partial least square methods in Chinese boreal forests

Boreal forests play an important role in global environment systems. Understanding boreal forest ecosystem structure and function requires accurate monitoring and estimating of forest canopy and biomass. We used partial least square regression （PLSR） models to relate forest parameters, i.e. canopy closure density and above ground tree biomass, to Landsat ETM＋ data. The established models were optimized according to the variable importance for projection （VIP） criterion and the bootstrap method, and their performance was compared using several statistical indices. All variables selected by the VIP criterion passed the bootstrap test （p〈0.05）. The simplified models without insignificant variables （VIP 〈1） performed as well as the full model but with less computation time. The relative root mean square error （RMSE%） was 29% for canopy closure density, and 58% for above ground tree biomass. We conclude that PLSR can be an effective method for estimating canopy closure density and above ground biomass.

基于PLSR和LSSVM模型的土壤水分高光谱反演

为对地下采矿扰动区表层土壤水分进行反演,以大柳塔煤矿52501工作面为例,利用无人机搭载成像光谱仪获取高光谱影像,对获取的光谱数据进行对数、倒数对数、一阶和包络线去除变换,结合地面采集的128个土壤水分数据,基于偏最小二乘回归(PLSR)和最小二乘支持向量机(LSSVM)构建土壤水分预测模型并验证其预测精度。结果表明,基于一阶变换的PLSR模型和LSSVM模型预测精度相对较好,一阶变换的PLSR模型建模集R^(2)_(c)和预测集R^(2)_(p)分别为0.7021和0.6405,均方根误差RMSE_(c)和RMSE_(p)分别为1.6384%和1.1034%,相对分析误差RPD_(p)为1.7263;一阶变换的LSSVM模型建模集R^(2)_(c)和预测集R^(2)_(p)分别为0.8125和0.5979,均方根误差RMSE_(c)和RMSE_(p)分别为1.2755%和1.3459%,相对分析误差RPD_(P)为1.6323。最终基于PLSR和LSSVM模型完成了土壤水分的制图,实现了土壤水分的空间预测,为该研究区植被引导修复中土壤水分精准提升提供了空间数据支持。

优化光谱指数结合PLSR的多金属矿区土壤As含量高光谱反演

砷(As)是我国多金属矿区的主要污染物之一,对环境、农业和人类健康构成严重威胁。近地高光谱技术具有快速、动态、无损、光谱分辨率高等优势,对于多金属矿区土壤As污染监测与综合治理具有巨大应用潜力。然而,由于受污染区域、土壤背景以及高光谱质量、光谱输入量等因素影响,高光谱反演模型的适用性和精度差异较大。本研究针对湘南某多金属矿区,基于Pearson相关性分析并结合变量投影重要性(VIP)准则,提取18种变换光谱形式下的单变量特征波段及4种光谱指数算法下的优化光谱指数作为光谱输入量,建立偏最小二乘回归(PLSR)模型,实现了矿区土壤As含量反演。结果表明:倒数(RT)、对数(L)、平方根(Sqrt)、标准正态变量变换二阶导(SNV_SD)等变换后的光谱数据与As含量具有较高的相关性;优化光谱指数能从二维光谱空间揭示As的光谱响应,相较于单变量特征波段,以优化光谱指数为自变量构建的模型性能更优;比值指数(RI)模型的R_(c)^(2)、RMSE_(c)、R_(p)^(2)、RMSE_(p)、RPD分别为0.908、50.8 mg/kg、0.949、35.6 mg/kg、4.45,是研究区土壤As含量反演的最优模型。单变量特征波段结合优化光谱指数预测土壤As含量具有较好的可行性,可为多金属矿区土壤As污染高光谱快速监测提供科学依据。

基于PLSR方法的马铃薯叶片氮素含量机载高光谱遥感反演

作物氮素状况是评价土壤肥力和作物长势的重要指标,叶片氮素状况的实时无损估测对合理氮素管理、提高产量和改善品质具有重要意义。本文选择不同氮处理条件下的马铃薯作为研究对象,利用AISAEagle机载高光谱成像系统获取试验区的高光谱图像,在对图像进行精确的几何、辐射校正和反射光谱重建基础上,提取每个处理马铃薯冠层的高光谱数据。选取波长430-910nm范围内原始光谱R及其D1（R）、D2（R）、Log（1/R）、DLog（1/R）、D2Log（1/R）5种变式数据,根据田间同步采样叶片的氮素含量数据,利用偏最小二乘回归法（PLSR）构建了马铃薯叶片氮素含量的光谱预测模型,并进行全氮含量填图。结果表明：基于一阶导数光谱D1（R）的偏最小二乘回归模型的效果最优,决定系数（R2）和校正均方差（RMSEC）分别为0.82、0.38%。将该最优估算模型应用到整个高光谱图像上,得到试验区马铃薯叶片全氮分布图,图像上氮的值域为3.35%-5.95%,与地面实测结果3.59%-5.89%基本一致,且叶片全氮值的大小分布与马铃薯长势分布一致。研究结果可为研制和开发基于高光谱成像技术的马铃薯叶片氮素预测方法提供理论和技术支持。

香气活度值法结合PLSR用于梨酒特征香气物质筛选与鉴定

采用固相微萃取-气相色谱-质谱对市售3种梨酒香气物质进行分离鉴定,共检出43种挥发性成分,其中醇类16种、酯类15种、醛类4种、酮类2种、酚类1种、酸类3种和其他化合物2种。结合香气活度值(odor activity value,OAV)和偏最小二乘回归(partial least squares regression,PLSR)确定梨酒特征香气物质并推断其对梨酒香气的贡献程度。OAV结果表明:梨酒特征香气物质主要为异丁醇、1-辛醇、1-壬醇、苯乙醇、丁酸乙酯、3-甲基丁酸乙酯、乙酸异戊酯、己酸乙酯、辛酸乙酯、β-大马士酮、丁香酚。建立6个感官属性(发酵香、酸香、果香、花香、甜香、清香)与43种香气物质的PLSR模型表明,苯甲醇、正丁醇、丁二酸二乙酯的OAV小于1,但对梨酒的香气有贡献,经OAV确定的梨酒特征香气物质与发酵香和甜香属性具有很好的相关性,而在清香、酸香、果香和花香上的相关性不明显。

基于PLSR的陕北土壤盐分高光谱反演

选取陕北盐渍土为研究对象,通过采集高光谱数据及土壤样品测定,研究土壤盐分含量与反射率之间相关性,遴选盐分特征波段,利用常规回归分析及偏最小二乘回归分析建立土壤盐分的定量反演模型,并利用检验样点进行对比分析和精度检验。研究结果表明,482 nm,1 365 nm,1 384 nm,2 202 nm及2 353 nm为土壤盐分含量的特征波段,利用高光谱数据进行盐分定量反演具有良好的精度;精度检验结果表明,通过Matlab进行偏最小二乘回归计算的反演模型,实测值与预测值相关性更好,精度较高。

基于非线性PLSR模型的气候变化对粮食产量的影响分析

考虑气候因子间多重共线性及其与粮食产量间复杂的非线性关系,本文在HP滤波分离出气候产量的基础上,尝试引入基于三次B样条变换(Spline-PLSR)和内部嵌入GRNN的两种非线性偏最小二乘模型(GRNN-PLSR),利用1961-2008年气候因子数据建立气候产量计算模型,以2009—2013年数据进行拟合检验,并与常用的C-D生产函数法计算的气候产量进行比较。结果表明,Spline-PLSR法在拟合气候因子变化对粮食产量影响时预测精度较高。而且,与C-D生产函数法相比,Spline-PLSR所需要素较少,操作简单,相对误差最高仅为13.6%;与GRNN-PLSR法拟合结果相比,Spline-PLSR相对误差波动较小,因此,基于三次B样条变换的非线性偏最小二乘法建模较适合拟合气候产量。

利用PLSR-DNN耦合模型预测TBM净掘进速率

科学预测隧道掘进机(TBM)净掘进速率,对于隧道(洞)工程施工方法选择、施工进度安排以及成本估计具有重要意义。鉴于TBM施工过程具有高度非线性、模糊性和复杂性等特征,为提高TBM净掘进速率的预测精度和计算效率,采用偏最小二乘回归(PLSR)提取影响参数主成分,再利用深度神经网络(DNN)进行训练预测,提出了一种基于PLSR-DNN耦合方法的TBM净掘进速率预测模型。基于兰州水源地建设工程输水隧洞双护盾TBM施工实测数据,选择岩石单轴抗压强度、单轴抗拉强度、刀盘推力、刀盘转速、岩体完整性系数和岩石耐磨性指数,共6个影响参数,验证了模型预测的合理性,并对不同预测方法的拟合精度和预测精度进行了对比分析。研究结果表明:(1)偏最小二乘回归可有效克服自变量之间的多重共线性问题,将提取的主成分作为深度神经网络的输入层进行训练,简化了神经网络结构;(2)PLSR-DNN耦合预测模型避免了过拟合与拟合不足问题,具有收敛速度快,求解稳定和拟合精度高等特点;(3)PLSR-DNN耦合预测模型平均相对拟合误差2.96%,平均相对预测误差3.27%,其拟合精度和预测精度均明显高于偏最小二乘回归模型、BP神经网络模型以及支持向量回归(SVR)模型。