On the relationships among latent variables and residuals in PLS path modeling: The formative-reflective scheme

A new approach for the estimation and the validation of a structural equation model with a formative-reflective scheme is presented. The basis of the paper is a proposal for overcoming a potential deficiency of PLS path modeling. In the PLS approach the reflective scheme assumed for the endogenous latent variables (LVs) is inverted; moreover, the model errors are not explicitly taken into account for the estimation of the endogenous LVs. The proposed approach utilizes all the relevant information in the formative manifest variables (MVs) providing solutions which respect the causal structure of the model. The estimation procedure is based on the optimization of the redundancy criterion. The new approach, entitled redundancy analysis approach to path modeling (RA-PM) is compared with both traditional PLS Path Modeling and LISREL methodology, on the basis of real and simulated data.     

Robust pose invariant face recognition using coupled latent space discriminant analysis

We propose a novel pose-invariant face recognition approach which we call Discriminant Multiple Coupled Latent Subspace framework. It finds the sets of projection directions for different poses such that the projected images of the same subject in different poses are maximally correlated in the latent space. Discriminant analysis with artificially simulated pose errors in the latent space makes it robust to small pose errors caused due to a subject’s incorrect pose estimation. We do a comparative analysis of three popular latent space learning approaches: Partial Least Squares (PLSs), Bilinear Model (BLM) and Canonical Correlational Analysis (CCA) in the proposed coupled latent subspace framework. We experimentally demonstrate that using more than two poses simultaneously with CCA results in better performance. We report state-of-the-art results for pose-invariant face recognition on CMU PIE and FERET and comparable results on MultiPIE when using only four fiducial points for alignment and intensity features.     

偏最小二乘回归在气温预测中的研究与应用

气温的预测要考虑多重气象因子,然而各气象因子间的多重相关性导致普通的多元回归模型失真,预测精度降低。为了解决以上问题,本研究采用偏最小二乘回归(Partial Least Squares Regression,简称PLS)建模,根据实际建模需要对算法进行改进。为了验证该模型,本研究以成都市10月份气温场为预报场,并结合成都市13个自动站气温数据,提取预报所需主要因子,进行PLS回归建模。实验表明该模型有较好的预测能力。     

基于偏最小二乘法的咳嗽信号检測

咳嗽中包含丰富的病理信息,可以为临床诊断提供重要支持。自动咳嗽检测方法有助于提高检测结果的可靠性,并减少人为工作量。但在自然记录的语音信号中,非咳嗽信号的数量远多于咳嗽,语音流中咳嗽信号的自动检测是个典型的类别不均衡问题。针对该问题,提出一种基于偏最小二乘分类法的咳嗽信号检测模型APLSCX。利用非对称偏最小二乘分类器处理类别不均衡数据的能力,对归一化的特征向量进行特征抽取,同时基于低维数据的方差调整分类平面。实验结果显示,与LCM、SVM等主流模型相比,APLSCX兼顾了小类的召回率和精度指标,具有较高的检出率和较低的误警率,更适用于自然语流中咳嗽信号的检测。     

Measurement of soybean fatty acids by near-infrared spectroscopy: Linear and nonlinear calibration methods

A key element of successful development of new soybean cultivars is availability of inexpensive and rapid methods for measurement of FA in seeds. Published research demonstrated applicability of NIR spectroscopy for FA profiling in oilseeds. The objectives of this study were to investigate the applicability of NIR spectroscopy for measurement of FA in whole soybeans and compare performance of calibration methods. Equations were developed using partial least squares (PLS), artificial neural networks (ANN), and support vector machines (SVM) regression methods. Validation results demonstrated that (i) equations for total saturates had the highest predictive ability (r ²=0.91–0.94) and were usable for quality assurance applications, (ii) palmitic acid models (r ²=0.80–0.84) were usable for certain research applications, and (iii) equations for stearic (r ²=0.49–0.68), oleic (r ²=0.76–0.81), linoleic (r ²=0.73–0.76), and linolenic (r ²=0.67–0.74) acids could be used for sample screening. The SVM models produced significantly more accurate predictions than those developed with PLS. ANN calibrations were not different from the other two methods. Reduction in the number of calibration samples reduced predictive ability of all equations. The rate of performance degradation of SVM models with sample reduction was the lowest.     

Infrared Spectroscopy-Based Chemometric Analysis for Lard Differentiation in Meat Samples

One of the most pressing concerns for the consumer market is the detection of adulteration in meat products due to their preciousness. The rapid and accurate identification mechanism for lard adulteration in meat products is highly necessary, for developing a mechanism trusted by consumers and that can be used to make a definitive diagnosis. Fourier Transform Infrared Spectroscopy (FTIR) is used in this work to identify lard adulteration in cow, lamb, and chicken samples. A simplified extraction method was implied to obtain the lipids from pure and adulterated meat. Adulterated samples were obtained by mixing lard with chicken, lamb, and beef with different concentrations (10%–50% v/v). Principal component analysis (PCA) and partial least square (PLS) were used to develop a calibration model at 800–3500 cm⁻¹. Three-dimension PCA was successfully used by dividing the spectrum in three regions to classify lard meat adulteration in chicken, lamb, and beef samples. The corresponding FTIR peaks for the lard have been observed at 1159.6, 1743.4, 2853.1, and 2922.5 cm⁻¹, which differentiate chicken, lamb, and beef samples. The wavenumbers offer the highest determination coefficient R² value of 0.846 and lowest root mean square error of calibration (RMSEC) and root mean square error prediction (RMSEP) with an accuracy of 84.6%. Even the tiniest fat adulteration up to 10% can be reliably discovered using this methodology.     

Simultaneous kinetic spectrophotometric determination of sulfide and sulfite ions by using an optode and the partial least squares (PLS) regression

The characterization of an optical sensor membrane is described for simultaneous determination of sulfite and sulfide ions based on the immobilization of crystal violet on a triacetylcellulose membrane. The absorbance of the membranes decreased by increasing sulfite and sulfide concentration. The partial least squares (PLS-1) calibration model based on spectrophotometric measurement for simultaneous determination of sulfite and sulfide ions was applied. This method is based on the difference between the rate of the reaction of sulfide and sulfite with membranes in pH 7.0 buffer solution and at 25 °C. The experimental calibration matrix for partial least squares (PLS-1) calibration was designed with 18 samples. The cross-validation method was used for selecting the number of factors. The results showed that simultaneous determination could be performed in the range of 200–2000 μg mL⁻¹ (2.5–25 mmol L⁻¹) and 80–900 μg mL⁻¹ (2.5–28.125 mmol L⁻¹) for sulfite and sulfide, respectively. The sensor can readily be regenerated with water and the color is fully reversible. The sensor was successfully applied to the simultaneous determination of sulfide and sulfite in water samples.     

Outliers detection in environmental monitoring databases

Environmental monitoring is nowadays an important task in many industrial operations. In order to comply with strong environmental laws, they have implemented monitoring systems based on a network of air quality and meteorological stations providing real-time measurements of key variables associated to the distribution of pollutants in surrounding areas. These measurements can be contaminated by outliers, which must be discarded in order to have a consistent set of data. This work presents a nonlinear procedure for outliers detection based on residual analysis of regression with Partial Least Squares and Artificial Neural Networks. In order to minimize the negative effect of outliers in the training dataset a learning algorithm with regularization is proposed. This algorithm is based on a Quasi-Newton optimization method and it was tested on a simulated nonlinear process, on real data from environmental monitoring contaminated with synthetic outliers, and finally applied to a real environmental monitoring data obtained from a monitoring station and having natural outliers. The results are encouraging and further developments are foreseen for including information from neighboring stations and emission source operation.