Kernel Multivariate Analysis Framework for Supervised Subspace Learning: A Tutorial on Linear and Kernel Multivariate Methods

Feature extraction and dimensionality reduction are important tasks in many fields of science dealing with signal processing and analysis. The relevance of these techniques is increasing as current sensory devices are developed with ever higher resolution, and problems involving multimodal data sources become more common. A plethora of feature extraction methods are available in the literature collectively grouped under the field of Multivariate Analysis (MVA). This paper provides a uniform treatment of several methods: Principal Component Analysis (PCA), Partial Least Squares (PLS), Canonical Correlation Analysis (CCA) and Orthonormalized PLS (OPLS), as well as their non-linear extensions derived by means of the theory of reproducing kernel Hilbert spaces. We also review their connections to other methods for classification and statistical dependence estimation, and introduce some recent developments to deal with the extreme cases of large-scale and low-sized problems. To illustrate the wide applicability of these methods in both classification and regression problems, we analyze their performance in a benchmark of publicly available data sets, and pay special attention to specific real applications involving audio processing for music genre prediction and hyperspectral satellite images for Earth and climate monitoring

Data-driven Soft Sensors in the Process Industry

In the last two decades Soft Sensors established themselves as a valuable alternative to the traditional means for the acquisition of critical process variables, process monitoring and other tasks which are related to process control. This paper discusses characteristics of the process industry data which are critical for the development of data-driven Soft Sensors. These characteristics are common to a large number of process industry fields, like the chemical industry, bioprocess industry, steel industry, etc. The focus of this work is put on the data-driven Soft Sensors because of their growing popularity, already demonstrated usefulness and huge, though yet not completely realised, potential. A comprehensive selection of case studies covering the three most important Soft Sensor application fields, a general introduction to the most popular Soft Sensor modelling techniques as well as a discussion of some open issues in the Soft Sensor development and maintenance and their possible solutions are the main contributions of this work

Assessment of maximum likelihood PCA missing data imputation

Maximum likelihood principal component analysis (MLPCA) was originally proposed to incorporate measurement error variance information in principal component analysis (PCA) models. MLPCA can be used to fit PCA models in the presence of missing data, simply by assigning very large variances to the non-measured values. An assessment of maximum likelihood missing data imputation is performed in this paper, analysing the algorithm of MLPCA and adapting several methods for PCA model building with missing data to its maximum likelihood version. In this way, known data regression (KDR), KDR with principal component regression (PCR), KDR with partial least squares regression (PLS) and trimmed scores regression (TSR) methods are implemented within the MLPCA method to work as different imputation steps. Six data sets are analysed using several percentages of missing data, comparing the performance of the original algorithm, and its adapted regression-based methods, with other state-of-the-art methods.Research in this study was partially supported by the Spanish Ministry of Science and Innovation and FEDER funds from the European Union through grant DPI2011-28112-C04-02 and DPI2014-55276-C5-1R, and the Spanish Ministry of Economy and Competitiveness through grant ECO2013-43353-R.Folch Fortuny, A.; Arteaga Moreno, FJ.; Ferrer, A. (2016). Assessment of maximum likelihood PCA missing data imputation. Journal of Chemometrics. 30(7):386-393. https://doi.org/10.1002/cem.280438639330

Improving "bag-of-keypoints" image categorisation: Generative Models and PDF-Kernels

In this paper we propose two distinct enhancements to the basic ''bag-of-keypoints" image categorisation scheme proposed in [4]. In this approach images are represented as a variable sized set of local image features (keypoints). Thus, we require machine learning tools which can operate on sets of vectors. In [4] this is achieved by representing the set as a histogram over bins found by k-means. We show how this approach can be improved and generalised using Gaussian Mixture Models (GMMs). Alternatively, the set of keypoints can be represented directly as a probability density function, over which a kernel can be de ned. This approach is shown to give state of the art categorisation performance

Glucose adulteration in Saudi honey with visible and near infrared spectroscopy

This article reports on the implementation of visible and near infrared spectroscopy for the detection of glucose concentration in a mixture of Saudi and imported honey samples adulterated by glucose syrup of five concentrations: 0, 5, 12, 19, and 33 g/100 g. Honey samples were scanned in trans-reflectance mode with an AgroSpec mobile, fibre type, visible and near infrared spectrophotometer (tec5 Technology for Spectroscopy, Germany), with a measurement range of 305–2200 nm. The entire data set of 345 spectra was randomly divided into calibration (70%) and prediction (30%) sets. The first group was subjected to a partial least squares regression analysis with a leave-one-out cross-validation to establish a calibration model for the prediction of glucose concentration, whereas the second group was used to validate the partial least squares model. For the cross-validation, the values for root mean square error of prediction, coefficient of determination, and ratio of prediction deviation, which is the standard deviation divided by root mean square error of prediction were 4.52 g/100 g, 0.85, and 2.53, respectively. A slightly lower range of accuracy was obtained in the prediction set, with root mean square error of prediction, coefficient of determination, and ratio of prediction deviation values of 5.56 g/100 g, 0.78 and 2.06, respectively. The results achieved suggest that the visible and near infrared spectroscopy is a powerful technique for the quantification of glucose adulteration in Saudi honey

Statistical process monitoring of a multiphase flow facility

Industrial needs are evolving fast towards more flexible manufacture schemes. As a consequence, it is often required to adapt the plant production to the demand, which can be volatile depending on the application. This is why it is important to develop tools that can monitor the condition of the process working under varying operational conditions. Canonical Variate Analysis (CVA) is a multivariate data driven methodology which has been demonstrated to be superior to other methods, particularly under dynamically changing operational conditions. These comparative studies normally use computer simulated data in benchmark case studies such as the Tennessee Eastman Process Plant (Ricker, N.L. Tennessee Eastman Challenge Archive, Available at 〈http://depts.washington.edu/control/LARRY/TE/download.html〉 Accessed 21.03.2014). The aim of this work is to provide a benchmark case to demonstrate the ability of different monitoring techniques to detect and diagnose artificially seeded faults in an industrial scale multiphase flow experimental rig. The changing operational conditions, the size and complexity of the test rig make this case study an ideal candidate for a benchmark case that provides a test bed for the evaluation of novel multivariate process monitoring techniques performance using real experimental data. In this paper, the capabilities of CVA to detect and diagnose faults in a real system working under changing operating conditions are assessed and compared with other methodologies. The results obtained demonstrate that CVA can be effectively applied for the detection and diagnosis of faults in real complex systems, and reinforce the idea that the performance of CVA is superior to other algorithms