Search results for "least squares"
showing 10 items of 268 documents
A new method for optimal synthesis of wavelet-based neural networks suitable for identification purposes
1999
Abstract This paper deals with a new method for optimal synthesis of Wavelet-Based Neural Networks (WBNN) suitable for identification purposes. The method uses a genetic algorithm (GA) combined with a steepest descent technique and least square techniques for both optimal selection of the structure of the WBNN and its training. The method is applied for designing a predictor for a chaotic temporal series
Bicausative matrices to measure structural change: Are they a good tool?
1999
The causative-matrix method to analyze temporal change assumes that a matrix transforms one Markovian transition matrix into another by a left multiplication of the first matrix; the method is demand-driven when applied to input-output economics. An extension is presented without assuming the demand-driven or supply-driven hypothesis. Starting from two flow matrices X and Y, two diagonal matrices are searched, one premultiplying and the second postmultiplying X, to obtain a result the closer as possible to Y by least squares. The paper proves that the method is deceptive because the diagonal matrices are unidentified and the interpretation of results is unclear. Keywords : Input-Output ; Ch…
Modified locally weighted—Partial least squares regression improving clinical predictions from infrared spectra of human serum samples
2012
Locally weighted partial least squares regression (LW-PLSR) has been applied to the determination of four clinical parameters in human serum samples (total protein, triglyceride, glucose and urea contents) by Fourier transform infrared (FTIR) spectroscopy. Classical LW-PLSR models were constructed using different spectral regions. For the selection of parameters by LW-PLSR modeling, a multi-parametric study was carried out employing the minimum root-mean square error of cross validation (RMSCV) as objective function. In order to overcome the effect of strong matrix interferences on the predictive accuracy of LW-PLSR models, this work focuses on sample selection. Accordingly, a novel strateg…
Processing of rock core microtomography images: Using seven different machine learning algorithms
2016
The abilities of machine learning algorithms to process X-ray microtomographic rock images were determined. The study focused on the use of unsupervised, supervised, and ensemble clustering techniques, to segment X-ray computer microtomography rock images and to estimate the pore spaces and pore size diameters in the rocks. The unsupervised k-means technique gave the fastest processing time and the supervised least squares support vector machine technique gave the slowest processing time. Multiphase assemblages of solid phases (minerals and finely grained minerals) and the pore phase were found on visual inspection of the images. In general, the accuracy in terms of porosity values and pore…
Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method
1998
Made available in DSpace on 2022-04-28T19:53:14Z (GMT). No. of bitstreams: 0 Previous issue date: 1998-01-01 A portable or field test method for simultaneous spectrophotometric determination of calcium and magnesium in water using multivariate partial least squares (PLS) calibration methods is proposed. The method is based on the reaction between the analytes and methylthymol blue at pH 11. The spectral information was used as the X-block and the Ca(II) and Mg(II) concentrations obtained by a reference technique (ICP-AES) were used as the Y-block. Two series of analyses were performed, with a month's difference between them. The first series was used as the calibration set and the second on…
Evaluation of nutritional parameters in infant formulas and powdered milk by Raman spectroscopy
2007
It has been made a critical evaluation of the application of near infrared Fourier transform-Raman spectroscopy for the simultaneous determination of the most important nutritional parameters such as energetic value, carbohydrate, protein and fat contents of infant formula and powdered milk samples based on the use of partial least squares (PLS) regression analysis. A highly heterogeneous population of 23 samples, covering a wide range of infant food formula and powdered milk, were obtained from the Spanish market. Raman spectra, obtained by excitation with a Nd:YAG laser at 1064 nm, show no disturbing fluorescence effects; therefore sample spectra can be recorded without any previous prepa…
Direct determination of minerals in human diets by infrared spectroscopy and X-ray fluorescence
2014
The use of near and mid infrared spectroscopy and X-ray fluorescence (XRF) to determine the concentration of mineral elements in Spanish human diets was investigated. Thirty-five commercial baby foods, 6 children fast food menus and 13 university canteen menu samples were analysed by infrared and XRF spectroscopy and spectra evaluated by using reference data obtained by inductively coupled plasma optical emission spectroscopy (ICP-OES). Models for calcium, potassium, iron, magnesium, sodium and zinc determination were built and validated. Spectra were pre-treated by using different pre-processing algorithms (multiplicative scatter correction, standard normal variation, first derivate, ortho…
Evaluation of infrared spectroscopy as a screening tool for serum analysis
2013
Abstract The application of attenuated total reflectance Fourier transform infrared (ATR-FT-IR) spectroscopy to the determination of clinical parameters in serum using partial least squares (PLS) has been evaluated as a point-of-care diagnostic tool. In this study the effect of using an increased size of the calibration set and the influence of the origin of samples and their interyear variation on the prediction capability of the method were considered. PLS-ATR-FT-IR provides a green, fast and cheap point-of-care tool for the determination of total protein. Albumin, glucose, urea, HDL, LDL and total cholesterol were predicted with relative errors between 15 and 32%. The analytical predicti…
Multivariate data analysis and bivariate regression studies applied to comparison of two multi-elemental methods for analysing wine samples
2002
Two inductively coupled plasma mass spectrometry (ICP-MS) methods which permit multi-elemental analysis in wine samples have been compared following two strategies. First, a multivariate tool based on principal component analysis (PCA) was employed for a global (all analytes) qualitative comparison of the two methods. A single plot based on the confidence limits of the Q and T2 PCA model statistics corresponding to the ‘standard’ method results (calibration set) was used to check the comparability of the ‘candidate’ method (test samples). The residual matrix (after test matrix interpolation into the PCA model) gives qualitative information about the nature of the main errors. This approach …
Quantitative determination of surface area of silica gel particles by near infrared spectroscopy and chemometrics
2008
Abstract Surface areas of silica gel particles have been quantitatively determined by using near infrared spectrometry and chemometrics. Surface areas of six silica gel samples with varying surface area (300–750 m2/g) have been determined by the common Brunauer–Emmett–Teller (BET) method and used in preparing mixtures of silica gel samples with varying surface area in the ranges 300–474 and 500–750 m2/g. The near infrared spectra of the mixtures were measured and the spectral profiles calibrated against the calculated surface area of the mixtures as dependent variable using partial least squares (PLS) technique. The models obtained from the calibrations were then used in predicting the surf…