Search results for "Principal Component Analysis"
showing 10 items of 486 documents
Cellular automata and urban development simulation : a transition rules creation process based on statistical analysis
2015
National audience; Nowadays land use evolution study has become a major stake in urban planning. The main focus is to understand the way in which land use evolves across time and to understand processes that take place. This understanding would allow to plan urban developments based on a knowledge as complete as possible covering as many fields as possible (i.e. urban planning, politics, sociology, etc.). Simulation tools can be used to merge and display different points of view and stakes from different stakeholders (Parrott & Meyer, 2012).
Analysis of the sensitivity to the systematic error in least-squares regression models
2004
An algorithm that calculates the sensitivity to the systematic error of the fitted parameters of a least-squares regression model, with respect to the known parameters, is developed. The algorithm can be applied to mechanistic and empirical models, obtained by linear and non-linear regression, including principal component and partial least-squares. It can be useful in identifying those parameters or calibration regions that can influence other parameters and the response mostly, and thus, whose accuracy should be particularly procured. Other applications are the weighing of experimental points and the comparison of different models and regression methods in terms of its ability of amplifyi…
Authentication of protected designation of origin artichokes by spectroscopy methods
2016
Abstract Artichoke samples with the protected designation of origin (PDO) ‘Alcachofa de Benicarlo’ were discriminated from those produced in other towns surrounding Valencia and Murcia, outside the PDO frame. Inductively coupled plasma (ICP-OES), near infrared (NIR) and X-ray fluorescence (XRF) were assayed in order to achieve a correct sample classification of the three different origin sample groups (Benicarlo, Valencia and Murcia). Chemometrics was used to compare the ability of classification of artichoke from their origin by using concentration data of mineral elements, determined by ICP-OES, NIR spectra and XRF spectra. Multivariate analysis tools, as principal component analysis (PCA…
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…
Archaeopolymetallurgical study of materials from an Iberian culture site in Spain by scanning electron microscopy with X-ray microanalysis, chemometr…
2010
Abstract Archaeometallurgical materials from “La Bastida de Moixent”, a site in Valencia (Spain), from the second Iberian iron age (4th Century B.C.) have been studied using metallographic techniques, microanalysis, chemometrics and image analysis. The materials come from various phases of iron production and cupellation of argentiferous lead to obtain silver. Scanning electron microscopy (SEM) is used to determine the morphological, microstructural and topographic characteristics of the samples. Image analysis was used to obtain a numeric estimate of the main components in these materials. X-ray microanalysis (SEM/EDX) provides qualitative and quantitative information about the elements in…
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 …
Origin based classification of crude oils by infrared spectrometry and chemometrics
2019
Abstract Crude oil samples from different Iranian petrol resources in both, raw and mixture forms have been characterized by attenuated total reflectance mid infrared spectroscopy. Obtained spectra were classified by chemometric techniques to propose a method for geological based classification of crude oil samples. Totally 251 samples from 7 petrol fields and 3 mixtures were analyzed. Mean centering and principal component analysis (PCA) supported – leverage value based outlier detection were used as preprocessing approaches. PCA, cluster analysis and soft independent modeling of class analogy (SIMCA) were utilized to classify the spectra. Obtained results confirmed that SIMCA is a robust …
Botanical Origin Authentication of Polish Phacelia Honey Using the Combination of Volatile Fraction Profiling by HS-SPME and Lipophilic Fraction Prof…
2019
Eleven samples of Polish Phacelia tanacetifolia Benth., three Brassica napus and one Salix spp. honeys were characterized by melissopalynology and analysis of the compositions of their volatile fractions. Headspace solid-phase microextraction coupled with gas chromatography mass spectrometry (HS-SPME/GC–MS) using PDMS/CAR/DVB fiber was used for the isolation of low-molecular weight compounds which create a volatile fraction. To differentiate and indicate the most representative unifloral samples, chemometric techniques such as principal component analysis (PCA) and hierarchical-tree clustering (HTC) were applied to the dataset of the chromatographic fingerprints. Based on the obtained resul…
Overlapped moving windows followed by principal component analysis to extract information from chromatograms and application to classification analys…
2015
Variable generation from chromatograms is conveniently accomplished using unsupervised rather than manual techniques. With unsupervised techniques, there is no need for selecting a few peaks for manual integration and valuable information is quickly and efficiently collected. The generation of variables can be performed by using either peak searching or moving window (MW) strategies. With a MW approach, the peaks are ignored and many variables, only part of them carrying information, are generated. Thus, variable generation by MWs should be followed by data compression to generate the variables to be further used for classification or quantitation purposes. In this work, unsupervised proces…