Search results for "Least Squares"
showing 10 items of 268 documents
Determination of total phenolic compounds in compost by infrared spectroscopy
2016
Abstract Middle and near infrared (MIR and NIR) were applied to determine the total phenolic compounds (TPC) content in compost samples based on models built by using partial least squares (PLS) regression. The multiplicative scatter correction, standard normal variate and first derivative were employed as spectra pretreatment, and the number of latent variable were optimized by leave-one-out cross-validation. The performance of PLS-ATR-MIR and PLS-DR-NIR models was evaluated according to root mean square error of cross validation and prediction (RMSECV and RMSEP), the coefficient of determination for prediction ( R pred 2 ) and residual predictive deviation (RPD) being obtained for this la…
Chemometric determination of arsenic and lead in untreated powdered red paprika by diffuse reflectance near-infrared spectroscopy.
2008
It has been evaluated the potential of near-infrared (NIR) diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) as a way for non-destructive measurement of trace elements at microg kg(-1) level in foods, with neither physical nor chemical pre-treatment. Predictive models were developed using partial least-square (PLS) multivariate approaches based on first-order derivative spectra. A critical comparison of two spectral pre-treatments, multiplicative signal correction (MSC) and standard normal variate (SNV) was also made. The PLS models built after using SNV provided the best prediction results for the determination of arsenic and lead in powdered red paprika samples. Relativ…
Near Infrared Spectroscopy Detection and Quantification of Herbal Medicines Adulterated with Sibutramine.
2015
There is an increasing demand for herbal medicines in weight loss treatment. Some synthetic chemicals, such as sibutramine (SB), have been detected as adulterants in herbal formulations. In this study, two strategies using near infrared (NIR) spectroscopy have been developed to evaluate potential adulteration of herbal medicines with SB: a qualitative screening approach and a quantitative methodology based on multivariate calibration. Samples were composed by products commercialized as herbal medicines, as well as by laboratory adulterated samples. Spectra were obtained in the range of 14,000-4000 per cm. Using PLS-DA, a correct classification of 100% was achieved for the external validatio…
Testing of the region of Murcia soils by near infrared diffuse reflectance spectroscopy and chemometrics.
2008
A partial least squares near infrared (PLS-NIR) method has been developed for the determination of several physicochemical parameters in soils from different locations of the Region of Murcia. The method was based on the proper chemometric treatment of diffuse reflectance spectra of soil samples. Reflectance spectra were scanned from samples stored in glass vials in the NIR region between 800 and 2600 nm, averaging 36 scans per spectrum at a resolution of 8 cm(-1). Models were built using reference data of 39 samples selected from a dendrogram obtained after hierarchical cluster analysis of NIR spectra of soils and prediction parameters were established from a validation set of 109 addition…
Descriptor-type Kalman Filter and TLS EXIN Speed Estimate for Sensorless Control of a Linear Induction Motor.
2014
This paper proposes a speed observer for linear induction motors (LIMs), which is composed of two parts: 1) a linear Kalman filter (KF) for the online estimation of the inductor currents and induced part flux linkage components; and 2) a speed estimator based on the total least squares (TLS) EXIN neuron. The TLS estimator receives as inputs the state variables, estimated by the KF, and provides as output the LIM linear speed, which is fed back to the KF and the control system. The KF is based on the classic space-vector model of the rotating induction machine. The end effects of the LIMs have been considered an uncertainty treated by the KF. The TLS EXIN neuron has been used to compute, in …
Separatrix reconstruction to identify tipping points in an eco-epidemiological model
2018
Many ecological systems exhibit tipping points such that they suddenly shift from one state to another. These shifts can be devastating from an ecological point of view, and additionally have severe implications for the socio-economic system. They can be caused by overcritical perturbations of the state variables such as external shocks, disease emergence, or species removal. It is therefore important to be able to quantify the tipping points. Here we present a study of the tipping points by considering the basins of attraction of the stable equilibrium points. We address the question of finding the tipping points that lie on the separatrix surface, which partitions the space of system traj…
Effects of morphometric descriptor changes on statistical classification and morphospaces
2004
Ten morphometric descriptors (five pairs of form and shape parameters) are used to describe the complex morphology of the first lower molar of two morphologically similar species, Microtus arvalis and M. agrestis. These descriptors are derived either from linear measurements or from outline analysis. The effects of these different descriptors on classical analysis as used in biology or palaeobiology are explored. First, the reliability of results in statistical classification is assessed. All of the descriptors discriminate well between the two species. The initial morphometric scheme (linear or outline) does not induce marked differences in statistical classification and the major discrepa…
A Monte Carlo study comparing PIV, ULS and DWLS in the estimation of dichotomous confirmatory factor analysis
2012
We conducted a Monte Carlo study to investigate the performance of the polychoric instrumental variable estimator (PIV) in comparison to unweighted least squares (ULS) and diagonally weighted least squares (DWLS) in the estimation of a confirmatory factor analysis model with dichotomous indicators. The simulation involved 144 conditions (1,000 replications per condition) that were defined by a combination of (a) two types of latent factor models, (b) four sample sizes (100, 250, 500, 1,000), (c) three factor loadings (low, moderate, strong), (d) three levels of non-normality (normal, moderately, and extremely non-normal), and (e) whether the factor model was correctly specified or misspecif…
Estimates of Regression Coefficients Based on the Sign Covariance Matrix
2002
SummaryA new estimator of the regression parameters is introduced in a multivariate multiple-regression model in which both the vector of explanatory variables and the vector of response variables are assumed to be random. The affine equivariant estimate matrix is constructed using the sign covariance matrix (SCM) where the sign concept is based on Oja's criterion function. The influence function and asymptotic theory are developed to consider robustness and limiting efficiencies of the SCM regression estimate. The estimate is shown to be consistent with a limiting multinormal distribution. The influence function, as a function of the length of the contamination vector, is shown to be linea…
Premature conclusions about the signal‐to‐noise ratio in structural equation modeling research : A commentary on Yuan and Fang (2023)
2023
In a recent article published in this journal, Yuan and Fang (British Journal of Mathematical and Statistical Psychology, 2023) suggest comparing structural equation modeling (SEM), also known as covariance-based SEM (CB-SEM), estimated by normal-distribution-based maximum likelihood (NML), to regression analysis with (weighted) composites estimated by least squares (LS) in terms of their signal-to-noise ratio (SNR). They summarize their findings in the statement that “[c]ontrary to the common belief that CB-SEM is the preferred method for the analysis of observational data, this article shows that regression analysis via weighted composites yields parameter estimates with much smaller stan…