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1.
Sensors (Basel) ; 24(11)2024 May 28.
Artigo em Inglês | MEDLINE | ID: mdl-38894267

RESUMO

When magnetic matching aided navigation is applied to an underwater vehicle, the magnetometer must be installed inside the vehicle, considering the navigation safety and concealment of the underwater vehicle. Then, the interference magnetic field will seriously affect the accuracy of geomagnetic field measurement, which directly affects the accuracy of geomagnetic matching aided navigation. Therefore, improving the accuracy of geomagnetic measurements inside the vehicle through error compensation has become one of the most difficult problems that requires an urgent solution in geomagnetic matching aided navigation. In order to solve this problem, this paper establishes the calculation model of the internal magnetic field of the underwater vehicle and the geomagnetic measurement error model of the ship-borne magnetometer. Then, a compensation method for the geomagnetic measurement error of the ship-borne magnetometer, based on the constrained total least square method, is proposed. To verify the effectiveness of the method proposed in this paper, a simulation experiment of geomagnetic measurement and compensation of a ship-borne three-axis magnetometer was constructed. Among them, to be closer to the real situation, a combination of the geomagnetism model, the elliptic shell model and the magnetic dipole model was used to simulate the internal magnetic field of the underwater vehicle. The experimental results indicated that the root mean square error of geomagnetic measurement in an underwater vehicle was less than 5 nT after compensation, and the accuracy of geomagnetic measurement met the requirements of geomagnetic matching aided navigation.

2.
Sensors (Basel) ; 23(5)2023 Feb 24.
Artigo em Inglês | MEDLINE | ID: mdl-36904749

RESUMO

In this paper, we consider the gain-phase error calibration problem for uniform linear arrays (ULAs). Based on the adaptive antenna nulling technique, a new gain-phase error pre-calibration method is proposed, requiring only one calibration source with known direction of arrival (DOA). In the proposed method, a ULA with M array elements is divided into M-1 sub-arrays, and the gain-phase error of each sub-array can be uniquely extracted one by one. Furthermore, in order to obtain the accurate gain-phase error in each sub-array, we formulate an errors-in-variables (EIV) model and present a weighted total least-squares (WTLS) algorithm by exploiting the structure of the received data on sub-arrays. In addition, the solution to the proposed WTLS algorithm is exactly analyzed in the statistical sense, and the spatial location of the calibration source is also discussed. Simulation results demonstrate the efficiency and feasibility of our proposed method in both large-scale and small-scale ULAs and the superiority to some state-of-the-art gain-phase error calibration approaches.

3.
Sensors (Basel) ; 22(23)2022 Dec 02.
Artigo em Inglês | MEDLINE | ID: mdl-36502110

RESUMO

Infrared Earth sensors with large-field-of-view (FOV) cameras are widely used in low-Earth-orbit satellites. To improve the accuracy and speed of Earth sensors, an algorithm based on modified random sample consensus (RANSAC) and weighted total least squares (WTLS) is proposed. Firstly, the modified RANSAC with a pre-verification step was used to remove the noisy points efficiently. Then, the Earth's oblateness was taken into consideration and the Earth's horizon was projected onto a unit sphere as a three-dimensional (3D) curve. Finally, the TLS and WTLS were used to fit the projection of the Earth horizon. With the help of TLS and WTLS, the accuracy of the Earth sensor was greatly improved. Simulated images and on-orbit infrared images obtained via the satellite Tianping-2B were used to assess the performance of the algorithm. The experimental results demonstrate that the method outperforms RANSAC, M-estimator sample consensus (MLESAC), and Hough transformation in terms of speed. The accuracy of the algorithm for nadir estimation is approximately 0.04° (root-mean-square error) when Earth is fully visible and 0.16° when the off-nadir angle is 120°, which is a significant improvement upon other nadir estimation algorithms.


Assuntos
Algoritmos , Planeta Terra , Análise dos Mínimos Quadrados
4.
Sensors (Basel) ; 22(20)2022 Oct 18.
Artigo em Inglês | MEDLINE | ID: mdl-36298290

RESUMO

A geodetic reference frame is a fundamental element in geoinformation fields such as autonomous navigation and digital twins. The international terrestrial reference frame is established and maintained using several space-geodetic techniques, including very long baseline interferometry (VLBI) and satellite laser ranging (SLR). For several decades, geodesists have been devoted to connecting these two sensors at a site (local tie). The reference point of the VLBI antenna and SLR telescope, called invariant point (IVP), should be precisely determined to connect these two solutions. We developed an innovative integrated model to estimate the IVP, which is composed of spherical and conical models, depending on the rotational axis. In this model, all target points in 3D spaces were directly connected to the IVP; thus, the stability and robustness of the system were secured. Furthermore, all inherent errors in the coordinates were predicted by applying the total least-squares approach.

5.
Environ Monit Assess ; 194(11): 840, 2022 Sep 28.
Artigo em Inglês | MEDLINE | ID: mdl-36171300

RESUMO

Land use regression (LUR) models are one of the standard methods for estimating air pollution concentration in urban areas. These models are usually low accurate due to inappropriate stochastic models (weight matrix). Furthermore, the measurement or modeling of dependent and independent variables used in LUR models is affected by various errors, which indicates the need to use an efficient stochastic and functional model to achieve the best estimation. This study proposes a locally weighted total least-squares variance component estimation (LW-TLS-VCE) for modeling urban air pollution. In the proposed method, in the first step, a locally weighted total least-squares (LW-TLS) regression is developed to simultaneously considers the non-stationary effects and errors of dependent and independent variables. In the second step, the variance components of the stochastic model are estimated to achieve the best linear unbiased estimation of unknowns. The efficiency of the proposed method is evaluated by modeling PM2.5 concentrations via meteorological, land use, and traffic variables in Isfahan, Iran. The benefits provided by the proposed method, including considering non-stationary effects and random errors of all variables, besides estimating the actual variance of observations, are evaluated by comparing four consecutive methods. The obtained results demonstrate that using a suitable stochastic and functional model will significantly increase the proposed method's efficiency in PM2.5 modeling.


Assuntos
Poluentes Atmosféricos , Poluição do Ar , Poluentes Atmosféricos/análise , Poluição do Ar/análise , Monitoramento Ambiental/métodos , Análise dos Mínimos Quadrados , Material Particulado/análise
6.
IEEE Trans Signal Process ; 68: 2870-2882, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-33746467

RESUMO

Graphs are pervasive in different fields unveiling complex relationships between data. Two major graph-based learning tasks are topology identification and inference of signals over graphs. Among the possible models to explain data interdependencies, structural equation models (SEMs) accommodate a gamut of applications involving topology identification. Obtaining conventional SEMs though requires measurements across nodes. On the other hand, typical signal inference approaches 'blindly trust' a given nominal topology. In practice however, signal or topology perturbations may be present in both tasks, due to model mismatch, outliers, outages or adversarial behavior. To cope with such perturbations, this work introduces a regularized total least-squares (TLS) approach and iterative algorithms with convergence guarantees to solve both tasks. Further generalizations are also considered relying on structured and/or weighted TLS when extra prior information on the perturbation is available. Analyses with simulated and real data corroborate the effectiveness of the novel TLS-based approaches.

7.
Sensors (Basel) ; 20(14)2020 Jul 14.
Artigo em Inglês | MEDLINE | ID: mdl-32674339

RESUMO

This paper proposes a method for determining the vertical deformations treated as random fields. It is assumed that the monitored surfaces are subject not only to deterministic deformations, but also to random fluctuations. Furthermore, the existence of random noise coming from surface's vibrations is also assumed. Such noise disturbs the deformation's functional models. Surface monitoring with the use of the geodetic levelling network of a free control network class is carried out. Assuming that, in some cases, the control networks are insufficient in surface's deformation analysis, additional and non-measurable reference points have been provided. The prediction of these points' displacements and estimation of the free control network points' displacement are carried out using the collocation method applying the total least squares adjustment. The proposed theoretical solutions were verified by the simulation methods and on the example of a real control network.

8.
Sensors (Basel) ; 20(22)2020 Nov 16.
Artigo em Inglês | MEDLINE | ID: mdl-33207821

RESUMO

This paper proposes a time difference of arrival (TDOA) passive positioning sensor selection method based on tabu search to balance the relationship between the positioning accuracy of the sensor network and system consumption. First, the passive time difference positioning model, taking into account the sensor position errors, is considered. Then, an approximate closed-form constrained total least-squares (CTLS) solution and a covariance matrix of the positioning error are provided. By introducing a Boolean selection vector, the sensor selection problem is transformed into an optimization problem that minimizes the trace of the positioning error covariance matrix. Thereafter, the tabu search method is employed to solve the transformed sensor selection problem. The simulation results show that the performance of the proposed sensor optimization method considerably approximates that of the exhaustive search method. Moreover, it can significantly reduce the running time and improve the timeliness of the algorithm.

9.
Sensors (Basel) ; 19(19)2019 Oct 08.
Artigo em Inglês | MEDLINE | ID: mdl-31597302

RESUMO

Structural damage is inevitable due to the structural aging and disastrous external excitation. The auto-regressive (AR) based method is one of the most widely used methods for structural damage identification. In this regard, the classical least-squares algorithm is often utilized to solve the AR model. However, this algorithm generally could not take all the observed noises into account. In this study, a partial errors-in-variables (EIV) model is used so that both the current and prior observation errors are considered. Accordingly, a total least-squares (TLSE) solution is introduced to solve the partial EIV model. The solution estimates and accounts for the correlations between the current observed data and the design matrix. An effective damage indicator is chosen to count for damage levels of the structures. Both mathematical and finite element simulation results show that the proposed TLSE method yields better accuracy than the classical LS method and the AR model. Finally, the response data of a high-rise building shaking table test is used for demonstrating the effectiveness of the proposed method in identifying the location and damage degree of a model structure.

10.
BMC Bioinformatics ; 19(1): 451, 2018 Nov 26.
Artigo em Inglês | MEDLINE | ID: mdl-30477444

RESUMO

BACKGROUND: The response of many biomedical systems can be modelled using a linear combination of damped exponential functions. The approximation parameters, based on equally spaced samples, can be obtained using Prony's method and its variants (e.g. the matrix pencil method). This paper provides a tutorial on the main polynomial Prony and matrix pencil methods and their implementation in MATLAB and analyses how they perform with synthetic and multifocal visual-evoked potential (mfVEP) signals. This paper briefly describes the theoretical basis of four polynomial Prony approximation methods: classic, least squares (LS), total least squares (TLS) and matrix pencil method (MPM). In each of these cases, implementation uses general MATLAB functions. The features of the various options are tested by approximating a set of synthetic mathematical functions and evaluating filtering performance in the Prony domain when applied to mfVEP signals to improve diagnosis of patients with multiple sclerosis (MS). RESULTS: The code implemented does not achieve 100%-correct signal approximation and, of the methods tested, LS and MPM perform best. When filtering mfVEP records in the Prony domain, the value of the area under the receiver-operating-characteristic (ROC) curve is 0.7055 compared with 0.6538 obtained with the usual filtering method used for this type of signal (discrete Fourier transform low-pass filter with a cut-off frequency of 35 Hz). CONCLUSIONS: This paper reviews Prony's method in relation to signal filtering and approximation, provides the MATLAB code needed to implement the classic, LS, TLS and MPM methods, and tests their performance in biomedical signal filtering and function approximation. It emphasizes the importance of improving the computational methods used to implement the various methods described above.


Assuntos
Algoritmos , Potenciais Evocados Visuais , Adulto , Feminino , Análise de Fourier , Humanos , Análise dos Mínimos Quadrados , Masculino , Esclerose Múltipla/diagnóstico , Linguagens de Programação , Adulto Jovem
11.
Magn Reson Med ; 79(1): 561-567, 2018 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-28349618

RESUMO

PURPOSE: The linear least squares (LLS) estimator provides a fast approach to parameter estimation in the linearized two-compartment exchange model. However, the LLS method may introduce a bias through correlated noise in the system matrix of the model. The purpose of this work is to present a new estimator for the linearized two-compartment exchange model that takes this noise into account. METHOD: To account for the noise in the system matrix, we developed an estimator based on the weighted total least squares (WTLS) method. Using simulations, the proposed WTLS estimator was compared, in terms of accuracy and precision, to an LLS estimator and a nonlinear least squares (NLLS) estimator. RESULTS: The WTLS method improved the accuracy compared to the LLS method to levels comparable to the NLLS method. This improvement was at the expense of increased computational time; however, the WTLS was still faster than the NLLS method. At high signal-to-noise ratio all methods provided similar precisions while inconclusive results were observed at low signal-to-noise ratio. CONCLUSION: The proposed method provides improvements in accuracy compared to the LLS method, however, at an increased computational cost. Magn Reson Med 79:561-567, 2017. © 2017 International Society for Magnetic Resonance in Medicine.


Assuntos
Processamento de Imagem Assistida por Computador , Imageamento por Ressonância Magnética , Algoritmos , Encéfalo/diagnóstico por imagem , Mapeamento Encefálico , Calibragem , Simulação por Computador , Meios de Contraste/química , Imagem de Difusão por Ressonância Magnética , Humanos , Análise dos Mínimos Quadrados , Distribuição Normal , Razão Sinal-Ruído
12.
Sensors (Basel) ; 18(11)2018 Nov 02.
Artigo em Inglês | MEDLINE | ID: mdl-30400240

RESUMO

The development of smart cities calls for improved accuracy in navigation and positioning services; due to the effects of satellite orbit error, ionospheric error, poor quality of navigation signals and so on, it is difficult for existing navigation technology to achieve further improvements in positioning accuracy. Distributed cooperative positioning technology can further improve the accuracy of navigation and positioning with existing GNSS (Global Navigation Satellite System) systems. However, the measured range error and the positioning error of the cooperative nodes exhibit larger reductions in positioning accuracy. In response to this question, this paper proposed a factor graph-aided distributed cooperative positioning algorithm. It establishes the confidence function of factor graphs theory with the ranging error and the positioning error of the coordinated nodes and then fuses the positioning information of the coordinated nodes by the confidence function. It can avoid the influence of positioning error and ranging error and improve the positioning accuracy of cooperative nodes. In the simulation part, the proposed algorithm is compared with a mainly coordinated positioning algorithm from four aspects: the measured range error, positioning error, convergence speed, and mutation error. The simulation results show that the proposed algorithm leads to a 30⁻60% improvement in positioning accuracy compared with other algorithms under the same measured range error and positioning error. The convergence rate and mutation error elimination times are only 1 / 5 to 1 / 3 of the other algorithms.

13.
Mol Biol Evol ; 32(5): 1354-64, 2015 May.
Artigo em Inglês | MEDLINE | ID: mdl-25589738

RESUMO

Species in the genus Plasmodium cause malaria in humans and infect a variety of mammals and other vertebrates. Currently, estimated ages for several mammalian Plasmodium parasites differ by as much as one order of magnitude, an inaccuracy that frustrates reliable estimation of evolutionary rates of disease-related traits. We developed a novel statistical approach to dating the relative age of evolutionary lineages, based on Total Least Squares regression. We validated this lineage dating approach by applying it to the genus Drosophila. Using data from the Drosophila 12 Genomes project, our approach accurately reconstructs the age of well-established Drosophila clades, including the speciation event that led to the subgenera Drosophila and Sophophora, and age of the melanogaster species subgroup. We applied this approach to hundreds of loci from seven mammalian Plasmodium species. We demonstrate the existence of a molecular clock specific to individual Plasmodium proteins, and estimate the relative age of mammalian-infecting Plasmodium. These analyses indicate that: 1) the split between the human parasite Plasmodium vivax and P. knowlesi, from Old World monkeys, occurred 6.1 times earlier than that between P. falciparum and P. reichenowi, parasites of humans and chimpanzees, respectively; and 2) mammalian Plasmodium parasites originated 22 times earlier than the split between P. falciparum and P. reichenowi. Calibrating the absolute divergence times for Plasmodium with eukaryotic substitution rates, we show that the split between P. falciparum and P. reichenowi occurred 3.0-5.5 Ma, and that mammalian Plasmodium parasites originated over 64 Ma. Our results indicate that mammalian-infecting Plasmodium evolved contemporaneously with their hosts, with little evidence for parasite host-switching on an evolutionary scale, and provide a solid timeframe within which to place the evolution of new Plasmodium species.


Assuntos
Evolução Molecular , Interações Hospedeiro-Parasita/genética , Malária Falciparum/genética , Plasmodium falciparum/genética , Animais , Humanos , Malária Falciparum/parasitologia , Pan troglodytes/genética , Filogenia , Plasmodium falciparum/patogenicidade , Plasmodium vivax/genética , Plasmodium vivax/patogenicidade , Alinhamento de Sequência
14.
J Xray Sci Technol ; 24(5): 749-760, 2016 10 06.
Artigo em Inglês | MEDLINE | ID: mdl-27080361

RESUMO

An ultrasonic image speckle noise removal method by using total least squares model is proposed and applied onto images of cardiovascular structures such as the carotid artery. On the basis of the least squares principle, the related principle of minimum square method is applied to cardiac ultrasound image speckle noise removal process to establish the model of total least squares, orthogonal projection transformation processing is utilized for the output of the model, and the denoising processing for the cardiac ultrasound image speckle noise is realized. Experimental results show that the improved algorithm can greatly improve the resolution of the image, and meet the needs of clinical medical diagnosis and treatment of the cardiovascular system for the head and neck. Furthermore, the success in imaging of carotid arteries has strong implications in neurological complications such as stroke.


Assuntos
Artérias Carótidas/diagnóstico por imagem , Ultrassonografia/métodos , Algoritmos , Humanos , Análise dos Mínimos Quadrados
15.
Sensors (Basel) ; 15(12): 30126-41, 2015 Dec 02.
Artigo em Inglês | MEDLINE | ID: mdl-26633416

RESUMO

This paper proposes a novel pupil and glint detection method for gaze tracking system using a wearable camera sensor and near-infrared LED array. A novel circular ring rays location (CRRL) method is proposed for pupil boundary points detection. Firstly, improved Otsu optimal threshold binarization, opening-and-closing operation and projection of 3D gray-level histogram are utilized to estimate rough pupil center and radius. Secondly, a circular ring area including pupil edge inside is determined according to rough pupil center and radius. Thirdly, a series of rays are shot from inner to outer ring to collect pupil boundary points. Interference points are eliminated by calculating gradient amplitude. At last, an improved total least squares is proposed to fit collected pupil boundary points. In addition, the improved total least squares developed is utilized for the solution of Gaussian function deformation to calculate glint center. The experimental results show that the proposed method is more robust and accurate than conventional detection methods. When interference factors such as glints and natural light reflection are located on pupil contour, pupil boundary points and center can be detected accurately. The proposed method contributes to enhance stability, accuracy and real-time quality of gaze tracking system.


Assuntos
Fixação Ocular/fisiologia , Processamento de Imagem Assistida por Computador/métodos , Pupila/fisiologia , Desenho de Equipamento , Humanos , Raios Infravermelhos , Análise dos Mínimos Quadrados
16.
Appl Spectrosc ; 77(9): 1025-1032, 2023 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-37448330

RESUMO

In a Fourier transform infrared (IR) spectrometer, the Michelson interference signal extrapolation method based on linear prediction is often used to improve spectral resolution. In this method, an autoregressive (AR) model is established for the Michelson interference signal in the spectrometer. Once the AR model parameters are determined, the AR process is predictable. The interference signal can be used to figure out the AR model's parameters. Based on this, the AR model can be used to extrapolate the interference signal to improve the spectral resolution. In this paper, the forward-backward linear prediction total least squares (FB-TLS) method is proposed to estimate the parameters of the AR model. The parameters that are estimated are used to improve the IR spectral resolution. By simulating different order and signal-to-noise ratio situations, the effects of the Burg, the least square, and the FB-TLS parameter estimation methods on spectral resolution enhancement are studied. The simulation results demonstrate that the FB-TLS parameter estimation method can effectively suppress noise and avoid spurious peaks. The experimental results demonstrate that the FB-TLS parameter estimation method is effective for spectral resolution enhancement technology based on linear prediction. When the FB-TLS method is used to enhance NH3 IR spectral resolution from 2 cm-1 to 1 cm-1, the spectral prediction error in the NH3 characteristic band is only 0.21% compared with the measured NH3 spectrum, whose spectral resolution is 1 cm-1.

17.
Artigo em Inglês | MEDLINE | ID: mdl-34281053

RESUMO

Land use regression (LUR) models are used for high-resolution air pollution assessment. These models use independent parameters based on an assumption that these parameters are accurate and invariable; however, they are observational parameters derived from measurements or modeling. Therefore, the parameters are commonly inaccurate, with nonstationary effects and variable characteristics. In this study, we propose a geographically weighted total least squares regression (GWTLSR) to model air pollution under various traffic, land use, and meteorological parameters. To improve performance, the proposed model considers the dependent and independent variables as observational parameters. The GWTLSR applies weighted total least squares in order to take into account the variable characteristics and inaccuracies of observational parameters. Moreover, the proposed model considers the nonstationary effects of parameters through geographically weighted regression (GWR). We examine the proposed model's capabilities for predicting daily PM2.5 concentration in Isfahan, Iran. Isfahan is a city with severe air pollution that suffers from insufficient data for modeling air pollution with conventional LUR techniques. The advantages of the model features, including consideration of the variable characteristics and inaccuracies of predictors, are precisely evaluated by comparing the GWTLSR model with ordinary least squares (OLS) and GWR models. The R2 values estimated by the GWTLSR model during the spring and autumn are 0.84 and 0.91, respectively. The corresponding average R2 values estimated by the OLS model during the spring and autumn are 0.74 and 0.69, respectively, and the R2 values estimated by the GWR model are 0.76 and 0.70, respectively. The results demonstrate that the proposed functional model efficiently described the physical nature of the relationships among air pollutants and independent variables.


Assuntos
Poluentes Atmosféricos , Poluição do Ar , Poluentes Atmosféricos/análise , Poluição do Ar/análise , Cidades , Monitoramento Ambiental , Irã (Geográfico) , Análise dos Mínimos Quadrados , Material Particulado/análise , Regressão Espacial
18.
J Microbiol Methods ; 149: 20-28, 2018 06.
Artigo em Inglês | MEDLINE | ID: mdl-29704521

RESUMO

Modelling methods applied in predictive microbiology generally neglect the importance of uncertainty on the measurement of the independent variables. The Ordinary Least Squares (OLS) method that is commonly applied in predictive microbiology is only applicable if the experimental error on the inputs of the model are insignificant. However, this does not apply for many types of experimental measurements of the independent variables. Therefore, a parameter estimation method was adapted in this research for the estimation of the parameters of secondary models, taking into account uncertainty on the measurement of the influencing food characteristics. This parameter estimation method was based on the work of Stortelder (1996) and is referred to as the Weighted Total Least Squares method (WTLS). The method is formulised as an extension of the commonly used OLS method. Consequently the current WTLS method (i) is easily implemented using similar numerical methods, (ii) reduces to an OLS method when the measurement error on the model inputs is negligible and (iii) enables the evaluation of the accuracy of the model parameter estimates based on the same approximations.


Assuntos
Ácido Acético/farmacologia , Escherichia coli K12/efeitos dos fármacos , Escherichia coli K12/crescimento & desenvolvimento , Modelos Biológicos , Reatores Biológicos , Simulação por Computador , Microbiologia de Alimentos , Concentração de Íons de Hidrogênio , Análise dos Mínimos Quadrados , Temperatura
19.
J Res Natl Inst Stand Technol ; 111(2): 113-9, 2006.
Artigo em Inglês | MEDLINE | ID: mdl-27274922

RESUMO

We consider the problem of solving least squares problems involving a matrix M of small displacement rank with respect to two matrices Z 1 and Z 2. We develop formulas for the generators of the matrix M (H) M in terms of the generators of M and show that the Cholesky factorization of the matrix M (H) M can be computed quickly if Z 1 is close to unitary and Z 2 is triangular and nilpotent. These conditions are satisfied for several classes of matrices, including Toeplitz, block Toeplitz, Hankel, and block Hankel, and for matrices whose blocks have such structure. Fast Cholesky factorization enables fast solution of least squares problems, total least squares problems, and regularized total least squares problems involving these classes of matrices.

20.
Appl Spectrosc ; 70(3): 505-19, 2016 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-26810185

RESUMO

An analysis of binary mixtures of hydroxyl compound by Attenuated Total Reflection Fourier transform infrared spectroscopy (ATR FT-IR) and classical least squares (CLS) yield large model error due to the presence of unmodeled components such as H-bonded components. To accommodate these spectral variations, polynomial-based least squares (LSP) and polynomial-based total least squares (TLSP) are proposed to capture the nonlinear absorbance-concentration relationship. LSP is based on assuming that only absorbance noise exists; while TLSP takes both absorbance noise and concentration noise into consideration. In addition, based on different solving strategy, two optimization algorithms (limited-memory Broyden-Fletcher-Goldfarb-Shanno (LBFGS) algorithm and Levenberg-Marquardt (LM) algorithm) are combined with TLSP and then two different TLSP versions (termed as TLSP-LBFGS and TLSP-LM) are formed. The optimum order of each nonlinear model is determined by cross-validation. Comparison and analyses of the four models are made from two aspects: absorbance prediction and concentration prediction. The results for water-ethanol solution and ethanol-ethyl lactate solution show that LSP, TLSP-LBFGS, and TLSP-LM can, for both absorbance prediction and concentration prediction, obtain smaller root mean square error of prediction than CLS. Additionally, they can also greatly enhance the accuracy of estimated pure component spectra. However, from the view of concentration prediction, the Wilcoxon signed rank test shows that there is no statistically significant difference between each nonlinear model and CLS.


Assuntos
Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Algoritmos , Etanol/química , Ligação de Hidrogênio , Lactatos/química , Análise dos Mínimos Quadrados , Modelos Químicos , Água/química
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