semPLS: Structural Equation Modeling Using Partial Least Squares

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Armin Monecke

2012-05-01

Full Text Available Structural equation models (SEM are very popular in many disciplines. The partial least squares (PLS approach to SEM offers an alternative to covariance-based SEM, which is especially suited for situations when data is not normally distributed. PLS path modelling is referred to as soft-modeling-technique with minimum demands regarding mea- surement scales, sample sizes and residual distributions. The semPLS package provides the capability to estimate PLS path models within the R programming environment. Different setups for the estimation of factor scores can be used. Furthermore it contains modular methods for computation of bootstrap confidence intervals, model parameters and several quality indices. Various plot functions help to evaluate the model. The well known mobile phone dataset from marketing research is used to demonstrate the features of the package.

Pemodelan Peningkatan Akurasi Estimasi Biaya Dengan Metode Structural Equation Modeling-Partial Least Square Pada Proyek Jalan Provinsi Kalimantan Tengah

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Yanda Christian

2018-01-01

Full Text Available Acceleration of national development increases the number of construction projects in Indonesia, including road projects. The contractor as the service provider in the implementation of the construction work shall have a detailed implementation schedule and project cost budget plan so that the construction work shall not be subject to delays and cost overrun. The main thing that can cause cost overrun is the error in cost estimation. In this study discusses the modeling of increasing the accuracy of cost estimation as well as the development of factors that can improve the accuracy of cost estimation. Validation of research variables was done to experts using Analytical Hierarchy Process (AHP method and modeling using Structural Equation ModelingPartial Least Square (SEM-PLS method to project contractor of Public Works Department of Central Kalimantan Province and National Road Implementation Center XI Unit Work of Central Kalimantan with contract value of project worth 20 Billion to 50 Billion Rupiah Year 2016. The result of variable validation shows the competence variable of estimator, survey, availability of information, calculation of cost estimation and internal company is variable which influence estimation The obtained modeling equation is AEB = 0,129 KE + 0.466 S + 0,191 KI + 0,153 PEB + 0,069 IP + 0,181 ζ. The development of cost estimation is done by improving each influential indicator in each variable and applying development strategies to increase the estimated cost estimation based on SWOT analysis. Keywords : Analytical Hierarchy Process (AHP, cost estimation, road, Structural Equation Modeling-Partial Least Square (SEM-PLS, SWOT analysis.

Use of correspondence analysis partial least squares on linear and unimodal data

DEFF Research Database (Denmark)

Frisvad, Jens Christian; Norsker, Merete

1996-01-01

Correspondence analysis partial least squares (CA-PLS) has been compared with PLS conceming classification and prediction of unimodal growth temperature data and an example using infrared (IR) spectroscopy for predicting amounts of chemicals in mixtures. CA-PLS was very effective for ordinating...... that could only be seen in two-dimensional plots, and also less effective predictions. PLS was the best method in the linear case treated, with fewer components and a better prediction than CA-PLS....

Nonnegative least-squares image deblurring: improved gradient projection approaches

Science.gov (United States)

Benvenuto, F.; Zanella, R.; Zanni, L.; Bertero, M.

2010-02-01

The least-squares approach to image deblurring leads to an ill-posed problem. The addition of the nonnegativity constraint, when appropriate, does not provide regularization, even if, as far as we know, a thorough investigation of the ill-posedness of the resulting constrained least-squares problem has still to be done. Iterative methods, converging to nonnegative least-squares solutions, have been proposed. Some of them have the 'semi-convergence' property, i.e. early stopping of the iteration provides 'regularized' solutions. In this paper we consider two of these methods: the projected Landweber (PL) method and the iterative image space reconstruction algorithm (ISRA). Even if they work well in many instances, they are not frequently used in practice because, in general, they require a large number of iterations before providing a sensible solution. Therefore, the main purpose of this paper is to refresh these methods by increasing their efficiency. Starting from the remark that PL and ISRA require only the computation of the gradient of the functional, we propose the application to these algorithms of special acceleration techniques that have been recently developed in the area of the gradient methods. In particular, we propose the application of efficient step-length selection rules and line-search strategies. Moreover, remarking that ISRA is a scaled gradient algorithm, we evaluate its behaviour in comparison with a recent scaled gradient projection (SGP) method for image deblurring. Numerical experiments demonstrate that the accelerated methods still exhibit the semi-convergence property, with a considerable gain both in the number of iterations and in the computational time; in particular, SGP appears definitely the most efficient one.

Recursive N-way partial least squares for brain-computer interface.

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Andrey Eliseyev

Full Text Available In the article tensor-input/tensor-output blockwise Recursive N-way Partial Least Squares (RNPLS regression is considered. It combines the multi-way tensors decomposition with a consecutive calculation scheme and allows blockwise treatment of tensor data arrays with huge dimensions, as well as the adaptive modeling of time-dependent processes with tensor variables. In the article the numerical study of the algorithm is undertaken. The RNPLS algorithm demonstrates fast and stable convergence of regression coefficients. Applied to Brain Computer Interface system calibration, the algorithm provides an efficient adjustment of the decoding model. Combining the online adaptation with easy interpretation of results, the method can be effectively applied in a variety of multi-modal neural activity flow modeling tasks.

Multivariate fault isolation of batch processes via variable selection in partial least squares discriminant analysis.

Science.gov (United States)

Yan, Zhengbing; Kuang, Te-Hui; Yao, Yuan

2017-09-01

In recent years, multivariate statistical monitoring of batch processes has become a popular research topic, wherein multivariate fault isolation is an important step aiming at the identification of the faulty variables contributing most to the detected process abnormality. Although contribution plots have been commonly used in statistical fault isolation, such methods suffer from the smearing effect between correlated variables. In particular, in batch process monitoring, the high autocorrelations and cross-correlations that exist in variable trajectories make the smearing effect unavoidable. To address such a problem, a variable selection-based fault isolation method is proposed in this research, which transforms the fault isolation problem into a variable selection problem in partial least squares discriminant analysis and solves it by calculating a sparse partial least squares model. As different from the traditional methods, the proposed method emphasizes the relative importance of each process variable. Such information may help process engineers in conducting root-cause diagnosis. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Sulfur Speciation of Crude Oils by Partial Least Squares Regression Modeling of Their Infrared Spectra

NARCIS (Netherlands)

de Peinder, P.; Visser, T.; Wagemans, R.W.P.; Blomberg, J.; Chaabani, H.; Soulimani, F.; Weckhuysen, B.M.

2013-01-01

Research has been carried out to determine the feasibility of partial least-squares regression (PLS) modeling of infrared (IR) spectra of crude oils as a tool for fast sulfur speciation. The study is a continuation of a previously developed method to predict long and short residue properties of

Simplified neural networks for solving linear least squares and total least squares problems in real time.

Science.gov (United States)

Cichocki, A; Unbehauen, R

1994-01-01

In this paper a new class of simplified low-cost analog artificial neural networks with on chip adaptive learning algorithms are proposed for solving linear systems of algebraic equations in real time. The proposed learning algorithms for linear least squares (LS), total least squares (TLS) and data least squares (DLS) problems can be considered as modifications and extensions of well known algorithms: the row-action projection-Kaczmarz algorithm and/or the LMS (Adaline) Widrow-Hoff algorithms. The algorithms can be applied to any problem which can be formulated as a linear regression problem. The correctness and high performance of the proposed neural networks are illustrated by extensive computer simulation results.

Emulating facial biomechanics using multivariate partial least squares surrogate models.

Science.gov (United States)

Wu, Tim; Martens, Harald; Hunter, Peter; Mithraratne, Kumar

2014-11-01

A detailed biomechanical model of the human face driven by a network of muscles is a useful tool in relating the muscle activities to facial deformations. However, lengthy computational times often hinder its applications in practical settings. The objective of this study is to replace precise but computationally demanding biomechanical model by a much faster multivariate meta-model (surrogate model), such that a significant speedup (to real-time interactive speed) can be achieved. Using a multilevel fractional factorial design, the parameter space of the biomechanical system was probed from a set of sample points chosen to satisfy maximal rank optimality and volume filling. The input-output relationship at these sampled points was then statistically emulated using linear and nonlinear, cross-validated, partial least squares regression models. It was demonstrated that these surrogate models can mimic facial biomechanics efficiently and reliably in real-time. Copyright © 2014 John Wiley & Sons, Ltd.

Risk and Management Control: A Partial Least Square Modelling Approach

DEFF Research Database (Denmark)

Nielsen, Steen; Pontoppidan, Iens Christian

Risk and economic theory goes many year back (e.g. to Keynes & Knight 1921) and risk/uncertainty belong to one of the explanations for the existence of the firm (Coarse, 1937). The present financial crisis going on in the past years have re-accentuated risk and the need of coherence...... and interrelations between risk and areas within management accounting. The idea is that management accounting should be able to conduct a valid feed forward but also predictions for decision making including risk. This study reports the test of a theoretical model using partial least squares (PLS) on survey data...... and a external attitude dimension. The results have important implications for both management control research and for the management control systems design for the way accountants consider the element of risk in their different tasks, both operational and strategic. Specifically, it seems that different risk...

Optimization Method of Fusing Model Tree into Partial Least Squares

Directory of Open Access Journals (Sweden)

Yu Fang

2017-01-01

Full Text Available Partial Least Square (PLS can’t adapt to the characteristics of the data of many fields due to its own features multiple independent variables, multi-dependent variables and non-linear. However, Model Tree (MT has a good adaptability to nonlinear function, which is made up of many multiple linear segments. Based on this, a new method combining PLS and MT to analysis and predict the data is proposed, which build MT through the main ingredient and the explanatory variables(the dependent variable extracted from PLS, and extract residual information constantly to build Model Tree until well-pleased accuracy condition is satisfied. Using the data of the maxingshigan decoction of the monarch drug to treat the asthma or cough and two sample sets in the UCI Machine Learning Repository, the experimental results show that, the ability of explanation and predicting get improved in the new method.

Space-time least-squares Petrov-Galerkin projection in nonlinear model reduction.

Energy Technology Data Exchange (ETDEWEB)

Choi, Youngsoo [Sandia National Laboratories (SNL-CA), Livermore, CA (United States). Extreme-scale Data Science and Analytics Dept.; Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Carlberg, Kevin Thomas [Sandia National Laboratories (SNL-CA), Livermore, CA (United States). Extreme-scale Data Science and Analytics Dept.

2017-09-01

Our work proposes a space-time least-squares Petrov-Galerkin (ST-LSPG) projection method for model reduction of nonlinear dynamical systems. In contrast to typical nonlinear model-reduction methods that first apply Petrov-Galerkin projection in the spatial dimension and subsequently apply time integration to numerically resolve the resulting low-dimensional dynamical system, the proposed method applies projection in space and time simultaneously. To accomplish this, the method first introduces a low-dimensional space-time trial subspace, which can be obtained by computing tensor decompositions of state-snapshot data. The method then computes discrete-optimal approximations in this space-time trial subspace by minimizing the residual arising after time discretization over all space and time in a weighted ℓ²-norm. This norm can be de ned to enable complexity reduction (i.e., hyper-reduction) in time, which leads to space-time collocation and space-time GNAT variants of the ST-LSPG method. Advantages of the approach relative to typical spatial-projection-based nonlinear model reduction methods such as Galerkin projection and least-squares Petrov-Galerkin projection include: (1) a reduction of both the spatial and temporal dimensions of the dynamical system, (2) the removal of spurious temporal modes (e.g., unstable growth) from the state space, and (3) error bounds that exhibit slower growth in time. Numerical examples performed on model problems in fluid dynamics demonstrate the ability of the method to generate orders-of-magnitude computational savings relative to spatial-projection-based reduced-order models without sacrificing accuracy.

Vis-NIR spectrometric determination of Brix and sucrose in sugar production samples using kernel partial least squares with interval selection based on the successive projections algorithm.

Science.gov (United States)

de Almeida, Valber Elias; de Araújo Gomes, Adriano; de Sousa Fernandes, David Douglas; Goicoechea, Héctor Casimiro; Galvão, Roberto Kawakami Harrop; Araújo, Mario Cesar Ugulino

2018-05-01

This paper proposes a new variable selection method for nonlinear multivariate calibration, combining the Successive Projections Algorithm for interval selection (iSPA) with the Kernel Partial Least Squares (Kernel-PLS) modelling technique. The proposed iSPA-Kernel-PLS algorithm is employed in a case study involving a Vis-NIR spectrometric dataset with complex nonlinear features. The analytical problem consists of determining Brix and sucrose content in samples from a sugar production system, on the basis of transflectance spectra. As compared to full-spectrum Kernel-PLS, the iSPA-Kernel-PLS models involve a smaller number of variables and display statistically significant superiority in terms of accuracy and/or bias in the predictions. Published by Elsevier B.V.

Application of partial least squares near-infrared spectral classification in diabetic identification

Science.gov (United States)

Yan, Wen-juan; Yang, Ming; He, Guo-quan; Qin, Lin; Li, Gang

2014-11-01

In order to identify the diabetic patients by using tongue near-infrared (NIR) spectrum - a spectral classification model of the NIR reflectivity of the tongue tip is proposed, based on the partial least square (PLS) method. 39sample data of tongue tip's NIR spectra are harvested from healthy people and diabetic patients , respectively. After pretreatment of the reflectivity, the spectral data are set as the independent variable matrix, and information of classification as the dependent variables matrix, Samples were divided into two groups - i.e. 53 samples as calibration set and 25 as prediction set - then the PLS is used to build the classification model The constructed modelfrom the 53 samples has the correlation of 0.9614 and the root mean square error of cross-validation (RMSECV) of 0.1387.The predictions for the 25 samples have the correlation of 0.9146 and the RMSECV of 0.2122.The experimental result shows that the PLS method can achieve good classification on features of healthy people and diabetic patients.

Quantification of anaesthetic effects on atrial fibrillation rate by partial least-squares

International Nuclear Information System (INIS)

Cervigón, R; Moreno, J; Pérez-Villacastín, J; Reilly, R B; Castells, F

2012-01-01

The mechanism underlying atrial fibrillation (AF) remains poorly understood. Multiple wandering propagation wavelets drifting through both atria under hierarchical models are not understood. Some pharmacological drugs, known as antiarrhythmics, modify the cardiac ionic currents supporting the fibrillation process within the atria and may modify the AF propagation dynamics terminating the fibrillation process. Other medications, theoretically non-antiarrhythmic, may slightly affect the fibrillation process in non-defined mechanisms. We evaluated whether the most commonly used anaesthetic agent, propofol, affects AF patterns. Partial least-squares (PLS) analysis was performed to reduce significant noise into the main latent variables to find the differences between groups. The final results showed an excellent discrimination between groups with slow atrial activity during the propofol infusion. (paper)

The Multivariate Regression Statistics Strategy to Investigate Content-Effect Correlation of Multiple Components in Traditional Chinese Medicine Based on a Partial Least Squares Method.

Science.gov (United States)

Peng, Ying; Li, Su-Ning; Pei, Xuexue; Hao, Kun

2018-03-01

Amultivariate regression statisticstrategy was developed to clarify multi-components content-effect correlation ofpanaxginseng saponins extract and predict the pharmacological effect by components content. In example 1, firstly, we compared pharmacological effects between panax ginseng saponins extract and individual saponin combinations. Secondly, we examined the anti-platelet aggregation effect in seven different saponin combinations of ginsenoside Rb1, Rg1, Rh, Rd, Ra3 and notoginsenoside R1. Finally, the correlation between anti-platelet aggregation and the content of multiple components was analyzed by a partial least squares algorithm. In example 2, firstly, 18 common peaks were identified in ten different batches of panax ginseng saponins extracts from different origins. Then, we investigated the anti-myocardial ischemia reperfusion injury effects of the ten different panax ginseng saponins extracts. Finally, the correlation between the fingerprints and the cardioprotective effects was analyzed by a partial least squares algorithm. Both in example 1 and 2, the relationship between the components content and pharmacological effect was modeled well by the partial least squares regression equations. Importantly, the predicted effect curve was close to the observed data of dot marked on the partial least squares regression model. This study has given evidences that themulti-component content is a promising information for predicting the pharmacological effects of traditional Chinese medicine.

PERBANDINGAN ANALISIS LEAST ABSOLUTE SHRINKAGE AND SELECTION OPERATOR DAN PARTIAL LEAST SQUARES (Studi Kasus: Data Microarray

Directory of Open Access Journals (Sweden)

KADEK DWI FARMANI

2012-09-01

Full Text Available Linear regression analysis is one of the parametric statistical methods which utilize the relationship between two or more quantitative variables. In linear regression analysis, there are several assumptions that must be met that is normal distribution of errors, there is no correlation between the error and error variance is constant and homogent. There are some constraints that caused the assumption can not be met, for example, the correlation between independent variables (multicollinearity, constraints on the number of data and independent variables are obtained. When the number of samples obtained less than the number of independent variables, then the data is called the microarray data. Least Absolute shrinkage and Selection Operator (LASSO and Partial Least Squares (PLS is a statistical method that can be used to overcome the microarray, overfitting, and multicollinearity. From the above description, it is necessary to study with the intention of comparing LASSO and PLS method. This study uses coronary heart and stroke patients data which is a microarray data and contain multicollinearity. With these two characteristics of the data that most have a weak correlation between independent variables, LASSO method produces a better model than PLS seen from the large RMSEP.

An Improved Generalized Predictive Control in a Robust Dynamic Partial Least Square Framework

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Jin Xin

2015-01-01

Full Text Available To tackle the sensitivity to outliers in system identification, a new robust dynamic partial least squares (PLS model based on an outliers detection method is proposed in this paper. An improved radial basis function network (RBFN is adopted to construct the predictive model from inputs and outputs dataset, and a hidden Markov model (HMM is applied to detect the outliers. After outliers are removed away, a more robust dynamic PLS model is obtained. In addition, an improved generalized predictive control (GPC with the tuning weights under dynamic PLS framework is proposed to deal with the interaction which is caused by the model mismatch. The results of two simulations demonstrate the effectiveness of proposed method.

Estimation of active pharmaceutical ingredients content using locally weighted partial least squares and statistical wavelength selection.

Science.gov (United States)

Kim, Sanghong; Kano, Manabu; Nakagawa, Hiroshi; Hasebe, Shinji

2011-12-15

Development of quality estimation models using near infrared spectroscopy (NIRS) and multivariate analysis has been accelerated as a process analytical technology (PAT) tool in the pharmaceutical industry. Although linear regression methods such as partial least squares (PLS) are widely used, they cannot always achieve high estimation accuracy because physical and chemical properties of a measuring object have a complex effect on NIR spectra. In this research, locally weighted PLS (LW-PLS) which utilizes a newly defined similarity between samples is proposed to estimate active pharmaceutical ingredient (API) content in granules for tableting. In addition, a statistical wavelength selection method which quantifies the effect of API content and other factors on NIR spectra is proposed. LW-PLS and the proposed wavelength selection method were applied to real process data provided by Daiichi Sankyo Co., Ltd., and the estimation accuracy was improved by 38.6% in root mean square error of prediction (RMSEP) compared to the conventional PLS using wavelengths selected on the basis of variable importance on the projection (VIP). The results clearly show that the proposed calibration modeling technique is useful for API content estimation and is superior to the conventional one. Copyright © 2011 Elsevier B.V. All rights reserved.

Brightness-normalized Partial Least Squares Regression for hyperspectral data

International Nuclear Information System (INIS)

Feilhauer, Hannes; Asner, Gregory P.; Martin, Roberta E.; Schmidtlein, Sebastian

2010-01-01

Developed in the field of chemometrics, Partial Least Squares Regression (PLSR) has become an established technique in vegetation remote sensing. PLSR was primarily designed for laboratory analysis of prepared material samples. Under field conditions in vegetation remote sensing, the performance of the technique may be negatively affected by differences in brightness due to amount and orientation of plant tissues in canopies or the observing conditions. To minimize these effects, we introduced brightness normalization to the PLSR approach and tested whether this modification improves the performance under changing canopy and observing conditions. This test was carried out using high-fidelity spectral data (400-2510 nm) to model observed leaf chemistry. The spectral data was combined with a canopy radiative transfer model to simulate effects of varying canopy structure and viewing geometry. Brightness normalization enhanced the performance of PLSR by dampening the effects of canopy shade, thus providing a significant improvement in predictions of leaf chemistry (up to 3.6% additional explained variance in validation) compared to conventional PLSR. Little improvement was made on effects due to variable leaf area index, while minor improvement (mostly not significant) was observed for effects of variable viewing geometry. In general, brightness normalization increased the stability of model fits and regression coefficients for all canopy scenarios. Brightness-normalized PLSR is thus a promising approach for application on airborne and space-based imaging spectrometer data.

The Multivariate Regression Statistics Strategy to Investigate Content-Effect Correlation of Multiple Components in Traditional Chinese Medicine Based on a Partial Least Squares Method

Directory of Open Access Journals (Sweden)

Ying Peng

2018-03-01

Full Text Available Amultivariate regression statisticstrategy was developed to clarify multi-components content-effect correlation ofpanaxginseng saponins extract and predict the pharmacological effect by components content. In example 1, firstly, we compared pharmacological effects between panax ginseng saponins extract and individual saponin combinations. Secondly, we examined the anti-platelet aggregation effect in seven different saponin combinations of ginsenoside Rb1, Rg1, Rh, Rd, Ra3 and notoginsenoside R1. Finally, the correlation between anti-platelet aggregation and the content of multiple components was analyzed by a partial least squares algorithm. In example 2, firstly, 18 common peaks were identified in ten different batches of panax ginseng saponins extracts from different origins. Then, we investigated the anti-myocardial ischemia reperfusion injury effects of the ten different panax ginseng saponins extracts. Finally, the correlation between the fingerprints and the cardioprotective effects was analyzed by a partial least squares algorithm. Both in example 1 and 2, the relationship between the components content and pharmacological effect was modeled well by the partial least squares regression equations. Importantly, the predicted effect curve was close to the observed data of dot marked on the partial least squares regression model. This study has given evidences that themulti-component content is a promising information for predicting the pharmacological effects of traditional Chinese medicine.

Determination of carbohydrates present in Saccharomyces cerevisiae using mid-infrared spectroscopy and partial least squares regression

OpenAIRE

Plata, Maria R.; Koch, Cosima; Wechselberger, Patrick; Herwig, Christoph; Lendl, Bernhard

2013-01-01

A fast and simple method to control variations in carbohydrate composition of Saccharomyces cerevisiae, baker's yeast, during fermentation was developed using mid-infrared (mid-IR) spectroscopy. The method allows for precise and accurate determinations with minimal or no sample preparation and reagent consumption based on mid-IR spectra and partial least squares (PLS) regression. The PLS models were developed employing the results from reference analysis of the yeast cells. The reference anal...

Estimation of active pharmaceutical ingredients content using locally weighted partial least squares and statistical wavelength selection.

OpenAIRE

Kim, Sanghong; Kano, Manabu; Nakagawa, Hiroshi; Hasebe, Shinji

2011-01-01

Development of quality estimation models using near infrared spectroscopy (NIRS) and multivariate analysis has been accelerated as a process analytical technology (PAT) tool in the pharmaceutical industry. Although linear regression methods such as partial least squares (PLS) are widely used, they cannot always achieve high estimation accuracy because physical and chemical properties of a measuring object have a complex effect on NIR spectra. In this research, locally weighted PLS (LW-PLS) wh...

Extracting information from two-dimensional electrophoresis gels by partial least squares regression

DEFF Research Database (Denmark)

Jessen, Flemming; Lametsch, R.; Bendixen, E.

2002-01-01

of all proteins/spots in the gels. In the present study it is demonstrated how information can be extracted by multivariate data analysis. The strategy is based on partial least squares regression followed by variable selection to find proteins that individually or in combination with other proteins vary......Two-dimensional gel electrophoresis (2-DE) produces large amounts of data and extraction of relevant information from these data demands a cautious and time consuming process of spot pattern matching between gels. The classical approach of data analysis is to detect protein markers that appear...... or disappear depending on the experimental conditions. Such biomarkers are found by comparing the relative volumes of individual spots in the individual gels. Multivariate statistical analysis and modelling of 2-DE data for comparison and classification is an alternative approach utilising the combination...

Generalized least squares and empirical Bayes estimation in regional partial duration series index-flood modeling

DEFF Research Database (Denmark)

Madsen, Henrik; Rosbjerg, Dan

1997-01-01

parameters is inferred from regional data using generalized least squares (GLS) regression. Two different Bayesian T-year event estimators are introduced: a linear estimator that requires only some moments of the prior distributions to be specified and a parametric estimator that is based on specified......A regional estimation procedure that combines the index-flood concept with an empirical Bayes method for inferring regional information is introduced. The model is based on the partial duration series approach with generalized Pareto (GP) distributed exceedances. The prior information of the model...

Parameter Estimation of Permanent Magnet Synchronous Motor Using Orthogonal Projection and Recursive Least Squares Combinatorial Algorithm

Directory of Open Access Journals (Sweden)

Iman Yousefi

2015-01-01

Full Text Available This paper presents parameter estimation of Permanent Magnet Synchronous Motor (PMSM using a combinatorial algorithm. Nonlinear fourth-order space state model of PMSM is selected. This model is rewritten to the linear regression form without linearization. Noise is imposed to the system in order to provide a real condition, and then combinatorial Orthogonal Projection Algorithm and Recursive Least Squares (OPA&RLS method is applied in the linear regression form to the system. Results of this method are compared to the Orthogonal Projection Algorithm (OPA and Recursive Least Squares (RLS methods to validate the feasibility of the proposed method. Simulation results validate the efficacy of the proposed algorithm.

Lameness detection challenges in automated milking systems addressed with partial least squares discriminant analysis

DEFF Research Database (Denmark)

Garcia, Emanuel; Klaas, Ilka Christine; Amigo Rubio, Jose Manuel

2014-01-01

Lameness is prevalent in dairy herds. It causes decreased animal welfare and leads to higher production costs. This study explored data from an automatic milking system (AMS) to model on-farm gait scoring from a commercial farm. A total of 88 cows were gait scored once per week, for 2 5-wk periods......). The reference gait scoring error was estimated in the first week of the study and was, on average, 15%. Two partial least squares discriminant analysis models were fitted to parity 1 and parity 2 groups, respectively, to assign the lameness class according to the predicted probability of being lame (score 3...

Unlocking interpretation in near infrared multivariate calibrations by orthogonal partial least squares.

Science.gov (United States)

Stenlund, Hans; Johansson, Erik; Gottfries, Johan; Trygg, Johan

2009-01-01

Near infrared spectroscopy (NIR) was developed primarily for applications such as the quantitative determination of nutrients in the agricultural and food industries. Examples include the determination of water, protein, and fat within complex samples such as grain and milk. Because of its useful properties, NIR analysis has spread to other areas such as chemistry and pharmaceutical production. NIR spectra consist of infrared overtones and combinations thereof, making interpretation of the results complicated. It can be very difficult to assign peaks to known constituents in the sample. Thus, multivariate analysis (MVA) has been crucial in translating spectral data into information, mainly for predictive purposes. Orthogonal partial least squares (OPLS), a new MVA method, has prediction and modeling properties similar to those of other MVA techniques, e.g., partial least squares (PLS), a method with a long history of use for the analysis of NIR data. OPLS provides an intrinsic algorithmic improvement for the interpretation of NIR data. In this report, four sets of NIR data were analyzed to demonstrate the improved interpretation provided by OPLS. The first two sets included simulated data to demonstrate the overall principles; the third set comprised a statistically replicated design of experiments (DoE), to demonstrate how instrumental difference could be accurately visualized and correctly attributed to Wood's anomaly phenomena; the fourth set was chosen to challenge the MVA by using data relating to powder mixing, a crucial step in the pharmaceutical industry prior to tabletting. Improved interpretation by OPLS was demonstrated for all four examples, as compared to alternative MVA approaches. It is expected that OPLS will be used mostly in applications where improved interpretation is crucial; one such area is process analytical technology (PAT). PAT involves fewer independent samples, i.e., batches, than would be associated with agricultural applications; in

A Comparison of Approaches for the Analysis of Interaction Effects between Latent Variables Using Partial Least Squares Path Modeling

Science.gov (United States)

Henseler, Jorg; Chin, Wynne W.

2010-01-01

In social and business sciences, the importance of the analysis of interaction effects between manifest as well as latent variables steadily increases. Researchers using partial least squares (PLS) to analyze interaction effects between latent variables need an overview of the available approaches as well as their suitability. This article…

Comment on "Fringe projection profilometry with nonparallel illumination: a least-squares approach"

Science.gov (United States)

Wang, Zhaoyang; Bi, Hongbo

2006-07-01

We comment on the recent Letter by Chen and Quan [Opt. Lett.30, 2101 (2005)] in which a least-squares approach was proposed to cope with the nonparallel illumination in fringe projection profilometry. It is noted that the previous mathematical derivations of the fringe pitch and carrier phase functions on the reference plane were incorrect. In addition, we suggest that the variation of carrier phase along the vertical direction should be considered.

Prediction of beef marblingusing Hyperspectral Imaging (HSI and Partial Least Squares Regression (PLSR

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Victor Aredo

2017-01-01

Full Text Available The aim of this study was to build a model to predict the beef marbling using HSI and Partial Least Squares Regression (PLSR. Totally 58 samples of longissmus dorsi muscle were scanned by a HSI system (400 - 1000 nm in reflectance mode, using 44 samples to build t he PLSR model and 14 samples to model validation. The Japanese Beef Marbling Standard (BMS was used as reference by 15 middle - trained judges for the samples evaluation. The scores were assigned as continuous values and varied from 1.2 to 5.3 BMS. The PLSR model showed a high correlation coefficient in the prediction (r = 0.95, a low Standard Error of Calibration (SEC of 0.2 BMS score, and a low Standard Error of Prediction (SEP of 0.3 BMS score.

ENTREPRENEURIAL ATTITUDE AND STUDENTS BUSINESS START-UP INTENTION: A PARTIAL LEAST SQUARE MODELING

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Widayat Widayat

2017-03-01

Full Text Available This article is designed to examine the role of the entrepreneurial spirit, education and in build­ing­ an attitude about working as an entrepreneur, and his influence on the intention to start a business, to the students. Data were collected using a questionnaire has been prepared and maintained the validity and relia­bility. Questionnaires given to the respondent students were selected as samples at several universi­ti­es in Malang, East Java, Indonesia. The collected data were analyzed by using Partial Least Square. The a­­na­­ly­sis showed entrepreneurial spirit and education contribute to the formation of entrepreneurial atti­tu­des. Attitudes are formed encourage entrepreneurship intentions to start a business significantly.

Weighted conditional least-squares estimation

International Nuclear Information System (INIS)

Booth, J.G.

1987-01-01

A two-stage estimation procedure is proposed that generalizes the concept of conditional least squares. The method is instead based upon the minimization of a weighted sum of squares, where the weights are inverses of estimated conditional variance terms. Some general conditions are given under which the estimators are consistent and jointly asymptotically normal. More specific details are given for ergodic Markov processes with stationary transition probabilities. A comparison is made with the ordinary conditional least-squares estimators for two simple branching processes with immigration. The relationship between weighted conditional least squares and other, more well-known, estimators is also investigated. In particular, it is shown that in many cases estimated generalized least-squares estimators can be obtained using the weighted conditional least-squares approach. Applications to stochastic compartmental models, and linear models with nested error structures are considered

DIFFERENTIATION OF AURANTII FRUCTUS IMMATURUS AND FRUCTUS PONICIRI TRIFOLIATAE IMMATURUS BY FLOW-INJECTION WITH ULTRAVIOLET SPECTROSCOPIC DETECTION AND PROTON NUCLEAR MAGNETIC RESONANCE USING PARTIAL LEAST-SQUARES DISCRIMINANT ANALYSIS.

Science.gov (United States)

Zhang, Mengliang; Zhao, Yang; Harrington, Peter de B; Chen, Pei

2016-03-01

Two simple fingerprinting methods, flow-injection coupled to ultraviolet spectroscopy and proton nuclear magnetic resonance, were used for discriminating between Aurantii fructus immaturus and Fructus poniciri trifoliatae immaturus . Both methods were combined with partial least-squares discriminant analysis. In the flow-injection method, four data representations were evaluated: total ultraviolet absorbance chromatograms, averaged ultraviolet spectra, absorbance at 193, 205, 225, and 283 nm, and absorbance at 225 and 283 nm. Prediction rates of 100% were achieved for all data representations by partial least-squares discriminant analysis using leave-one-sample-out cross-validation. The prediction rate for the proton nuclear magnetic resonance data by partial least-squares discriminant analysis with leave-one-sample-out cross-validation was also 100%. A new validation set of data was collected by flow-injection with ultraviolet spectroscopic detection two weeks later and predicted by partial least-squares discriminant analysis models constructed by the initial data representations with no parameter changes. The classification rates were 95% with the total ultraviolet absorbance chromatograms datasets and 100% with the other three datasets. Flow-injection with ultraviolet detection and proton nuclear magnetic resonance are simple, high throughput, and low-cost methods for discrimination studies.

Comparison of multiple linear regression, partial least squares and artificial neural networks for prediction of gas chromatographic relative retention times of trimethylsilylated anabolic androgenic steroids.

Science.gov (United States)

Fragkaki, A G; Farmaki, E; Thomaidis, N; Tsantili-Kakoulidou, A; Angelis, Y S; Koupparis, M; Georgakopoulos, C

2012-09-21

The comparison among different modelling techniques, such as multiple linear regression, partial least squares and artificial neural networks, has been performed in order to construct and evaluate models for prediction of gas chromatographic relative retention times of trimethylsilylated anabolic androgenic steroids. The performance of the quantitative structure-retention relationship study, using the multiple linear regression and partial least squares techniques, has been previously conducted. In the present study, artificial neural networks models were constructed and used for the prediction of relative retention times of anabolic androgenic steroids, while their efficiency is compared with that of the models derived from the multiple linear regression and partial least squares techniques. For overall ranking of the models, a novel procedure [Trends Anal. Chem. 29 (2010) 101-109] based on sum of ranking differences was applied, which permits the best model to be selected. The suggested models are considered useful for the estimation of relative retention times of designer steroids for which no analytical data are available. Copyright © 2012 Elsevier B.V. All rights reserved.

Modelling by partial least squares the relationship between the HPLC mobile phases and analytes on phenyl column.

Science.gov (United States)

Markopoulou, Catherine K; Kouskoura, Maria G; Koundourellis, John E

2011-06-01

Twenty-five descriptors and 61 structurally different analytes have been used on a partial least squares (PLS) to latent structure technique in order to study chromatographically their interaction mechanism on a phenyl column. According to the model, 240 different retention times of the analytes, expressed as Y variable (log k), at different % MeOH mobile-phase concentrations have been correlated with their theoretical most important structural or molecular descriptors. The goodness-of-fit was estimated by the coefficient of multiple determinations r(2) (0.919), and the root mean square error of estimation (RMSEE=0.1283) values with a predictive ability (Q(2)) of 0.901. The model was further validated using cross-validation (CV), validated by 20 response permutations r(2) (0.0, 0.0146), Q(2) (0.0, -0.136) and validated by external prediction. The contribution of certain mechanism interactions between the analytes, the mobile phase and the column, proportional or counterbalancing is also studied. Trying to evaluate the influence on Y of every variable in a PLS model, VIP (variables importance in the projection) plot provides evidence that lipophilicity (expressed as Log D, Log P), polarizability, refractivity and the eluting power of the mobile phase are dominant in the retention mechanism on a phenyl column. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Petroleomics by electrospray ionization FT-ICR mass spectrometry coupled to partial least squares with variable selection methods: prediction of the total acid number of crude oils.

Science.gov (United States)

Terra, Luciana A; Filgueiras, Paulo R; Tose, Lílian V; Romão, Wanderson; de Souza, Douglas D; de Castro, Eustáquio V R; de Oliveira, Mirela S L; Dias, Júlio C M; Poppi, Ronei J

2014-10-07

Negative-ion mode electrospray ionization, ESI(-), with Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was coupled to a Partial Least Squares (PLS) regression and variable selection methods to estimate the total acid number (TAN) of Brazilian crude oil samples. Generally, ESI(-)-FT-ICR mass spectra present a power of resolution of ca. 500,000 and a mass accuracy less than 1 ppm, producing a data matrix containing over 5700 variables per sample. These variables correspond to heteroatom-containing species detected as deprotonated molecules, [M - H](-) ions, which are identified primarily as naphthenic acids, phenols and carbazole analog species. The TAN values for all samples ranged from 0.06 to 3.61 mg of KOH g(-1). To facilitate the spectral interpretation, three methods of variable selection were studied: variable importance in the projection (VIP), interval partial least squares (iPLS) and elimination of uninformative variables (UVE). The UVE method seems to be more appropriate for selecting important variables, reducing the dimension of the variables to 183 and producing a root mean square error of prediction of 0.32 mg of KOH g(-1). By reducing the size of the data, it was possible to relate the selected variables with their corresponding molecular formulas, thus identifying the main chemical species responsible for the TAN values.

Development of nondestructive detection method for adulterated powder products using Raman spectroscopy and partial least squares regression

Energy Technology Data Exchange (ETDEWEB)

Lee, Sang Dae; Lohumi, Santosh; Cho, Byoung Kwan [Dept. of Biosystems Machinery Engineering, Chungnam National University, Daejeon (Korea, Republic of); Kim, Moon Sung [United States Department of Agriculture Agricultural Research Service, Washington (United States); Lee, Soo Hee [Life and Technology Co.,Ltd., Hwasung (Korea, Republic of)

2014-08-15

This study was conducted to develop a non-destructive detection method for adulterated powder products using Raman spectroscopy and partial least squares regression(PLSR). Garlic and ginger powder, which are used as natural seasoning and in health supplement foods, were selected for this experiment. Samples were adulterated with corn starch in concentrations of 5-35%. PLSR models for adulterated garlic and ginger powders were developed and their performances evaluated using cross validation. The R{sup 2}{sub c} and SEC of an optimal PLSR model were 0.99 and 2.16 for the garlic powder samples, and 0.99 and 0.84 for the ginger samples, respectively. The variable importance in projection (VIP) score is a useful and simple tool for the evaluation of the importance of each variable in a PLSR model. After the VIP scores were taken pre-selection, the Raman spectrum data was reduced by one third. New PLSR models, based on a reduced number of wavelengths selected by the VIP scores technique, gave good predictions for the adulterated garlic and ginger powder samples.

Development of nondestructive detection method for adulterated powder products using Raman spectroscopy and partial least squares regression

International Nuclear Information System (INIS)

Lee, Sang Dae; Lohumi, Santosh; Cho, Byoung Kwan; Kim, Moon Sung; Lee, Soo Hee

2014-01-01

This study was conducted to develop a non-destructive detection method for adulterated powder products using Raman spectroscopy and partial least squares regression(PLSR). Garlic and ginger powder, which are used as natural seasoning and in health supplement foods, were selected for this experiment. Samples were adulterated with corn starch in concentrations of 5-35%. PLSR models for adulterated garlic and ginger powders were developed and their performances evaluated using cross validation. The R 2 c and SEC of an optimal PLSR model were 0.99 and 2.16 for the garlic powder samples, and 0.99 and 0.84 for the ginger samples, respectively. The variable importance in projection (VIP) score is a useful and simple tool for the evaluation of the importance of each variable in a PLSR model. After the VIP scores were taken pre-selection, the Raman spectrum data was reduced by one third. New PLSR models, based on a reduced number of wavelengths selected by the VIP scores technique, gave good predictions for the adulterated garlic and ginger powder samples.

Estimating the Acquisition Price of Enshi Yulu Young Tea Shoots Using Near-Infrared Spectroscopy by the Back Propagation Artificial Neural Network Model in Conjunction with Backward Interval Partial Least Squares Algorithm

Science.gov (United States)

Wang, Sh.-P.; Gong, Z.-M.; Su, X.-Zh.; Liao, J.-Zh.

2017-09-01

Near infrared spectroscopy and the back propagation artificial neural network model in conjunction with backward interval partial least squares algorithm were used to estimate the purchasing price of Enshi yulu young tea shoots. The near-infrared spectra regions most relevant to the tea shoots price model (5700.5-5935.8, 7613.6-7848.9, 8091.8-8327.1, 8331-8566.2, 9287.5-9522.5, and 9526.6-9761.9 cm-1) were selected using backward interval partial least squares algorithm. The first five principal components that explained 99.96% of the variability in those selected spectral data were then used to calibrate the back propagation artificial neural tea shoots purchasing price model. The performance of this model (coefficient of determination for prediction 0.9724; root-mean-square error of prediction 4.727) was superior to those of the back propagation artificial neural model (coefficient of determination for prediction 0.8653, root-mean-square error of prediction 5.125) and the backward interval partial least squares model (coefficient of determination for prediction 0.5932, root-mean-square error of prediction 25.125). The acquisition price model with the combined backward interval partial least squares-back propagation artificial neural network algorithms can evaluate the price of Enshi yulu tea shoots accurately, quickly and objectively.

Modified multiblock partial least squares path modeling algorithm with backpropagation neural networks approach

Science.gov (United States)

Yuniarto, Budi; Kurniawan, Robert

2017-03-01

PLS Path Modeling (PLS-PM) is different from covariance based SEM, where PLS-PM use an approach based on variance or component, therefore, PLS-PM is also known as a component based SEM. Multiblock Partial Least Squares (MBPLS) is a method in PLS regression which can be used in PLS Path Modeling which known as Multiblock PLS Path Modeling (MBPLS-PM). This method uses an iterative procedure in its algorithm. This research aims to modify MBPLS-PM with Back Propagation Neural Network approach. The result is MBPLS-PM algorithm can be modified using the Back Propagation Neural Network approach to replace the iterative process in backward and forward step to get the matrix t and the matrix u in the algorithm. By modifying the MBPLS-PM algorithm using Back Propagation Neural Network approach, the model parameters obtained are relatively not significantly different compared to model parameters obtained by original MBPLS-PM algorithm.

Quantitative structure-retention relationship studies with immobilized artificial membrane chromatography II: partial least squares regression.

Science.gov (United States)

Li, Jie; Sun, Jin; He, Zhonggui

2007-01-26

We aimed to establish quantitative structure-retention relationship (QSRR) with immobilized artificial membrane (IAM) chromatography using easily understood and obtained physicochemical molecular descriptors and to elucidate which descriptors are critical to affect the interaction process between solutes and immobilized phospholipid membranes. The retention indices (logk(IAM)) of 55 structurally diverse drugs were determined on an immobilized artificial membrane column (IAM.PC.DD2) directly or obtained by extrapolation method for highly hydrophobic compounds. Ten simple physicochemical property descriptors (clogP, rings, rotatory bond, hydro-bond counting, etc.) of these drugs were collected and used to establish QSRR and predict the retention data by partial least squares regression (PLSR). Five descriptors, clogP, rotatory bond (RotB), rings, molecular weight (MW) and total surface area (TSA), were reserved by using the Variable Importance for Projection (VIP) values as criterion to build the final PLSR model. An external test set was employed to verify the QSRR based on the training set with the five variables, and QSRR by PLSR exhibited a satisfying predictive ability with R(p)=0.902 and RMSE(p)=0.400. Comparison of coefficients of centered and scaled variables by PLSR demonstrated that, for the descriptors studied, clogP and TSA have the most significant positive effect but the rotatable bond has significant negative effect on drug IAM chromatographic retention.

Prediction of Placental Barrier Permeability: A Model Based on Partial Least Squares Variable Selection Procedure

Directory of Open Access Journals (Sweden)

Yong-Hong Zhang

2015-05-01

Full Text Available Assessing the human placental barrier permeability of drugs is very important to guarantee drug safety during pregnancy. Quantitative structure–activity relationship (QSAR method was used as an effective assessing tool for the placental transfer study of drugs, while in vitro human placental perfusion is the most widely used method. In this study, the partial least squares (PLS variable selection and modeling procedure was used to pick out optimal descriptors from a pool of 620 descriptors of 65 compounds and to simultaneously develop a QSAR model between the descriptors and the placental barrier permeability expressed by the clearance indices (CI. The model was subjected to internal validation by cross-validation and y-randomization and to external validation by predicting CI values of 19 compounds. It was shown that the model developed is robust and has a good predictive potential (r2 = 0.9064, RMSE = 0.09, q2 = 0.7323, rp2 = 0.7656, RMSP = 0.14. The mechanistic interpretation of the final model was given by the high variable importance in projection values of descriptors. Using PLS procedure, we can rapidly and effectively select optimal descriptors and thus construct a model with good stability and predictability. This analysis can provide an effective tool for the high-throughput screening of the placental barrier permeability of drugs.

Classification and quantitation of milk powder by near-infrared spectroscopy and mutual information-based variable selection and partial least squares

Science.gov (United States)

Chen, Hui; Tan, Chao; Lin, Zan; Wu, Tong

2018-01-01

Milk is among the most popular nutrient source worldwide, which is of great interest due to its beneficial medicinal properties. The feasibility of the classification of milk powder samples with respect to their brands and the determination of protein concentration is investigated by NIR spectroscopy along with chemometrics. Two datasets were prepared for experiment. One contains 179 samples of four brands for classification and the other contains 30 samples for quantitative analysis. Principal component analysis (PCA) was used for exploratory analysis. Based on an effective model-independent variable selection method, i.e., minimal-redundancy maximal-relevance (MRMR), only 18 variables were selected to construct a partial least-square discriminant analysis (PLS-DA) model. On the test set, the PLS-DA model based on the selected variable set was compared with the full-spectrum PLS-DA model, both of which achieved 100% accuracy. In quantitative analysis, the partial least-square regression (PLSR) model constructed by the selected subset of 260 variables outperforms significantly the full-spectrum model. It seems that the combination of NIR spectroscopy, MRMR and PLS-DA or PLSR is a powerful tool for classifying different brands of milk and determining the protein content.

Rapid classification of turmeric based on DNA fingerprint by near-infrared spectroscopy combined with moving window partial least squares-discrimination analysis

International Nuclear Information System (INIS)

Kasemsumran, Sumaporn; Suttiwijitpukdee, Nattaporn; Keeratinijakal, Vichein

2017-01-01

In this research, near-infrared (NIR) spectroscopy in combination with moving window partial least squares-discrimination analysis (MWPLS-DA) was utilized to discriminate the variety of turmeric based on DNA markers, which correlated to the quantity of curcuminoid. Curcuminoid was used as a marker compound in variety identification due to the most pharmacological properties of turmeric possessed from it. MWPLS-DA optimized informative NIR spectral regions for the fitting and prediction to {-1/1}-coded turmeric varieties, indicating variables in the development of latent variables in discrimination analysis. Consequently, MWPLS-DA benefited in the selection of combined informative NIR spectral regions of 1100 – 1260, 1300 – 1500 and 1880 – 2500 nm for classification modeling of turmeric variety with 148 calibration samples, and yielded the results better than that obtained from a partial least squares-discrimination analysis (PLS-DA) model built by using the whole NIR spectral region. An effective and rapid strategy of using NIR in combination with MWPLS-DA provided the best variety identification results of 100% in both specificity and total accuracy for 48 test samples. (author)

[Main Components of Xinjiang Lavender Essential Oil Determined by Partial Least Squares and Near Infrared Spectroscopy].

Science.gov (United States)

Liao, Xiang; Wang, Qing; Fu, Ji-hong; Tang, Jun

2015-09-01

This work was undertaken to establish a quantitative analysis model which can rapid determinate the content of linalool, linalyl acetate of Xinjiang lavender essential oil. Totally 165 lavender essential oil samples were measured by using near infrared absorption spectrum (NIR), after analyzing the near infrared spectral absorption peaks of all samples, lavender essential oil have abundant chemical information and the interference of random noise may be relatively low on the spectral intervals of 7100~4500 cm(-1). Thus, the PLS models was constructed by using this interval for further analysis. 8 abnormal samples were eliminated. Through the clustering method, 157 lavender essential oil samples were divided into 105 calibration set samples and 52 validation set samples. Gas chromatography mass spectrometry (GC-MS) was used as a tool to determine the content of linalool and linalyl acetate in lavender essential oil. Then the matrix was established with the GC-MS raw data of two compounds in combination with the original NIR data. In order to optimize the model, different pretreatment methods were used to preprocess the raw NIR spectral to contrast the spectral filtering effect, after analysizing the quantitative model results of linalool and linalyl acetate, the root mean square error prediction (RMSEP) of orthogonal signal transformation (OSC) was 0.226, 0.558, spectrally, it was the optimum pretreatment method. In addition, forward interval partial least squares (FiPLS) method was used to exclude the wavelength points which has nothing to do with determination composition or present nonlinear correlation, finally 8 spectral intervals totally 160 wavelength points were obtained as the dataset. Combining the data sets which have optimized by OSC-FiPLS with partial least squares (PLS) to establish a rapid quantitative analysis model for determining the content of linalool and linalyl acetate in Xinjiang lavender essential oil, numbers of hidden variables of two

Least Squares Methods for Equidistant Tree Reconstruction

OpenAIRE

Fahey, Conor; Hosten, Serkan; Krieger, Nathan; Timpe, Leslie

2008-01-01

UPGMA is a heuristic method identifying the least squares equidistant phylogenetic tree given empirical distance data among $n$ taxa. We study this classic algorithm using the geometry of the space of all equidistant trees with $n$ leaves, also known as the Bergman complex of the graphical matroid for the complete graph $K_n$. We show that UPGMA performs an orthogonal projection of the data onto a maximal cell of the Bergman complex. We also show that the equidistant tree with the least (Eucl...

Least-squares finite element discretizations of neutron transport equations in 3 dimensions

Energy Technology Data Exchange (ETDEWEB)

Manteuffel, T.A [Univ. of Colorado, Boulder, CO (United States); Ressel, K.J. [Interdisciplinary Project Center for Supercomputing, Zurich (Switzerland); Starkes, G. [Universtaet Karlsruhe (Germany)

1996-12-31

The least-squares finite element framework to the neutron transport equation introduced in is based on the minimization of a least-squares functional applied to the properly scaled neutron transport equation. Here we report on some practical aspects of this approach for neutron transport calculations in three space dimensions. The systems of partial differential equations resulting from a P{sub 1} and P{sub 2} approximation of the angular dependence are derived. In the diffusive limit, the system is essentially a Poisson equation for zeroth moment and has a divergence structure for the set of moments of order 1. One of the key features of the least-squares approach is that it produces a posteriori error bounds. We report on the numerical results obtained for the minimum of the least-squares functional augmented by an additional boundary term using trilinear finite elements on a uniform tesselation into cubes.

Least-squares model-based halftoning

Science.gov (United States)

Pappas, Thrasyvoulos N.; Neuhoff, David L.

1992-08-01

A least-squares model-based approach to digital halftoning is proposed. It exploits both a printer model and a model for visual perception. It attempts to produce an 'optimal' halftoned reproduction, by minimizing the squared error between the response of the cascade of the printer and visual models to the binary image and the response of the visual model to the original gray-scale image. Conventional methods, such as clustered ordered dither, use the properties of the eye only implicitly, and resist printer distortions at the expense of spatial and gray-scale resolution. In previous work we showed that our printer model can be used to modify error diffusion to account for printer distortions. The modified error diffusion algorithm has better spatial and gray-scale resolution than conventional techniques, but produces some well known artifacts and asymmetries because it does not make use of an explicit eye model. Least-squares model-based halftoning uses explicit eye models and relies on printer models that predict distortions and exploit them to increase, rather than decrease, both spatial and gray-scale resolution. We have shown that the one-dimensional least-squares problem, in which each row or column of the image is halftoned independently, can be implemented with the Viterbi's algorithm. Unfortunately, no closed form solution can be found in two dimensions. The two-dimensional least squares solution is obtained by iterative techniques. Experiments show that least-squares model-based halftoning produces more gray levels and better spatial resolution than conventional techniques. We also show that the least- squares approach eliminates the problems associated with error diffusion. Model-based halftoning can be especially useful in transmission of high quality documents using high fidelity gray-scale image encoders. As we have shown, in such cases halftoning can be performed at the receiver, just before printing. Apart from coding efficiency, this approach

Soft sensor modelling by time difference, recursive partial least squares and adaptive model updating

International Nuclear Information System (INIS)

Fu, Y; Xu, O; Yang, W; Zhou, L; Wang, J

2017-01-01

To investigate time-variant and nonlinear characteristics in industrial processes, a soft sensor modelling method based on time difference, moving-window recursive partial least square (PLS) and adaptive model updating is proposed. In this method, time difference values of input and output variables are used as training samples to construct the model, which can reduce the effects of the nonlinear characteristic on modelling accuracy and retain the advantages of recursive PLS algorithm. To solve the high updating frequency of the model, a confidence value is introduced, which can be updated adaptively according to the results of the model performance assessment. Once the confidence value is updated, the model can be updated. The proposed method has been used to predict the 4-carboxy-benz-aldehyde (CBA) content in the purified terephthalic acid (PTA) oxidation reaction process. The results show that the proposed soft sensor modelling method can reduce computation effectively, improve prediction accuracy by making use of process information and reflect the process characteristics accurately. (paper)

Prediction of ferric iron precipitation in bioleaching process using partial least squares and artificial neural network

Directory of Open Access Journals (Sweden)

Golmohammadi Hassan

2013-01-01

Full Text Available A quantitative structure-property relationship (QSPR study based on partial least squares (PLS and artificial neural network (ANN was developed for the prediction of ferric iron precipitation in bioleaching process. The leaching temperature, initial pH, oxidation/reduction potential (ORP, ferrous concentration and particle size of ore were used as inputs to the network. The output of the model was ferric iron precipitation. The optimal condition of the neural network was obtained by adjusting various parameters by trial-and-error. After optimization and training of the network according to back-propagation algorithm, a 5-5-1 neural network was generated for prediction of ferric iron precipitation. The root mean square error for the neural network calculated ferric iron precipitation for training, prediction and validation set are 32.860, 40.739 and 35.890, respectively, which are smaller than those obtained by PLS model (180.972, 165.047 and 149.950, respectively. Results obtained reveal the reliability and good predictivity of neural network model for the prediction of ferric iron precipitation in bioleaching process.

Statistical CT noise reduction with multiscale decomposition and penalized weighted least squares in the projection domain

International Nuclear Information System (INIS)

Tang Shaojie; Tang Xiangyang

2012-01-01

Purposes: The suppression of noise in x-ray computed tomography (CT) imaging is of clinical relevance for diagnostic image quality and the potential for radiation dose saving. Toward this purpose, statistical noise reduction methods in either the image or projection domain have been proposed, which employ a multiscale decomposition to enhance the performance of noise suppression while maintaining image sharpness. Recognizing the advantages of noise suppression in the projection domain, the authors propose a projection domain multiscale penalized weighted least squares (PWLS) method, in which the angular sampling rate is explicitly taken into consideration to account for the possible variation of interview sampling rate in advanced clinical or preclinical applications. Methods: The projection domain multiscale PWLS method is derived by converting an isotropic diffusion partial differential equation in the image domain into the projection domain, wherein a multiscale decomposition is carried out. With adoption of the Markov random field or soft thresholding objective function, the projection domain multiscale PWLS method deals with noise at each scale. To compensate for the degradation in image sharpness caused by the projection domain multiscale PWLS method, an edge enhancement is carried out following the noise reduction. The performance of the proposed method is experimentally evaluated and verified using the projection data simulated by computer and acquired by a CT scanner. Results: The preliminary results show that the proposed projection domain multiscale PWLS method outperforms the projection domain single-scale PWLS method and the image domain multiscale anisotropic diffusion method in noise reduction. In addition, the proposed method can preserve image sharpness very well while the occurrence of “salt-and-pepper” noise and mosaic artifacts can be avoided. Conclusions: Since the interview sampling rate is taken into account in the projection domain

Improved variable reduction in partial least squares modelling based on predictive-property-ranked variables and adaptation of partial least squares complexity.

Science.gov (United States)

Andries, Jan P M; Vander Heyden, Yvan; Buydens, Lutgarde M C

2011-10-31

The calibration performance of partial least squares for one response variable (PLS1) can be improved by elimination of uninformative variables. Many methods are based on so-called predictive variable properties, which are functions of various PLS-model parameters, and which may change during the variable reduction process. In these methods variable reduction is made on the variables ranked in descending order for a given variable property. The methods start with full spectrum modelling. Iteratively, until a specified number of remaining variables is reached, the variable with the smallest property value is eliminated; a new PLS model is calculated, followed by a renewed ranking of the variables. The Stepwise Variable Reduction methods using Predictive-Property-Ranked Variables are denoted as SVR-PPRV. In the existing SVR-PPRV methods the PLS model complexity is kept constant during the variable reduction process. In this study, three new SVR-PPRV methods are proposed, in which a possibility for decreasing the PLS model complexity during the variable reduction process is build in. Therefore we denote our methods as PPRVR-CAM methods (Predictive-Property-Ranked Variable Reduction with Complexity Adapted Models). The selective and predictive abilities of the new methods are investigated and tested, using the absolute PLS regression coefficients as predictive property. They were compared with two modifications of existing SVR-PPRV methods (with constant PLS model complexity) and with two reference methods: uninformative variable elimination followed by either a genetic algorithm for PLS (UVE-GA-PLS) or an interval PLS (UVE-iPLS). The performance of the methods is investigated in conjunction with two data sets from near-infrared sources (NIR) and one simulated set. The selective and predictive performances of the variable reduction methods are compared statistically using the Wilcoxon signed rank test. The three newly developed PPRVR-CAM methods were able to retain

Source allocation by least-squares hydrocarbon fingerprint matching

Energy Technology Data Exchange (ETDEWEB)

William A. Burns; Stephen M. Mudge; A. Edward Bence; Paul D. Boehm; John S. Brown; David S. Page; Keith R. Parker [W.A. Burns Consulting Services LLC, Houston, TX (United States)

2006-11-01

There has been much controversy regarding the origins of the natural polycyclic aromatic hydrocarbon (PAH) and chemical biomarker background in Prince William Sound (PWS), Alaska, site of the 1989 Exxon Valdez oil spill. Different authors have attributed the sources to various proportions of coal, natural seep oil, shales, and stream sediments. The different probable bioavailabilities of hydrocarbons from these various sources can affect environmental damage assessments from the spill. This study compares two different approaches to source apportionment with the same data (136 PAHs and biomarkers) and investigate whether increasing the number of coal source samples from one to six increases coal attributions. The constrained least-squares (CLS) source allocation method that fits concentrations meets geologic and chemical constraints better than partial least-squares (PLS) which predicts variance. The field data set was expanded to include coal samples reported by others, and CLS fits confirm earlier findings of low coal contributions to PWS. 15 refs., 5 figs.

Partial least squares modeling of combined infrared, 1H NMR and 13C NMR spectra to predict long residue properties of crude oils

NARCIS (Netherlands)

de Peinder, P.; Visser, T.; Petrauskas, D.D.; Salvatori, F.; Soulimani, F.; Weckhuysen, B.M.

2009-01-01

Research has been carried out to determine the potential of partial least squares (PLS) modeling of mid-infrared (IR) spectra of crude oils combined with the corresponding 1H and 13C nuclear magnetic resonance (NMR) data, to predict the long residue (LR) properties of these substances. The study

Application of Fourier transform infrared spectroscopy and orthogonal projections to latent structures/partial least squares regression for estimation of procyanidins average degree of polymerisation.

Science.gov (United States)

Passos, Cláudia P; Cardoso, Susana M; Barros, António S; Silva, Carlos M; Coimbra, Manuel A

2010-02-28

Fourier transform infrared (FTIR) spectroscopy has being emphasised as a widespread technique in the quick assess of food components. In this work, procyanidins were extracted with methanol and acetone/water from the seeds of white and red grape varieties. A fractionation by graded methanol/chloroform precipitations allowed to obtain 26 samples that were characterised using thiolysis as pre-treatment followed by HPLC-UV and MS detection. The average degree of polymerisation (DPn) of the procyanidins in the samples ranged from 2 to 11 flavan-3-ol residues. FTIR spectroscopy within the wavenumbers region of 1800-700 cm(-1) allowed to build a partial least squares (PLS1) regression model with 8 latent variables (LVs) for the estimation of the DPn, giving a RMSECV of 11.7%, with a R(2) of 0.91 and a RMSEP of 2.58. The application of orthogonal projection to latent structures (O-PLS1) clarifies the interpretation of the regression model vectors. Moreover, the O-PLS procedure has removed 88% of non-correlated variations with the DPn, allowing to relate the increase of the absorbance peaks at 1203 and 1099 cm(-1) with the increase of the DPn due to the higher proportion of substitutions in the aromatic ring of the polymerised procyanidin molecules. Copyright 2009 Elsevier B.V. All rights reserved.

Prediction of long-residue properties of potential blends from mathematically mixed infrared spectra of pure crude oils by partial least-squares regression models

NARCIS (Netherlands)

de Peinder, P.; Visser, T.; Petrauskas, D.D.; Salvatori, F.; Soulimani, F.; Weckhuysen, B.M.

2009-01-01

Research has been carried out to determine the feasibility of partial least-squares (PLS) regression models to predict the long-residue (LR) properties of potential blends from infrared (IR) spectra that have been created by linearly co-adding the IR spectra of crude oils. The study is the follow-up

Constrained least squares regularization in PET

International Nuclear Information System (INIS)

Choudhury, K.R.; O'Sullivan, F.O.

1996-01-01

Standard reconstruction methods used in tomography produce images with undesirable negative artifacts in background and in areas of high local contrast. While sophisticated statistical reconstruction methods can be devised to correct for these artifacts, their computational implementation is excessive for routine operational use. This work describes a technique for rapid computation of approximate constrained least squares regularization estimates. The unique feature of the approach is that it involves no iterative projection or backprojection steps. This contrasts with the familiar computationally intensive algorithms based on algebraic reconstruction (ART) or expectation-maximization (EM) methods. Experimentation with the new approach for deconvolution and mixture analysis shows that the root mean square error quality of estimators based on the proposed algorithm matches and usually dominates that of more elaborate maximum likelihood, at a fraction of the computational effort

Baseline correction combined partial least squares algorithm and its application in on-line Fourier transform infrared quantitative analysis.

Science.gov (United States)

Peng, Jiangtao; Peng, Silong; Xie, Qiong; Wei, Jiping

2011-04-01

In order to eliminate the lower order polynomial interferences, a new quantitative calibration algorithm "Baseline Correction Combined Partial Least Squares (BCC-PLS)", which combines baseline correction and conventional PLS, is proposed. By embedding baseline correction constraints into PLS weights selection, the proposed calibration algorithm overcomes the uncertainty in baseline correction and can meet the requirement of on-line attenuated total reflectance Fourier transform infrared (ATR-FTIR) quantitative analysis. The effectiveness of the algorithm is evaluated by the analysis of glucose and marzipan ATR-FTIR spectra. BCC-PLS algorithm shows improved prediction performance over PLS. The root mean square error of cross-validation (RMSECV) on marzipan spectra for the prediction of the moisture is found to be 0.53%, w/w (range 7-19%). The sugar content is predicted with a RMSECV of 2.04%, w/w (range 33-68%). Copyright © 2011 Elsevier B.V. All rights reserved.

ANYOLS, Least Square Fit by Stepwise Regression

International Nuclear Information System (INIS)

Atwoods, C.L.; Mathews, S.

1986-01-01

Description of program or function: ANYOLS is a stepwise program which fits data using ordinary or weighted least squares. Variables are selected for the model in a stepwise way based on a user- specified input criterion or a user-written subroutine. The order in which variables are entered can be influenced by user-defined forcing priorities. Instead of stepwise selection, ANYOLS can try all possible combinations of any desired subset of the variables. Automatic output for the final model in a stepwise search includes plots of the residuals, 'studentized' residuals, and leverages; if the model is not too large, the output also includes partial regression and partial leverage plots. A data set may be re-used so that several selection criteria can be tried. Flexibility is increased by allowing the substitution of user-written subroutines for several default subroutines

A Weighted Least Squares Approach To Robustify Least Squares Estimates.

Science.gov (United States)

Lin, Chowhong; Davenport, Ernest C., Jr.

This study developed a robust linear regression technique based on the idea of weighted least squares. In this technique, a subsample of the full data of interest is drawn, based on a measure of distance, and an initial set of regression coefficients is calculated. The rest of the data points are then taken into the subsample, one after another,…

Performance Evaluation of the Ordinary Least Square (OLS) and ...

African Journals Online (AJOL)

Nana Kwasi Peprah

1Deparment of Geomatic Engineering, University of Mines and Technology, ... precise, accurate and can be used to execute any engineering works due to ..... and Ordinary Least Squares Methods”, Journal of Geomatics and Planning, Vol ... Technology”, Unpublished BSc Project Report, University of Mines and Technology ...

Spectrum unfolding by the least-squares methods

International Nuclear Information System (INIS)

Perey, F.G.

1977-01-01

The method of least squares is briefly reviewed, and the conditions under which it may be used are stated. From this analysis, a least-squares approach to the solution of the dosimetry neutron spectrum unfolding problem is introduced. The mathematical solution to this least-squares problem is derived from the general solution. The existence of this solution is analyzed in some detail. A chi 2 -test is derived for the consistency of the input data which does not require the solution to be obtained first. The fact that the problem is technically nonlinear, but should be treated in general as a linear one, is argued. Therefore, the solution should not be obtained by iteration. Two interpretations are made for the solution of the code STAY'SL, which solves this least-squares problem. The relationship of the solution to this least-squares problem to those obtained currently by other methods of solving the dosimetry neutron spectrum unfolding problem is extensively discussed. It is shown that the least-squares method does not require more input information than would be needed by current methods in order to estimate the uncertainties in their solutions. From this discussion it is concluded that the proposed least-squares method does provide the best complete solution, with uncertainties, to the problem as it is understood now. Finally, some implications of this method are mentioned regarding future work required in order to exploit its potential fully

Partial Least Square Approach to Second Order Factor in Behavioural Study of Accounting Information System

Directory of Open Access Journals (Sweden)

Ibrahim Mohd Tarmizi

2017-01-01

Full Text Available Theories are developed to explain an observed phenomenon in an effort to understand why and how things happen. Theories thus, use latent variables to estimate conceptual parameters. The level of abstraction depends, partly on the complexity of the theoretical model explaining the phenomenon. The conjugation of directly-measured variables leads to a formation of a first-order factor. A combination of theoretical underpinnings supporting an existence of a higher-order components, and statistical evidence pointing to such presence adds advantage for the researchers to investigate a phenomenon both at an aggregated and disjointed dimensions. As partial least square (PLS gains its tractions in theory development, behavioural accounting discipline in general should exploit the flexibility of PLS to work with the higher-order factors. However, technical guides are scarcely available. Therefore, this article presents a PLS approach to validate a higher-order factor on a statistical ground using accounting information system dataset.

Partial least squares based gene expression analysis in estrogen receptor positive and negative breast tumors.

Science.gov (United States)

Ma, W; Zhang, T-F; Lu, P; Lu, S H

2014-01-01

Breast cancer is categorized into two broad groups: estrogen receptor positive (ER+) and ER negative (ER-) groups. Previous study proposed that under trastuzumab-based neoadjuvant chemotherapy, tumor initiating cell (TIC) featured ER- tumors response better than ER+ tumors. Exploration of the molecular difference of these two groups may help developing new therapeutic strategies, especially for ER- patients. With gene expression profile from the Gene Expression Omnibus (GEO) database, we performed partial least squares (PLS) based analysis, which is more sensitive than common variance/regression analysis. We acquired 512 differentially expressed genes. Four pathways were found to be enriched with differentially expressed genes, involving immune system, metabolism and genetic information processing process. Network analysis identified five hub genes with degrees higher than 10, including APP, ESR1, SMAD3, HDAC2, and PRKAA1. Our findings provide new understanding for the molecular difference between TIC featured ER- and ER+ breast tumors with the hope offer supports for therapeutic studies.

Pemodelan Tingkat Penghunian Kamar Hotel di Kendari dengan Transformasi Wavelet Kontinu dan Partial Least Squares

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Margaretha Ohyver

2014-12-01

Full Text Available Multicollinearity and outliers are the common problems when estimating regression model.   Multicollinearitiy occurs when there are high correlations among predictor variables, leading to difficulties in separating the effects of each independent variable on the response variable. While, if outliers are present in the data to be analyzed, then the assumption of normality in the regression will be violated and the results of the analysis may be incorrect or misleading. Both of these cases occurred in the data on room occupancy rate of hotels in Kendari. The purpose of this study is to find a model for the data that is free of multicollinearity and outliers and to determine the factors that affect the level of room occupancy hotels in Kendari. The method used is Continuous Wavelet Transformation and Partial Least Squares. The result of this research is a regression model that is free of multicollinearity and a  pattern of data that resolved the present of outliers.

Mining for genotype-phenotype relations in Saccharomyces using partial least squares

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Sæbø Solve

2011-08-01

Full Text Available Abstract Background Multivariate approaches are important due to their versatility and applications in many fields as it provides decisive advantages over univariate analysis in many ways. Genome wide association studies are rapidly emerging, but approaches in hand pay less attention to multivariate relation between genotype and phenotype. We introduce a methodology based on a BLAST approach for extracting information from genomic sequences and Soft- Thresholding Partial Least Squares (ST-PLS for mapping genotype-phenotype relations. Results Applying this methodology to an extensive data set for the model yeast Saccharomyces cerevisiae, we found that the relationship between genotype-phenotype involves surprisingly few genes in the sense that an overwhelmingly large fraction of the phenotypic variation can be explained by variation in less than 1% of the full gene reference set containing 5791 genes. These phenotype influencing genes were evolving 20% faster than non-influential genes and were unevenly distributed over cellular functions, with strong enrichments in functions such as cellular respiration and transposition. These genes were also enriched with known paralogs, stop codon variations and copy number variations, suggesting that such molecular adjustments have had a disproportionate influence on Saccharomyces yeasts recent adaptation to environmental changes in its ecological niche. Conclusions BLAST and PLS based multivariate approach derived results that adhere to the known yeast phylogeny and gene ontology and thus verify that the methodology extracts a set of fast evolving genes that capture the phylogeny of the yeast strains. The approach is worth pursuing, and future investigations should be made to improve the computations of genotype signals as well as variable selection procedure within the PLS framework.

Radioisotopic neutron transmission spectrometry: Quantitative analysis by using partial least-squares method

International Nuclear Information System (INIS)

Kim, Jong-Yun; Choi, Yong Suk; Park, Yong Joon; Jung, Sung-Hee

2009-01-01

Neutron spectrometry, based on the scattering of high energy fast neutrons from a radioisotope and slowing-down by the light hydrogen atoms, is a useful technique for non-destructive, quantitative measurement of hydrogen content because it has a large measuring volume, and is not affected by temperature, pressure, pH value and color. The most common choice for radioisotope neutron source is 252 Cf or 241 Am-Be. In this study, 252 Cf with a neutron flux of 6.3x10 6 n/s has been used as an attractive neutron source because of its high flux neutron and weak radioactivity. Pulse-height neutron spectra have been obtained by using in-house built radioisotopic neutron spectrometric system equipped with 3 He detector and multi-channel analyzer, including a neutron shield. As a preliminary study, polyethylene block (density of ∼0.947 g/cc and area of 40 cmx25 cm) was used for the determination of hydrogen content by using multivariate calibration models, depending on the thickness of the block. Compared with the results obtained from a simple linear calibration model, partial least-squares regression (PLSR) method offered a better performance in a quantitative data analysis. It also revealed that the PLSR method in a neutron spectrometric system can be promising in the real-time, online monitoring of the powder process to determine the content of any type of molecules containing hydrogen nuclei.

Deformation analysis with Total Least Squares

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M. Acar

2006-01-01

Full Text Available Deformation analysis is one of the main research fields in geodesy. Deformation analysis process comprises measurement and analysis phases. Measurements can be collected using several techniques. The output of the evaluation of the measurements is mainly point positions. In the deformation analysis phase, the coordinate changes in the point positions are investigated. Several models or approaches can be employed for the analysis. One approach is based on a Helmert or similarity coordinate transformation where the displacements and the respective covariance matrix are transformed into a unique datum. Traditionally a Least Squares (LS technique is used for the transformation procedure. Another approach that could be introduced as an alternative methodology is the Total Least Squares (TLS that is considerably a new approach in geodetic applications. In this study, in order to determine point displacements, 3-D coordinate transformations based on the Helmert transformation model were carried out individually by the Least Squares (LS and the Total Least Squares (TLS, respectively. The data used in this study was collected by GPS technique in a landslide area located nearby Istanbul. The results obtained from these two approaches have been compared.

Multivariate analysis of remote LIBS spectra using partial least squares, principal component analysis, and related techniques

Energy Technology Data Exchange (ETDEWEB)

Clegg, Samuel M [Los Alamos National Laboratory; Barefield, James E [Los Alamos National Laboratory; Wiens, Roger C [Los Alamos National Laboratory; Sklute, Elizabeth [MT HOLYOKE COLLEGE; Dyare, Melinda D [MT HOLYOKE COLLEGE

2008-01-01

Quantitative analysis with LIBS traditionally employs calibration curves that are complicated by the chemical matrix effects. These chemical matrix effects influence the LIBS plasma and the ratio of elemental composition to elemental emission line intensity. Consequently, LIBS calibration typically requires a priori knowledge of the unknown, in order for a series of calibration standards similar to the unknown to be employed. In this paper, three new Multivariate Analysis (MV A) techniques are employed to analyze the LIBS spectra of 18 disparate igneous and highly-metamorphosed rock samples. Partial Least Squares (PLS) analysis is used to generate a calibration model from which unknown samples can be analyzed. Principal Components Analysis (PCA) and Soft Independent Modeling of Class Analogy (SIMCA) are employed to generate a model and predict the rock type of the samples. These MV A techniques appear to exploit the matrix effects associated with the chemistries of these 18 samples.

Prediction of octanol-water partition coefficients of organic compounds by multiple linear regression, partial least squares, and artificial neural network.

Science.gov (United States)

Golmohammadi, Hassan

2009-11-30

A quantitative structure-property relationship (QSPR) study was performed to develop models those relate the structure of 141 organic compounds to their octanol-water partition coefficients (log P(o/w)). A genetic algorithm was applied as a variable selection tool. Modeling of log P(o/w) of these compounds as a function of theoretically derived descriptors was established by multiple linear regression (MLR), partial least squares (PLS), and artificial neural network (ANN). The best selected descriptors that appear in the models are: atomic charge weighted partial positively charged surface area (PPSA-3), fractional atomic charge weighted partial positive surface area (FPSA-3), minimum atomic partial charge (Qmin), molecular volume (MV), total dipole moment of molecule (mu), maximum antibonding contribution of a molecule orbital in the molecule (MAC), and maximum free valency of a C atom in the molecule (MFV). The result obtained showed the ability of developed artificial neural network to prediction of partition coefficients of organic compounds. Also, the results revealed the superiority of ANN over the MLR and PLS models. Copyright 2009 Wiley Periodicals, Inc.

Least-squares reverse time migration of multiples

KAUST Repository

Zhang, Dongliang; Schuster, Gerard T.

2013-01-01

The theory of least-squares reverse time migration of multiples (RTMM) is presented. In this method, least squares migration (LSM) is used to image free-surface multiples where the recorded traces are used as the time histories of the virtual

Acceptance towards Goods and Services Tax (GST and Quality of Life: Antecedent and outcome using partial least square method

Directory of Open Access Journals (Sweden)

Arlinah Abd Rashid

2016-06-01

Full Text Available The good and service tax (GST in Malaysia was implemented in 2015 as a tax reform program to generate a stable source of revenue. This study explores the respondents’ behaviour towards GST, a week post-implementation. The partial least square (PLS modelling was used to establish the relationship between acceptance, knowledge and feelings towards GST as well as the household quality of life. There is a positive relationship between the antecedents and the quality of life. Acceptance of GST exerts a significant relationship towards feelings and quality of life. The study concludes that Malaysians, in general, accept GST that ensures a better quality of life in the future.

Real time flaw detection and characterization in tube through partial least squares and SVR: Application to eddy current testing

Science.gov (United States)

Ahmed, Shamim; Miorelli, Roberto; Calmon, Pierre; Anselmi, Nicola; Salucci, Marco

2018-04-01

This paper describes Learning-By-Examples (LBE) technique for performing quasi real time flaw localization and characterization within a conductive tube based on Eddy Current Testing (ECT) signals. Within the framework of LBE, the combination of full-factorial (i.e., GRID) sampling and Partial Least Squares (PLS) feature extraction (i.e., GRID-PLS) techniques are applied for generating a suitable training set in offine phase. Support Vector Regression (SVR) is utilized for model development and inversion during offine and online phases, respectively. The performance and robustness of the proposed GIRD-PLS/SVR strategy on noisy test set is evaluated and compared with standard GRID/SVR approach.

Unweighted least squares phase unwrapping by means of multigrid techniques

Science.gov (United States)

Pritt, Mark D.

1995-11-01

We present a multigrid algorithm for unweighted least squares phase unwrapping. This algorithm applies Gauss-Seidel relaxation schemes to solve the Poisson equation on smaller, coarser grids and transfers the intermediate results to the finer grids. This approach forms the basis of our multigrid algorithm for weighted least squares phase unwrapping, which is described in a separate paper. The key idea of our multigrid approach is to maintain the partial derivatives of the phase data in separate arrays and to correct these derivatives at the boundaries of the coarser grids. This maintains the boundary conditions necessary for rapid convergence to the correct solution. Although the multigrid algorithm is an iterative algorithm, we demonstrate that it is nearly as fast as the direct Fourier-based method. We also describe how to parallelize the algorithm for execution on a distributed-memory parallel processor computer or a network-cluster of workstations.

Flow-Injection Solid Phase Partial Least-Squares Spectrophotometric Simultaneous Determination of Iron, Nickel and Zinc

Directory of Open Access Journals (Sweden)

Teixeira Leonardo S. G.

2002-01-01

Full Text Available A PLS-2 multivariate calibration method has been developed for the simultaneous determination of iron, nickel and zinc in ternary mixtures by solid phase spectrophotometry associated with flow injection analysis. Fe(II, Ni(II and Zn(II form color complexes with 1-(2-thiazolylazo-2-naphthol (TAN, immobilized on a C18 bonded silica support, at pH 6.4. The proposed procedure is based on the different reaction/retention ratios of the studied ions on the solid support. Bilinear spectrophotometric data of the analytes, fixed in the solid support, were recorded in the 400-800 nm wavelength range as a function of time and a partial least squares (PLS-2 algorithm was used to predict results of synthetic samples. The calibration set employed was integrated by 8 ternary mixture standards and a blank solution. Mixtures containing 0.040 to 0.20 mg L-1, of each species, were successfully resolved, using 3 factors for each analyte and a restricted number of absorbance data obtained in the wavelength range from 560 to 650 nm.

A new stabilized least-squares imaging condition

International Nuclear Information System (INIS)

Vivas, Flor A; Pestana, Reynam C; Ursin, Bjørn

2009-01-01

The classical deconvolution imaging condition consists of dividing the upgoing wave field by the downgoing wave field and summing over all frequencies and sources. The least-squares imaging condition consists of summing the cross-correlation of the upgoing and downgoing wave fields over all frequencies and sources, and dividing the result by the total energy of the downgoing wave field. This procedure is more stable than using the classical imaging condition, but it still requires stabilization in zones where the energy of the downgoing wave field is small. To stabilize the least-squares imaging condition, the energy of the downgoing wave field is replaced by its average value computed in a horizontal plane in poorly illuminated regions. Applications to the Marmousi and Sigsbee2A data sets show that the stabilized least-squares imaging condition produces better images than the least-squares and cross-correlation imaging conditions

Time Scale in Least Square Method

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Özgür Yeniay

2014-01-01

Full Text Available Study of dynamic equations in time scale is a new area in mathematics. Time scale tries to build a bridge between real numbers and integers. Two derivatives in time scale have been introduced and called as delta and nabla derivative. Delta derivative concept is defined as forward direction, and nabla derivative concept is defined as backward direction. Within the scope of this study, we consider the method of obtaining parameters of regression equation of integer values through time scale. Therefore, we implemented least squares method according to derivative definition of time scale and obtained coefficients related to the model. Here, there exist two coefficients originating from forward and backward jump operators relevant to the same model, which are different from each other. Occurrence of such a situation is equal to total number of values of vertical deviation between regression equations and observation values of forward and backward jump operators divided by two. We also estimated coefficients for the model using ordinary least squares method. As a result, we made an introduction to least squares method on time scale. We think that time scale theory would be a new vision in least square especially when assumptions of linear regression are violated.

Least Squares Data Fitting with Applications

DEFF Research Database (Denmark)

Hansen, Per Christian; Pereyra, Víctor; Scherer, Godela

As one of the classical statistical regression techniques, and often the first to be taught to new students, least squares fitting can be a very effective tool in data analysis. Given measured data, we establish a relationship between independent and dependent variables so that we can use the data....... In a number of applications, the accuracy and efficiency of the least squares fit is central, and Per Christian Hansen, Víctor Pereyra, and Godela Scherer survey modern computational methods and illustrate them in fields ranging from engineering and environmental sciences to geophysics. Anyone working...... with problems of linear and nonlinear least squares fitting will find this book invaluable as a hands-on guide, with accessible text and carefully explained problems. Included are • an overview of computational methods together with their properties and advantages • topics from statistical regression analysis...

Determination of carbohydrates present in Saccharomyces cerevisiae using mid-infrared spectroscopy and partial least squares regression.

Science.gov (United States)

Plata, Maria R; Koch, Cosima; Wechselberger, Patrick; Herwig, Christoph; Lendl, Bernhard

2013-10-01

A fast and simple method to control variations in carbohydrate composition of Saccharomyces cerevisiae, baker's yeast, during fermentation was developed using mid-infrared (mid-IR) spectroscopy. The method allows for precise and accurate determinations with minimal or no sample preparation and reagent consumption based on mid-IR spectra and partial least squares (PLS) regression. The PLS models were developed employing the results from reference analysis of the yeast cells. The reference analyses quantify the amount of trehalose, glucose, glycogen, and mannan in S. cerevisiae. The selection and optimization of pretreatment steps of samples such as the disruption of the yeast cells and the hydrolysis of mannan and glycogen to obtain monosaccharides were carried out. Trehalose, glucose, and mannose were determined using high-performance liquid chromatography coupled with a refractive index detector and total carbohydrates were measured using the phenol-sulfuric method. Linear concentration range, accuracy, precision, LOD and LOQ were examined to check the reliability of the chromatographic method for each analyte.

Plane-wave Least-squares Reverse Time Migration

KAUST Repository

Dai, Wei

2012-11-04

Least-squares reverse time migration is formulated with a new parameterization, where the migration image of each shot is updated separately and a prestack image is produced with common image gathers. The advantage is that it can offer stable convergence for least-squares migration even when the migration velocity is not completely accurate. To significantly reduce computation cost, linear phase shift encoding is applied to hundreds of shot gathers to produce dozens of planes waves. A regularization term which penalizes the image difference between nearby angles are used to keep the prestack image consistent through all the angles. Numerical tests on a marine dataset is performed to illustrate the advantages of least-squares reverse time migration in the plane-wave domain. Through iterations of least-squares migration, the migration artifacts are reduced and the image resolution is improved. Empirical results suggest that the LSRTM in plane wave domain is an efficient method to improve the image quality and produce common image gathers.

Non-destructive and rapid prediction of moisture content in red pepper (Capsicum annuum L.) powder using near-infrared spectroscopy and a partial least squares regression model

Science.gov (United States)

Purpose: The aim of this study was to develop a technique for the non-destructive and rapid prediction of the moisture content in red pepper powder using near-infrared (NIR) spectroscopy and a partial least squares regression (PLSR) model. Methods: Three red pepper powder products were separated in...

Hybrid robust model based on an improved functional link neural network integrating with partial least square (IFLNN-PLS) and its application to predicting key process variables.

Science.gov (United States)

He, Yan-Lin; Xu, Yuan; Geng, Zhi-Qiang; Zhu, Qun-Xiong

2016-03-01

In this paper, a hybrid robust model based on an improved functional link neural network integrating with partial least square (IFLNN-PLS) is proposed. Firstly, an improved functional link neural network with small norm of expanded weights and high input-output correlation (SNEWHIOC-FLNN) was proposed for enhancing the generalization performance of FLNN. Unlike the traditional FLNN, the expanded variables of the original inputs are not directly used as the inputs in the proposed SNEWHIOC-FLNN model. The original inputs are attached to some small norm of expanded weights. As a result, the correlation coefficient between some of the expanded variables and the outputs is enhanced. The larger the correlation coefficient is, the more relevant the expanded variables tend to be. In the end, the expanded variables with larger correlation coefficient are selected as the inputs to improve the performance of the traditional FLNN. In order to test the proposed SNEWHIOC-FLNN model, three UCI (University of California, Irvine) regression datasets named Housing, Concrete Compressive Strength (CCS), and Yacht Hydro Dynamics (YHD) are selected. Then a hybrid model based on the improved FLNN integrating with partial least square (IFLNN-PLS) was built. In IFLNN-PLS model, the connection weights are calculated using the partial least square method but not the error back propagation algorithm. Lastly, IFLNN-PLS was developed as an intelligent measurement model for accurately predicting the key variables in the Purified Terephthalic Acid (PTA) process and the High Density Polyethylene (HDPE) process. Simulation results illustrated that the IFLNN-PLS could significant improve the prediction performance. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Simultaneous Determination of Iron, Copper and Cobalt in Food Samples by CCD-diode Array Detection-Flow Injection Analysis with Partial Least Squares Calibration Model

International Nuclear Information System (INIS)

Mi Jiaping; Li Yuanqian; Zhou Xiaoli; Zheng Bo; Zhou Ying

2006-01-01

A flow injection-CCD diode array detection spectrophotometry with partial least squares (PLS) program for simultaneous determination of iron, copper and cobalt in food samples has been established. The method was based on the chromogenic reaction of the three metal ions and 2- (5-Bromo-2-pyridylazo)-5-diethylaminophenol, 5-Br-PADAP in acetic acid - sodium acetate buffer solution (pH5) with Triton X-100 and ascorbic acid. The overlapped spectra of the colored complexes were collected by charge-coupled device (CCD) - diode array detector and the multi-wavelength absorbance data was processed using partial least squares (PLS) algorithm. Optimum reaction conditions and parameters of flow injection analysis were investigated. The samples of tea, sesame, laver, millet, cornmeal, mung bean and soybean powder were determined by the proposed method. The average recoveries of spiked samples were 91.80%∼100.9% for Iron, 92.50%∼108.0% for Copper, 93.00%∼110.5% for Cobalt, respectively with relative standard deviation (R.S.D) of 1.1%∼12.1%. The sampling rate is 45 samples h -1 . The determination results of the food samples were in good agreement between the proposed method and ICP-AES

Simultaneous Determination of Iron, Copper and Cobalt in Food Samples by CCD-diode Array Detection-Flow Injection Analysis with Partial Least Squares Calibration Model

Energy Technology Data Exchange (ETDEWEB)

Mi Jiaping; Li Yuanqian; Zhou Xiaoli; Zheng Bo; Zhou Ying [West China School of Public Health, Sichuan University, Chengdu, 610041 (China)

2006-01-01

A flow injection-CCD diode array detection spectrophotometry with partial least squares (PLS) program for simultaneous determination of iron, copper and cobalt in food samples has been established. The method was based on the chromogenic reaction of the three metal ions and 2- (5-Bromo-2-pyridylazo)-5-diethylaminophenol, 5-Br-PADAP in acetic acid - sodium acetate buffer solution (pH5) with Triton X-100 and ascorbic acid. The overlapped spectra of the colored complexes were collected by charge-coupled device (CCD) - diode array detector and the multi-wavelength absorbance data was processed using partial least squares (PLS) algorithm. Optimum reaction conditions and parameters of flow injection analysis were investigated. The samples of tea, sesame, laver, millet, cornmeal, mung bean and soybean powder were determined by the proposed method. The average recoveries of spiked samples were 91.80%{approx}100.9% for Iron, 92.50%{approx}108.0% for Copper, 93.00%{approx}110.5% for Cobalt, respectively with relative standard deviation (R.S.D) of 1.1%{approx}12.1%. The sampling rate is 45 samples h{sup -1}. The determination results of the food samples were in good agreement between the proposed method and ICP-AES.

Simultaneous Determination of Iron, Copper and Cobalt in Food Samples by CCD-diode Array Detection-Flow Injection Analysis with Partial Least Squares Calibration Model

Science.gov (United States)

Mi, Jiaping; Li, Yuanqian; Zhou, Xiaoli; Zheng, Bo; Zhou, Ying

2006-01-01

A flow injection-CCD diode array detection spectrophotometry with partial least squares (PLS) program for simultaneous determination of iron, copper and cobalt in food samples has been established. The method was based on the chromogenic reaction of the three metal ions and 2- (5-Bromo-2-pyridylazo)-5-diethylaminophenol, 5-Br-PADAP in acetic acid - sodium acetate buffer solution (pH5) with Triton X-100 and ascorbic acid. The overlapped spectra of the colored complexes were collected by charge-coupled device (CCD) - diode array detector and the multi-wavelength absorbance data was processed using partial least squares (PLS) algorithm. Optimum reaction conditions and parameters of flow injection analysis were investigated. The samples of tea, sesame, laver, millet, cornmeal, mung bean and soybean powder were determined by the proposed method. The average recoveries of spiked samples were 91.80%~100.9% for Iron, 92.50%~108.0% for Copper, 93.00%~110.5% for Cobalt, respectively with relative standard deviation (R.S.D) of 1.1%~12.1%. The sampling rate is 45 samples h-1. The determination results of the food samples were in good agreement between the proposed method and ICP-AES.

Simultaneous determination of penicillin G salts by infrared spectroscopy: Evaluation of combining orthogonal signal correction with radial basis function-partial least squares regression

Science.gov (United States)

Talebpour, Zahra; Tavallaie, Roya; Ahmadi, Seyyed Hamid; Abdollahpour, Assem

2010-09-01

In this study, a new method for the simultaneous determination of penicillin G salts in pharmaceutical mixture via FT-IR spectroscopy combined with chemometrics was investigated. The mixture of penicillin G salts is a complex system due to similar analytical characteristics of components. Partial least squares (PLS) and radial basis function-partial least squares (RBF-PLS) were used to develop the linear and nonlinear relation between spectra and components, respectively. The orthogonal signal correction (OSC) preprocessing method was used to correct unexpected information, such as spectral overlapping and scattering effects. In order to compare the influence of OSC on PLS and RBF-PLS models, the optimal linear (PLS) and nonlinear (RBF-PLS) models based on conventional and OSC preprocessed spectra were established and compared. The obtained results demonstrated that OSC clearly enhanced the performance of both RBF-PLS and PLS calibration models. Also in the case of some nonlinear relation between spectra and component, OSC-RBF-PLS gave satisfactory results than OSC-PLS model which indicated that the OSC was helpful to remove extrinsic deviations from linearity without elimination of nonlinear information related to component. The chemometric models were tested on an external dataset and finally applied to the analysis commercialized injection product of penicillin G salts.

A least-squares computational ''tool kit''

International Nuclear Information System (INIS)

Smith, D.L.

1993-04-01

The information assembled in this report is intended to offer a useful computational ''tool kit'' to individuals who are interested in a variety of practical applications for the least-squares method of parameter estimation. The fundamental principles of Bayesian analysis are outlined first and these are applied to development of both the simple and the generalized least-squares conditions. Formal solutions that satisfy these conditions are given subsequently. Their application to both linear and non-linear problems is described in detail. Numerical procedures required to implement these formal solutions are discussed and two utility computer algorithms are offered for this purpose (codes LSIOD and GLSIOD written in FORTRAN). Some simple, easily understood examples are included to illustrate the use of these algorithms. Several related topics are then addressed, including the generation of covariance matrices, the role of iteration in applications of least-squares procedures, the effects of numerical precision and an approach that can be pursued in developing data analysis packages that are directed toward special applications

Discrimination of Aurantii Fructus Immaturus and Fructus Poniciri Trifoliatae Immaturus by Flow Injection UV Spectroscopy (FIUV) and 1H NMR using Partial Least-squares Discriminant Analysis (PLS-DA)

Science.gov (United States)

Two simple fingerprinting methods, flow-injection UV spectroscopy (FIUV) and 1H nuclear magnetic resonance (NMR), for discrimination of Aurantii FructusImmaturus and Fructus Poniciri TrifoliataeImmaturususing were described. Both methods were combined with partial least-squares discriminant analysis...

Gene features selection for three-class disease classification via multiple orthogonal partial least square discriminant analysis and S-plot using microarray data.

Science.gov (United States)

Yang, Mingxing; Li, Xiumin; Li, Zhibin; Ou, Zhimin; Liu, Ming; Liu, Suhuan; Li, Xuejun; Yang, Shuyu

2013-01-01

DNA microarray analysis is characterized by obtaining a large number of gene variables from a small number of observations. Cluster analysis is widely used to analyze DNA microarray data to make classification and diagnosis of disease. Because there are so many irrelevant and insignificant genes in a dataset, a feature selection approach must be employed in data analysis. The performance of cluster analysis of this high-throughput data depends on whether the feature selection approach chooses the most relevant genes associated with disease classes. Here we proposed a new method using multiple Orthogonal Partial Least Squares-Discriminant Analysis (mOPLS-DA) models and S-plots to select the most relevant genes to conduct three-class disease classification and prediction. We tested our method using Golub's leukemia microarray data. For three classes with subtypes, we proposed hierarchical orthogonal partial least squares-discriminant analysis (OPLS-DA) models and S-plots to select features for two main classes and their subtypes. For three classes in parallel, we employed three OPLS-DA models and S-plots to choose marker genes for each class. The power of feature selection to classify and predict three-class disease was evaluated using cluster analysis. Further, the general performance of our method was tested using four public datasets and compared with those of four other feature selection methods. The results revealed that our method effectively selected the most relevant features for disease classification and prediction, and its performance was better than that of the other methods.

Partial Least Squares Based Gene Expression Analysis in EBV- Positive and EBV-Negative Posttransplant Lymphoproliferative Disorders.

Science.gov (United States)

Wu, Sa; Zhang, Xin; Li, Zhi-Ming; Shi, Yan-Xia; Huang, Jia-Jia; Xia, Yi; Yang, Hang; Jiang, Wen-Qi

2013-01-01

Post-transplant lymphoproliferative disorder (PTLD) is a common complication of therapeutic immunosuppression after organ transplantation. Gene expression profile facilitates the identification of biological difference between Epstein-Barr virus (EBV) positive and negative PTLDs. Previous studies mainly implemented variance/regression analysis without considering unaccounted array specific factors. The aim of this study is to investigate the gene expression difference between EBV positive and negative PTLDs through partial least squares (PLS) based analysis. With a microarray data set from the Gene Expression Omnibus database, we performed PLS based analysis. We acquired 1188 differentially expressed genes. Pathway and Gene Ontology enrichment analysis identified significantly over-representation of dysregulated genes in immune response and cancer related biological processes. Network analysis identified three hub genes with degrees higher than 15, including CREBBP, ATXN1, and PML. Proteins encoded by CREBBP and PML have been reported to be interact with EBV before. Our findings shed light on expression distinction of EBV positive and negative PTLDs with the hope to offer theoretical support for future therapeutic study.

Hyperspectral analysis of soil organic matter in coal mining regions using wavelets, correlations, and partial least squares regression.

Science.gov (United States)

Lin, Lixin; Wang, Yunjia; Teng, Jiyao; Wang, Xuchen

2016-02-01

Hyperspectral estimation of soil organic matter (SOM) in coal mining regions is an important tool for enhancing fertilization in soil restoration programs. The correlation--partial least squares regression (PLSR) method effectively solves the information loss problem of correlation--multiple linear stepwise regression, but results of the correlation analysis must be optimized to improve precision. This study considers the relationship between spectral reflectance and SOM based on spectral reflectance curves of soil samples collected from coal mining regions. Based on the major absorption troughs in the 400-1006 nm spectral range, PLSR analysis was performed using 289 independent bands of the second derivative (SDR) with three levels and measured SOM values. A wavelet-correlation-PLSR (W-C-PLSR) model was then constructed. By amplifying useful information that was previously obscured by noise, the W-C-PLSR model was optimal for estimating SOM content, with smaller prediction errors in both calibration (R(2) = 0.970, root mean square error (RMSEC) = 3.10, and mean relative error (MREC) = 8.75) and validation (RMSEV = 5.85 and MREV = 14.32) analyses, as compared with other models. Results indicate that W-C-PLSR has great potential to estimate SOM in coal mining regions.

Implementation of the Least-Squares Lattice with Order and Forgetting Factor Estimation for FPGA

Czech Academy of Sciences Publication Activity Database

Pohl, Zdeněk; Tichý, Milan; Kadlec, Jiří

2008-01-01

Roč. 2008, č. 2008 (2008), s. 1-11 ISSN 1687-6172 R&D Projects: GA MŠk(CZ) 1M0567 EU Projects: European Commission(XE) 027611 - AETHER Program:FP6 Institutional research plan: CEZ:AV0Z10750506 Keywords : DSP * Least-squares lattice * order estimation * exponential forgetting factor estimation * FPGA implementation * scheduling * dynamic reconfiguration * microblaze Subject RIV: IN - Informatics, Computer Science Impact factor: 1.055, year: 2008 http://library.utia.cas.cz/separaty/2008/ZS/pohl-tichy-kadlec-implementation%20of%20the%20least-squares%20lattice%20with%20order%20and%20forgetting%20factor%20estimation%20for%20fpga.pdf

Iterative least-squares solvers for the Navier-Stokes equations

Energy Technology Data Exchange (ETDEWEB)

Bochev, P. [Univ. of Texas, Arlington, TX (United States)

1996-12-31

In the recent years finite element methods of least-squares type have attracted considerable attention from both mathematicians and engineers. This interest has been motivated, to a large extent, by several valuable analytic and computational properties of least-squares variational principles. In particular, finite element methods based on such principles circumvent Ladyzhenskaya-Babuska-Brezzi condition and lead to symmetric and positive definite algebraic systems. Thus, it is not surprising that numerical solution of fluid flow problems has been among the most promising and successful applications of least-squares methods. In this context least-squares methods offer significant theoretical and practical advantages in the algorithmic design, which makes resulting methods suitable, among other things, for large-scale numerical simulations.

Quantitative Analysis of Adulterations in Oat Flour by FT-NIR Spectroscopy, Incomplete Unbalanced Randomized Block Design, and Partial Least Squares

Directory of Open Access Journals (Sweden)

Ning Wang

2014-01-01

Full Text Available This paper developed a rapid and nondestructive method for quantitative analysis of a cheaper adulterant (wheat flour in oat flour by NIR spectroscopy and chemometrics. Reflectance FT-NIR spectra in the range of 4000 to 12000 cm−1 of 300 oat flour objects adulterated with wheat flour were measured. The doping levels of wheat flour ranged from 5% to 50% (w/w. To ensure the generalization performance of the method, both the oat and the wheat flour samples were collected from different producing areas and an incomplete unbalanced randomized block (IURB design was performed to include the significant variations that may be encountered in future samples. Partial least squares regression (PLSR was used to develop calibration models for predicting the levels of wheat flour. Different preprocessing methods including smoothing, taking second-order derivative (D2, and standard normal variate (SNV transformation were investigated to improve the model accuracy of PLS. The root mean squared error of Monte Carlo cross-validation (RMSEMCCV and root mean squared error of prediction (RMSEP were 1.921 and 1.975 (%, w/w by D2-PLS, respectively. The results indicate that NIR and chemometrics can provide a rapid method for quantitative analysis of wheat flour in oat flour.

Prediction of toxicity of nitrobenzenes using ab initio and least squares support vector machines

International Nuclear Information System (INIS)

Niazi, Ali; Jameh-Bozorghi, Saeed; Nori-Shargh, Davood

2008-01-01

A quantitative structure-property relationship (QSPR) study is suggested for the prediction of toxicity (IGC 50 ) of nitrobenzenes. Ab initio theory was used to calculate some quantum chemical descriptors including electrostatic potentials and local charges at each atom, HOMO and LUMO energies, etc. Modeling of the IGC 50 of nitrobenzenes as a function of molecular structures was established by means of the least squares support vector machines (LS-SVM). This model was applied for the prediction of the toxicity (IGC 50 ) of nitrobenzenes, which were not in the modeling procedure. The resulted model showed high prediction ability with root mean square error of prediction of 0.0049 for LS-SVM. Results have shown that the introduction of LS-SVM for quantum chemical descriptors drastically enhances the ability of prediction in QSAR studies superior to multiple linear regression and partial least squares

A Newton Algorithm for Multivariate Total Least Squares Problems

Directory of Open Access Journals (Sweden)

WANG Leyang

2016-04-01

Full Text Available In order to improve calculation efficiency of parameter estimation, an algorithm for multivariate weighted total least squares adjustment based on Newton method is derived. The relationship between the solution of this algorithm and that of multivariate weighted total least squares adjustment based on Lagrange multipliers method is analyzed. According to propagation of cofactor, 16 computational formulae of cofactor matrices of multivariate total least squares adjustment are also listed. The new algorithm could solve adjustment problems containing correlation between observation matrix and coefficient matrix. And it can also deal with their stochastic elements and deterministic elements with only one cofactor matrix. The results illustrate that the Newton algorithm for multivariate total least squares problems could be practiced and have higher convergence rate.

Simultaneous spectrophotometric determination of trace copper, nickel, and cobalt ions in water samples using solid phase extraction coupled with partial least squares approaches

Science.gov (United States)

Guo, Yugao; Zhao, He; Han, Yelin; Liu, Xia; Guan, Shan; Zhang, Qingyin; Bian, Xihui

2017-02-01

A simultaneous spectrophotometric determination method for trace heavy metal ions based on solid-phase extraction coupled with partial least squares approaches was developed. In the proposed method, trace metal ions in aqueous samples were adsorbed by cation exchange fibers and desorbed by acidic solution from the fibers. After the ion preconcentration process, the enriched solution was detected by ultraviolet and visible spectrophotometer (UV-Vis). Then, the concentration of heavy metal ions were quantified by analyzing ultraviolet and visible spectrum with the help of partial least squares (PLS) approaches. Under the optimal conditions of operation time, flow rate and detection parameters, the overlapped absorption peaks of mixed ions were obtained. The experimental data showed that the concentration, which can be calculated through chemometrics method, of each metal ion increased significantly. The heavy metal ions can be enriched more than 80-fold. The limits of detection (LOD) for the target analytes of copper ions (Cu2 +), cobalt ions (Co2 +) and nickel ions (Ni2 +) mixture was 0.10 μg L- 1, 0.15 μg L- 1 and 0.13 μg L- 1, respectively. The relative standard deviations (RSD) were less than 5%. The performance of the solid-phase extraction can enrich the ions efficiently and the combined method of spectrophotometric detection and PLS can evaluate the ions concentration accurately. The work proposed here is an interesting and promising attempt for the trace ions determination in water samples and will have much more applied field.

Prediction for human intelligence using morphometric characteristics of cortical surface: partial least square analysis.

Science.gov (United States)

Yang, J-J; Yoon, U; Yun, H J; Im, K; Choi, Y Y; Lee, K H; Park, H; Hough, M G; Lee, J-M

2013-08-29

A number of imaging studies have reported neuroanatomical correlates of human intelligence with various morphological characteristics of the cerebral cortex. However, it is not yet clear whether these morphological properties of the cerebral cortex account for human intelligence. We assumed that the complex structure of the cerebral cortex could be explained effectively considering cortical thickness, surface area, sulcal depth and absolute mean curvature together. In 78 young healthy adults (age range: 17-27, male/female: 39/39), we used the full-scale intelligence quotient (FSIQ) and the cortical measurements calculated in native space from each subject to determine how much combining various cortical measures explained human intelligence. Since each cortical measure is thought to be not independent but highly inter-related, we applied partial least square (PLS) regression, which is one of the most promising multivariate analysis approaches, to overcome multicollinearity among cortical measures. Our results showed that 30% of FSIQ was explained by the first latent variable extracted from PLS regression analysis. Although it is difficult to relate the first derived latent variable with specific anatomy, we found that cortical thickness measures had a substantial impact on the PLS model supporting the most significant factor accounting for FSIQ. Our results presented here strongly suggest that the new predictor combining different morphometric properties of complex cortical structure is well suited for predicting human intelligence. Copyright © 2013 IBRO. Published by Elsevier Ltd. All rights reserved.

[MEG]PLS: A pipeline for MEG data analysis and partial least squares statistics.

Science.gov (United States)

Cheung, Michael J; Kovačević, Natasa; Fatima, Zainab; Mišić, Bratislav; McIntosh, Anthony R

2016-01-01

The emphasis of modern neurobiological theories has recently shifted from the independent function of brain areas to their interactions in the context of whole-brain networks. As a result, neuroimaging methods and analyses have also increasingly focused on network discovery. Magnetoencephalography (MEG) is a neuroimaging modality that captures neural activity with a high degree of temporal specificity, providing detailed, time varying maps of neural activity. Partial least squares (PLS) analysis is a multivariate framework that can be used to isolate distributed spatiotemporal patterns of neural activity that differentiate groups or cognitive tasks, to relate neural activity to behavior, and to capture large-scale network interactions. Here we introduce [MEG]PLS, a MATLAB-based platform that streamlines MEG data preprocessing, source reconstruction and PLS analysis in a single unified framework. [MEG]PLS facilitates MRI preprocessing, including segmentation and coregistration, MEG preprocessing, including filtering, epoching, and artifact correction, MEG sensor analysis, in both time and frequency domains, MEG source analysis, including multiple head models and beamforming algorithms, and combines these with a suite of PLS analyses. The pipeline is open-source and modular, utilizing functions from FieldTrip (Donders, NL), AFNI (NIMH, USA), SPM8 (UCL, UK) and PLScmd (Baycrest, CAN), which are extensively supported and continually developed by their respective communities. [MEG]PLS is flexible, providing both a graphical user interface and command-line options, depending on the needs of the user. A visualization suite allows multiple types of data and analyses to be displayed and includes 4-D montage functionality. [MEG]PLS is freely available under the GNU public license (http://meg-pls.weebly.com). Copyright © 2015 Elsevier Inc. All rights reserved.

Least-squares variance component estimation

NARCIS (Netherlands)

Teunissen, P.J.G.; Amiri-Simkooei, A.R.

2007-01-01

Least-squares variance component estimation (LS-VCE) is a simple, flexible and attractive method for the estimation of unknown variance and covariance components. LS-VCE is simple because it is based on the well-known principle of LS; it is flexible because it works with a user-defined weight

Discrimination of Transgenic Rice Based on Near Infrared Reflectance Spectroscopy and Partial Least Squares Regression Discriminant Analysis

Directory of Open Access Journals (Sweden)

ZHANG Long

2015-09-01

Full Text Available Near infrared reflectance spectroscopy (NIRS, a non-destructive measurement technique, was combined with partial least squares regression discrimiant analysis (PLS-DA to discriminate the transgenic (TCTP and mi166 and wild type (Zhonghua 11 rice. Furthermore, rice lines transformed with protein gene (OsTCTP and regulation gene (Osmi166 were also discriminated by the NIRS method. The performances of PLS-DA in spectral ranges of 4 000–8 000 cm-1 and 4 000–10 000 cm-1 were compared to obtain the optimal spectral range. As a result, the transgenic and wild type rice were distinguished from each other in the range of 4 000–10 000 cm-1, and the correct classification rate was 100.0% in the validation test. The transgenic rice TCTP and mi166 were also distinguished from each other in the range of 4 000–10 000 cm-1, and the correct classification rate was also 100.0%. In conclusion, NIRS combined with PLS-DA can be used for the discrimination of transgenic rice.

Simultaneous determination of six quality parameters of biodiesel through 1H NMR spectroscopy and partial least squares.

Science.gov (United States)

Shimamoto, Gustavo G; Tubino, Matthieu

2018-03-01

Biodiesel quality is checked by determining several parameters. Considering the large number of analyses in this verification, as well as the disadvantages of the use of toxic solvents and waste generation, multivariate calibration is suggested to reduce the number of tests. In this work, hydrogen nuclear magnetic resonance ( 1 H NMR) spectra were used to build multivariate models, from partial least squares (PLS), in order to perform simultaneous determination of six important quality parameters of biodiesel: density at 20°C, kinematic viscosity at 40°C, iodine value, acid number, oxidative stability, and water content. 1 H NMR spectrum reflects the structures of the compounds present in biodiesel and showed suitable correlations with the six parameters. In addition, the models were appropriate to predict all parameters for external samples. Thus, the alliance between 1 H NMR spectra and PLS was shown to be applicable to extract a lot of information about biodiesel quality, significantly reducing analysis time, reagent and solvent consumption, and waste generation. Copyright © 2017 Elsevier B.V. All rights reserved.

Prediction of CO concentrations based on a hybrid Partial Least Square and Support Vector Machine model

Science.gov (United States)

Yeganeh, B.; Motlagh, M. Shafie Pour; Rashidi, Y.; Kamalan, H.

2012-08-01

Due to the health impacts caused by exposures to air pollutants in urban areas, monitoring and forecasting of air quality parameters have become popular as an important topic in atmospheric and environmental research today. The knowledge on the dynamics and complexity of air pollutants behavior has made artificial intelligence models as a useful tool for a more accurate pollutant concentration prediction. This paper focuses on an innovative method of daily air pollution prediction using combination of Support Vector Machine (SVM) as predictor and Partial Least Square (PLS) as a data selection tool based on the measured values of CO concentrations. The CO concentrations of Rey monitoring station in the south of Tehran, from Jan. 2007 to Feb. 2011, have been used to test the effectiveness of this method. The hourly CO concentrations have been predicted using the SVM and the hybrid PLS-SVM models. Similarly, daily CO concentrations have been predicted based on the aforementioned four years measured data. Results demonstrated that both models have good prediction ability; however the hybrid PLS-SVM has better accuracy. In the analysis presented in this paper, statistic estimators including relative mean errors, root mean squared errors and the mean absolute relative error have been employed to compare performances of the models. It has been concluded that the errors decrease after size reduction and coefficients of determination increase from 56 to 81% for SVM model to 65-85% for hybrid PLS-SVM model respectively. Also it was found that the hybrid PLS-SVM model required lower computational time than SVM model as expected, hence supporting the more accurate and faster prediction ability of hybrid PLS-SVM model.

Classification of Fusarium-Infected Korean Hulled Barley Using Near-Infrared Reflectance Spectroscopy and Partial Least Squares Discriminant Analysis

Directory of Open Access Journals (Sweden)

Jongguk Lim

2017-09-01

Full Text Available The purpose of this study is to use near-infrared reflectance (NIR spectroscopy equipment to nondestructively and rapidly discriminate Fusarium-infected hulled barley. Both normal hulled barley and Fusarium-infected hulled barley were scanned by using a NIR spectrometer with a wavelength range of 1175 to 2170 nm. Multiple mathematical pretreatments were applied to the reflectance spectra obtained for Fusarium discrimination and the multivariate analysis method of partial least squares discriminant analysis (PLS-DA was used for discriminant prediction. The PLS-DA prediction model developed by applying the second-order derivative pretreatment to the reflectance spectra obtained from the side of hulled barley without crease achieved 100% accuracy in discriminating the normal hulled barley and the Fusarium-infected hulled barley. These results demonstrated the feasibility of rapid discrimination of the Fusarium-infected hulled barley by combining multivariate analysis with the NIR spectroscopic technique, which is utilized as a nondestructive detection method.

The least weighted squares I. The asymptotic linearity of normal equations

Czech Academy of Sciences Publication Activity Database

Víšek, Jan Ámos

2002-01-01

Roč. 9, č. 15 (2002), s. 31-58 ISSN 1212-074X R&D Projects: GA AV ČR KSK1019101 Grant - others:GA UK(CZ) 255/2002/A EK /FSV Institutional research plan: CEZ:AV0Z1075907 Keywords : the least weighted squares * robust regression * asymptotic normality and representation Subject RIV: BA - General Mathematics

Least-squares dual characterization for ROI assessment in emission tomography

International Nuclear Information System (INIS)

Ben Bouallègue, F; Mariano-Goulart, D; Crouzet, J F; Dubois, A; Buvat, I

2013-01-01

Our aim is to describe an original method for estimating the statistical properties of regions of interest (ROIs) in emission tomography. Drawn upon the works of Louis on the approximate inverse, we propose a dual formulation of the ROI estimation problem to derive the ROI activity and variance directly from the measured data without any image reconstruction. The method requires the definition of an ROI characteristic function that can be extracted from a co-registered morphological image. This characteristic function can be smoothed to optimize the resolution-variance tradeoff. An iterative procedure is detailed for the solution of the dual problem in the least-squares sense (least-squares dual (LSD) characterization), and a linear extrapolation scheme is described to compensate for sampling partial volume effect and reduce the estimation bias (LSD-ex). LSD and LSD-ex are compared with classical ROI estimation using pixel summation after image reconstruction and with Huesman's method. For this comparison, we used Monte Carlo simulations (GATE simulation tool) of 2D PET data of a Hoffman brain phantom containing three small uniform high-contrast ROIs and a large non-uniform low-contrast ROI. Our results show that the performances of LSD characterization are at least as good as those of the classical methods in terms of root mean square (RMS) error. For the three small tumor regions, LSD-ex allows a reduction in the estimation bias by up to 14%, resulting in a reduction in the RMS error of up to 8.5%, compared with the optimal classical estimation. For the large non-specific region, LSD using appropriate smoothing could intuitively and efficiently handle the resolution-variance tradeoff. (paper)

Least-squares dual characterization for ROI assessment in emission tomography

Science.gov (United States)

Ben Bouallègue, F.; Crouzet, J. F.; Dubois, A.; Buvat, I.; Mariano-Goulart, D.

2013-06-01

Our aim is to describe an original method for estimating the statistical properties of regions of interest (ROIs) in emission tomography. Drawn upon the works of Louis on the approximate inverse, we propose a dual formulation of the ROI estimation problem to derive the ROI activity and variance directly from the measured data without any image reconstruction. The method requires the definition of an ROI characteristic function that can be extracted from a co-registered morphological image. This characteristic function can be smoothed to optimize the resolution-variance tradeoff. An iterative procedure is detailed for the solution of the dual problem in the least-squares sense (least-squares dual (LSD) characterization), and a linear extrapolation scheme is described to compensate for sampling partial volume effect and reduce the estimation bias (LSD-ex). LSD and LSD-ex are compared with classical ROI estimation using pixel summation after image reconstruction and with Huesman's method. For this comparison, we used Monte Carlo simulations (GATE simulation tool) of 2D PET data of a Hoffman brain phantom containing three small uniform high-contrast ROIs and a large non-uniform low-contrast ROI. Our results show that the performances of LSD characterization are at least as good as those of the classical methods in terms of root mean square (RMS) error. For the three small tumor regions, LSD-ex allows a reduction in the estimation bias by up to 14%, resulting in a reduction in the RMS error of up to 8.5%, compared with the optimal classical estimation. For the large non-specific region, LSD using appropriate smoothing could intuitively and efficiently handle the resolution-variance tradeoff.

On Solution of Total Least Squares Problems with Multiple Right-hand Sides

Czech Academy of Sciences Publication Activity Database

Hnětynková, I.; Plešinger, Martin; Strakoš, Zdeněk

2008-01-01

Roč. 8, č. 1 (2008), s. 10815-10816 ISSN 1617-7061 R&D Projects: GA AV ČR IAA100300802 Institutional research plan: CEZ:AV0Z10300504 Keywords : total least squares problem * multiple right-hand sides * linear approximation problem Subject RIV: BA - General Mathematics

Incoherent dictionary learning for reducing crosstalk noise in least-squares reverse time migration

Science.gov (United States)

Wu, Juan; Bai, Min

2018-05-01

We propose to apply a novel incoherent dictionary learning (IDL) algorithm for regularizing the least-squares inversion in seismic imaging. The IDL is proposed to overcome the drawback of traditional dictionary learning algorithm in losing partial texture information. Firstly, the noisy image is divided into overlapped image patches, and some random patches are extracted for dictionary learning. Then, we apply the IDL technology to minimize the coherency between atoms during dictionary learning. Finally, the sparse representation problem is solved by a sparse coding algorithm, and image is restored by those sparse coefficients. By reducing the correlation among atoms, it is possible to preserve most of the small-scale features in the image while removing much of the long-wavelength noise. The application of the IDL method to regularization of seismic images from least-squares reverse time migration shows successful performance.

Regularization by truncated total least squares

DEFF Research Database (Denmark)

Hansen, Per Christian; Fierro, R.D; Golub, G.H

1997-01-01

The total least squares (TLS) method is a successful method for noise reduction in linear least squares problems in a number of applications. The TLS method is suited to problems in which both the coefficient matrix and the right-hand side are not precisely known. This paper focuses on the use...... schemes for relativistic hydrodynamical equations. Such an approximate Riemann solver is presented in this paper which treats all waves emanating from an initial discontinuity as themselves discontinuous. Therefore, jump conditions for shocks are approximately used for rarefaction waves. The solver...... is easy to implement in a Godunov scheme and converges rapidly for relativistic hydrodynamics. The fast convergence of the solver indicates the potential of a higher performance of a Godunov scheme in which the solver is used....

Consistency of the least weighted squares under heteroscedasticity

Czech Academy of Sciences Publication Activity Database

Víšek, Jan Ámos

2011-01-01

Roč. 2011, č. 47 (2011), s. 179-206 ISSN 0023-5954 Grant - others:GA UK(CZ) GA402/09/055 Institutional research plan: CEZ:AV0Z10750506 Keywords : Regression * Consistency * The least weighted squares * Heteroscedasticity Subject RIV: BB - Applied Statistics, Operational Research Impact factor: 0.454, year: 2011 http://library.utia.cas.cz/separaty/2011/SI/visek-consistency of the least weighted squares under heteroscedasticity.pdf

note: The least square nucleolus is a general nucleolus

OpenAIRE

Elisenda Molina; Juan Tejada

2000-01-01

This short note proves that the least square nucleolus (Ruiz et al. (1996)) and the lexicographical solution (Sakawa and Nishizaki (1994)) select the same imputation in each game with nonempty imputation set. As a consequence the least square nucleolus is a general nucleolus (Maschler et al. (1992)).

Rapid Quantitative Analysis of Forest Biomass Using Fourier Transform Infrared Spectroscopy and Partial Least Squares Regression

Directory of Open Access Journals (Sweden)

Gifty E. Acquah

2016-01-01

Full Text Available Fourier transform infrared reflectance (FTIR spectroscopy has been used to predict properties of forest logging residue, a very heterogeneous feedstock material. Properties studied included the chemical composition, thermal reactivity, and energy content. The ability to rapidly determine these properties is vital in the optimization of conversion technologies for the successful commercialization of biobased products. Partial least squares regression of first derivative treated FTIR spectra had good correlations with the conventionally measured properties. For the chemical composition, constructed models generally did a better job of predicting the extractives and lignin content than the carbohydrates. In predicting the thermochemical properties, models for volatile matter and fixed carbon performed very well (i.e., R2 > 0.80, RPD > 2.0. The effect of reducing the wavenumber range to the fingerprint region for PLS modeling and the relationship between the chemical composition and higher heating value of logging residue were also explored. This study is new and different in that it is the first to use FTIR spectroscopy to quantitatively analyze forest logging residue, an abundant resource that can be used as a feedstock in the emerging low carbon economy. Furthermore, it provides a complete and systematic characterization of this heterogeneous raw material.

Use of partial least squares discriminant analysis on visible-near infrared multispectral image data to examine germination ability and germ length in spinach seeds

DEFF Research Database (Denmark)

Shetty, Nisha; Olesen, Merete Halkjær; Gislum, René

2012-01-01

Because of the difficulties in obtaining homogenous germination of spinach seeds for baby leaf production, the possibility of using partial least squares discriminant analysis (PLS-DA) on features extracted from multispectral images of spinach seeds was investigated. The objective has been...... to discriminate between different seed sizes, as well as to predict germination ability and germ length. Images of 300 seeds including small, medium, and large seeds were taken, and the seeds were examined for germination ability and germ length. PLS-DA loadings plots were used to reduce the multidimensional...

Galerkin v. least-squares Petrov–Galerkin projection in nonlinear model reduction

International Nuclear Information System (INIS)

Carlberg, Kevin Thomas; Barone, Matthew F.; Antil, Harbir

2016-01-01

Least-squares Petrov–Galerkin (LSPG) model-reduction techniques such as the Gauss–Newton with Approximated Tensors (GNAT) method have shown promise, as they have generated stable, accurate solutions for large-scale turbulent, compressible flow problems where standard Galerkin techniques have failed. Furthermore, there has been limited comparative analysis of the two approaches. This is due in part to difficulties arising from the fact that Galerkin techniques perform optimal projection associated with residual minimization at the time-continuous level, while LSPG techniques do so at the time-discrete level. This work provides a detailed theoretical and computational comparison of the two techniques for two common classes of time integrators: linear multistep schemes and Runge–Kutta schemes. We present a number of new findings, including conditions under which the LSPG ROM has a time-continuous representation, conditions under which the two techniques are equivalent, and time-discrete error bounds for the two approaches. Perhaps most surprisingly, we demonstrate both theoretically and computationally that decreasing the time step does not necessarily decrease the error for the LSPG ROM; instead, the time step should be ‘matched’ to the spectral content of the reduced basis. In numerical experiments carried out on a turbulent compressible-flow problem with over one million unknowns, we show that increasing the time step to an intermediate value decreases both the error and the simulation time of the LSPG reduced-order model by an order of magnitude.

HPLC-MS and GC-MS analyses combined with orthogonal partial least squares to identify cytotoxic constituents from turmeric (Curcuma longa L.).

Science.gov (United States)

Jiang, Jianlan; Zhang, Huan; Li, Zidan; Zhang, Xiaohang; Su, Xin; Li, Yan; Qiao, Bin; Yuan, Yingjin

2013-08-01

We investigated the fingerprints of 48 batches of turmeric total extracts (TTE) by HPLC-MS-MS and GC-MS analyses and 43 characteristic peaks (22 constituents from HPLC-MS-MS; 21 from GC-MS) were analyzed qualitatively and quantitatively. An MTT {3-(4,5-dimethylthiazol-2-yl)- 2,5-diphenyltetrazolium bromide} assay was implemented to measure the cytotoxicity of the TTE against HeLa cells. Then we utilized orthogonal partial least squares analysis, which correlated the chemical composition of the TTE to its cytotoxic activity, to identify potential cytotoxic constituents from turmeric. The result showed that 19 constituents contributed significantly to the cytotoxicity. The obtained result was verified by canonical correlation analysis. Comparison with previous reports also indicated some interaction between the curcuminoids and sesquiterpenoids in turmeric.

Flow Applications of the Least Squares Finite Element Method

Science.gov (United States)

Jiang, Bo-Nan

1998-01-01

The main thrust of the effort has been towards the development, analysis and implementation of the least-squares finite element method (LSFEM) for fluid dynamics and electromagnetics applications. In the past year, there were four major accomplishments: 1) special treatments in computational fluid dynamics and computational electromagnetics, such as upwinding, numerical dissipation, staggered grid, non-equal order elements, operator splitting and preconditioning, edge elements, and vector potential are unnecessary; 2) the analysis of the LSFEM for most partial differential equations can be based on the bounded inverse theorem; 3) the finite difference and finite volume algorithms solve only two Maxwell equations and ignore the divergence equations; and 4) the first numerical simulation of three-dimensional Marangoni-Benard convection was performed using the LSFEM.

Wave-equation Q tomography and least-squares migration

KAUST Repository

Dutta, Gaurav

2016-03-01

This thesis designs new methods for Q tomography and Q-compensated prestack depth migration when the recorded seismic data suffer from strong attenuation. A motivation of this work is that the presence of gas clouds or mud channels in overburden structures leads to the distortion of amplitudes and phases in seismic waves propagating inside the earth. If the attenuation parameter Q is very strong, i.e., Q<30, ignoring the anelastic effects in imaging can lead to dimming of migration amplitudes and loss of resolution. This, in turn, adversely affects the ability to accurately predict reservoir properties below such layers. To mitigate this problem, I first develop an anelastic least-squares reverse time migration (Q-LSRTM) technique. I reformulate the conventional acoustic least-squares migration problem as a viscoacoustic linearized inversion problem. Using linearized viscoacoustic modeling and adjoint operators during the least-squares iterations, I show with numerical tests that Q-LSRTM can compensate for the amplitude loss and produce images with better balanced amplitudes than conventional migration. To estimate the background Q model that can be used for any Q-compensating migration algorithm, I then develop a wave-equation based optimization method that inverts for the subsurface Q distribution by minimizing a skeletonized misfit function ε. Here, ε is the sum of the squared differences between the observed and the predicted peak/centroid-frequency shifts of the early-arrivals. Through numerical tests on synthetic and field data, I show that noticeable improvements in the migration image quality can be obtained from Q models inverted using wave-equation Q tomography. A key feature of skeletonized inversion is that it is much less likely to get stuck in a local minimum than a standard waveform inversion method. Finally, I develop a preconditioning technique for least-squares migration using a directional Gabor-based preconditioning approach for isotropic

Application of least-squares method to decay heat evaluation

International Nuclear Information System (INIS)

Schmittroth, F.; Schenter, R.E.

1976-01-01

Generalized least-squares methods are applied to decay-heat experiments and summation calculations to arrive at evaluated values and uncertainties for the fission-product decay-heat from the thermal fission of 235 U. Emphasis is placed on a proper treatment of both statistical and correlated uncertainties in the least-squares method

Multiples least-squares reverse time migration

KAUST Repository

Zhang, Dongliang; Zhan, Ge; Dai, Wei; Schuster, Gerard T.

2013-01-01

To enhance the image quality, we propose multiples least-squares reverse time migration (MLSRTM) that transforms each hydrophone into a virtual point source with a time history equal to that of the recorded data. Since each recorded trace is treated

Classification of brain tumor extracts by high resolution ¹H MRS using partial least squares discriminant analysis

Directory of Open Access Journals (Sweden)

A.V. Faria

2011-02-01

Full Text Available High resolution proton nuclear magnetic resonance spectroscopy (¹H MRS can be used to detect biochemical changes in vitro caused by distinct pathologies. It can reveal distinct metabolic profiles of brain tumors although the accurate analysis and classification of different spectra remains a challenge. In this study, the pattern recognition method partial least squares discriminant analysis (PLS-DA was used to classify 11.7 T ¹H MRS spectra of brain tissue extracts from patients with brain tumors into four classes (high-grade neuroglial, low-grade neuroglial, non-neuroglial, and metastasis and a group of control brain tissue. PLS-DA revealed 9 metabolites as the most important in group differentiation: γ-aminobutyric acid, acetoacetate, alanine, creatine, glutamate/glutamine, glycine, myo-inositol, N-acetylaspartate, and choline compounds. Leave-one-out cross-validation showed that PLS-DA was efficient in group characterization. The metabolic patterns detected can be explained on the basis of previous multimodal studies of tumor metabolism and are consistent with neoplastic cell abnormalities possibly related to high turnover, resistance to apoptosis, osmotic stress and tumor tendency to use alternative energetic pathways such as glycolysis and ketogenesis.

Determination of Ethanol in Blood Samples Using Partial Least Square Regression Applied to Surface Enhanced Raman Spectroscopy.

Science.gov (United States)

Açikgöz, Güneş; Hamamci, Berna; Yildiz, Abdulkadir

2018-04-01

Alcohol consumption triggers toxic effect to organs and tissues in the human body. The risks are essentially thought to be related to ethanol content in alcoholic beverages. The identification of ethanol in blood samples requires rapid, minimal sample handling, and non-destructive analysis, such as Raman Spectroscopy. This study aims to apply Raman Spectroscopy for identification of ethanol in blood samples. Silver nanoparticles were synthesized to obtain Surface Enhanced Raman Spectroscopy (SERS) spectra of blood samples. The SERS spectra were used for Partial Least Square (PLS) for determining ethanol quantitatively. To apply PLS method, 920~820 cm -1 band interval was chosen and the spectral changes of the observed concentrations statistically associated with each other. The blood samples were examined according to this model and the quantity of ethanol was determined as that: first a calibration method was established. A strong relationship was observed between known concentration values and the values obtained by PLS method (R 2 = 1). Second instead of then, quantities of ethanol in 40 blood samples were predicted according to the calibration method. Quantitative analysis of the ethanol in the blood was done by analyzing the data obtained by Raman spectroscopy and the PLS method.

Kinetic microplate bioassays for relative potency of antibiotics improved by partial Least Square (PLS) regression.

Science.gov (United States)

Francisco, Fabiane Lacerda; Saviano, Alessandro Morais; Almeida, Túlia de Souza Botelho; Lourenço, Felipe Rebello

2016-05-01

Microbiological assays are widely used to estimate the relative potencies of antibiotics in order to guarantee the efficacy, safety, and quality of drug products. Despite of the advantages of turbidimetric bioassays when compared to other methods, it has limitations concerning the linearity and range of the dose-response curve determination. Here, we proposed to use partial least squares (PLS) regression to solve these limitations and to improve the prediction of relative potencies of antibiotics. Kinetic-reading microplate turbidimetric bioassays for apramacyin and vancomycin were performed using Escherichia coli (ATCC 8739) and Bacillus subtilis (ATCC 6633), respectively. Microbial growths were measured as absorbance up to 180 and 300min for apramycin and vancomycin turbidimetric bioassays, respectively. Conventional dose-response curves (absorbances or area under the microbial growth curve vs. log of antibiotic concentration) showed significant regression, however there were significant deviation of linearity. Thus, they could not be used for relative potency estimations. PLS regression allowed us to construct a predictive model for estimating the relative potencies of apramycin and vancomycin without over-fitting and it improved the linear range of turbidimetric bioassay. In addition, PLS regression provided predictions of relative potencies equivalent to those obtained from agar diffusion official methods. Therefore, we conclude that PLS regression may be used to estimate the relative potencies of antibiotics with significant advantages when compared to conventional dose-response curve determination. Copyright © 2016 Elsevier B.V. All rights reserved.

Partial Least Square Discriminant Analysis Discovered a Dietary Pattern Inversely Associated with Nasopharyngeal Carcinoma Risk.

Science.gov (United States)

Lo, Yen-Li; Pan, Wen-Harn; Hsu, Wan-Lun; Chien, Yin-Chu; Chen, Jen-Yang; Hsu, Mow-Ming; Lou, Pei-Jen; Chen, I-How; Hildesheim, Allan; Chen, Chien-Jen

2016-01-01

Evidence on the association between dietary component, dietary pattern and nasopharyngeal carcinoma (NPC) is scarce. A major challenge is the high degree of correlation among dietary constituents. We aimed to identify dietary pattern associated with NPC and to illustrate the dose-response relationship between the identified dietary pattern scores and the risk of NPC. Taking advantage of a matched NPC case-control study, data from a total of 319 incident cases and 319 matched controls were analyzed. Dietary pattern was derived employing partial least square discriminant analysis (PLS-DA) performed on energy-adjusted food frequencies derived from a 66-item food-frequency questionnaire. Odds ratios (ORs) and 95% confidence intervals (CIs) were estimated with multiple conditional logistic regression models, linking pattern scores and NPC risk. A high score of the PLS-DA derived pattern was characterized by high intakes of fruits, milk, fresh fish, vegetables, tea, and eggs ordered by loading values. We observed that one unit increase in the scores was associated with a significantly lower risk of NPC (ORadj = 0.73, 95% CI = 0.60-0.88) after controlling for potential confounders. Similar results were observed among Epstein-Barr virus seropositive subjects. An NPC protective diet is indicated with more phytonutrient-rich plant foods (fruits, vegetables), milk, other protein-rich foods (in particular fresh fish and eggs), and tea. This information may be used to design potential dietary regimen for NPC prevention.

Least squares methodology applied to LWR-PV damage dosimetry, experience and expectations

International Nuclear Information System (INIS)

Wagschal, J.J.; Broadhead, B.L.; Maerker, R.E.

1979-01-01

The development of an advanced methodology for Light Water Reactors (LWR) Pressure Vessel (PV) damage dosimetry applications is the subject of an ongoing EPRI-sponsored research project at ORNL. This methodology includes a generalized least squares approach to a combination of data. The data include measured foil activations, evaluated cross sections and calculated fluxes. The uncertainties associated with the data as well as with the calculational methods are an essential component of this methodology. Activation measurements in two NBS benchmark neutron fields ( 252 Cf ISNF) and in a prototypic reactor field (Oak Ridge Pool Critical Assembly - PCA) are being analyzed using a generalized least squares method. The sensitivity of the results to the representation of the uncertainties (covariances) was carefully checked. Cross element covariances were found to be of utmost importance

LSL: a logarithmic least-squares adjustment method

International Nuclear Information System (INIS)

Stallmann, F.W.

1982-01-01

To meet regulatory requirements, spectral unfolding codes must not only provide reliable estimates for spectral parameters, but must also be able to determine the uncertainties associated with these parameters. The newer codes, which are more appropriately called adjustment codes, use the least squares principle to determine estimates and uncertainties. The principle is simple and straightforward, but there are several different mathematical models to describe the unfolding problem. In addition to a sound mathematical model, ease of use and range of options are important considerations in the construction of adjustment codes. Based on these considerations, a least squares adjustment code for neutron spectrum unfolding has been constructed some time ago and tentatively named LSL

Sparse least-squares reverse time migration using seislets

KAUST Repository

Dutta, Gaurav

2015-08-19

We propose sparse least-squares reverse time migration (LSRTM) using seislets as a basis for the reflectivity distribution. This basis is used along with a dip-constrained preconditioner that emphasizes image updates only along prominent dips during the iterations. These dips can be estimated from the standard migration image or from the gradient using plane-wave destruction filters or structural tensors. Numerical tests on synthetic datasets demonstrate the benefits of this method for mitigation of aliasing artifacts and crosstalk noise in multisource least-squares migration.

Quantized kernel least mean square algorithm.

Science.gov (United States)

Chen, Badong; Zhao, Songlin; Zhu, Pingping; Príncipe, José C

2012-01-01

In this paper, we propose a quantization approach, as an alternative of sparsification, to curb the growth of the radial basis function structure in kernel adaptive filtering. The basic idea behind this method is to quantize and hence compress the input (or feature) space. Different from sparsification, the new approach uses the "redundant" data to update the coefficient of the closest center. In particular, a quantized kernel least mean square (QKLMS) algorithm is developed, which is based on a simple online vector quantization method. The analytical study of the mean square convergence has been carried out. The energy conservation relation for QKLMS is established, and on this basis we arrive at a sufficient condition for mean square convergence, and a lower and upper bound on the theoretical value of the steady-state excess mean square error. Static function estimation and short-term chaotic time-series prediction examples are presented to demonstrate the excellent performance.

Optimistic semi-supervised least squares classification

DEFF Research Database (Denmark)

Krijthe, Jesse H.; Loog, Marco

2017-01-01

The goal of semi-supervised learning is to improve supervised classifiers by using additional unlabeled training examples. In this work we study a simple self-learning approach to semi-supervised learning applied to the least squares classifier. We show that a soft-label and a hard-label variant ...

Avian skull morphological evolution: exploring exo- and endocranial covariation with two-block partial least squares.

Science.gov (United States)

Marugán-Lobón, Jesús; Buscalioni, Angela D

2006-01-01

While rostral variation has been the subject of detailed avian evolutionary research, avian skull organization, characterized by a flexed or extended appearance of the skull, has eventually become neglected by mainstream evolutionary inquiries. This study aims to recapture its significance, evaluating possible functional, phylogenetic and developmental factors that may be underlying it. In order to estimate which, and how, elements of the skull intervene in patterning the skull we tested the statistical interplay between a series of old mid-sagittal angular measurements (mostly endocranial) in combination with newly obtained skull metrics based on landmark superimposition methods (exclusively exocranial shape), by means of the statistic-morphometric technique of two-block partial least squares. As classic literature anticipated, we found that the external appearance of the skull corresponds to the way in which the plane of the caudal cranial base is oriented, in connection with the orientations of the plane of the foramen magnum and of the lateral semicircular canal. The pattern of covariation found between metrics conveys flexed or extended appearances of the skull implicitly within a single and statistically significant dimension of covariation. Marked shape changes with which angles covary concentrate at the supraoccipital bone, the cranial base and the antorbital window, whereas the plane measuring the orientation of the anterior portion of the rostrum does not intervene. Statistical covariance between elements of the caudal cranial base and the occiput inplies that morphological integration underlies avian skull macroevolutionary organization as a by-product of the regional concordance of such correlated elements within the early embryonic chordal domain of mesodermic origin.

Improved variable reduction in partial least squares modelling by Global-Minimum Error Uninformative-Variable Elimination.

Science.gov (United States)

Andries, Jan P M; Vander Heyden, Yvan; Buydens, Lutgarde M C

2017-08-22

The calibration performance of Partial Least Squares regression (PLS) can be improved by eliminating uninformative variables. For PLS, many variable elimination methods have been developed. One is the Uninformative-Variable Elimination for PLS (UVE-PLS). However, the number of variables retained by UVE-PLS is usually still large. In UVE-PLS, variable elimination is repeated as long as the root mean squared error of cross validation (RMSECV) is decreasing. The set of variables in this first local minimum is retained. In this paper, a modification of UVE-PLS is proposed and investigated, in which UVE is repeated until no further reduction in variables is possible, followed by a search for the global RMSECV minimum. The method is called Global-Minimum Error Uninformative-Variable Elimination for PLS, denoted as GME-UVE-PLS or simply GME-UVE. After each iteration, the predictive ability of the PLS model, built with the remaining variable set, is assessed by RMSECV. The variable set with the global RMSECV minimum is then finally selected. The goal is to obtain smaller sets of variables with similar or improved predictability than those from the classical UVE-PLS method. The performance of the GME-UVE-PLS method is investigated using four data sets, i.e. a simulated set, NIR and NMR spectra, and a theoretical molecular descriptors set, resulting in twelve profile-response (X-y) calibrations. The selective and predictive performances of the models resulting from GME-UVE-PLS are statistically compared to those from UVE-PLS and 1-step UVE, one-sided paired t-tests. The results demonstrate that variable reduction with the proposed GME-UVE-PLS method, usually eliminates significantly more variables than the classical UVE-PLS, while the predictive abilities of the resulting models are better. With GME-UVE-PLS, a lower number of uninformative variables, without a chemical meaning for the response, may be retained than with UVE-PLS. The selectivity of the classical UVE method

FC LSEI WNNLS, Least-Square Fitting Algorithms Using B Splines

International Nuclear Information System (INIS)

Hanson, R.J.; Haskell, K.H.

1989-01-01

1 - Description of problem or function: FC allows a user to fit dis- crete data, in a weighted least-squares sense, using piece-wise polynomial functions represented by B-Splines on a given set of knots. In addition to the least-squares fitting of the data, equality, inequality, and periodic constraints at a discrete, user-specified set of points can be imposed on the fitted curve or its derivatives. The subprograms LSEI and WNNLS solve the linearly-constrained least-squares problem. LSEI solves the class of problem with general inequality constraints, and, if requested, obtains a covariance matrix of the solution parameters. WNNLS solves the class of problem with non-negativity constraints. It is anticipated that most users will find LSEI suitable for their needs; however, users with inequalities that are single bounds on variables may wish to use WNNLS. 2 - Method of solution: The discrete data are fit by a linear combination of piece-wise polynomial curves which leads to a linear least-squares system of algebraic equations. Additional information is expressed as a discrete set of linear inequality and equality constraints on the fitted curve which leads to a linearly-constrained least-squares system of algebraic equations. The solution of this system is the main computational problem solved

Multi-source least-squares reverse time migration

KAUST Repository

Dai, Wei

2012-06-15

Least-squares migration has been shown to improve image quality compared to the conventional migration method, but its computational cost is often too high to be practical. In this paper, we develop two numerical schemes to implement least-squares migration with the reverse time migration method and the blended source processing technique to increase computation efficiency. By iterative migration of supergathers, which consist in a sum of many phase-encoded shots, the image quality is enhanced and the crosstalk noise associated with the encoded shots is reduced. Numerical tests on 2D HESS VTI data show that the multisource least-squares reverse time migration (LSRTM) algorithm suppresses migration artefacts, balances the amplitudes, improves image resolution and reduces crosstalk noise associated with the blended shot gathers. For this example, the multisource LSRTM is about three times faster than the conventional RTM method. For the 3D example of the SEG/EAGE salt model, with a comparable computational cost, multisource LSRTM produces images with more accurate amplitudes, better spatial resolution and fewer migration artefacts compared to conventional RTM. The empirical results suggest that multisource LSRTM can produce more accurate reflectivity images than conventional RTM does with a similar or less computational cost. The caveat is that the LSRTM image is sensitive to large errors in the migration velocity model. © 2012 European Association of Geoscientists & Engineers.

Multi-source least-squares reverse time migration

KAUST Repository

Dai, Wei; Fowler, Paul J.; Schuster, Gerard T.

2012-01-01

Least-squares migration has been shown to improve image quality compared to the conventional migration method, but its computational cost is often too high to be practical. In this paper, we develop two numerical schemes to implement least-squares migration with the reverse time migration method and the blended source processing technique to increase computation efficiency. By iterative migration of supergathers, which consist in a sum of many phase-encoded shots, the image quality is enhanced and the crosstalk noise associated with the encoded shots is reduced. Numerical tests on 2D HESS VTI data show that the multisource least-squares reverse time migration (LSRTM) algorithm suppresses migration artefacts, balances the amplitudes, improves image resolution and reduces crosstalk noise associated with the blended shot gathers. For this example, the multisource LSRTM is about three times faster than the conventional RTM method. For the 3D example of the SEG/EAGE salt model, with a comparable computational cost, multisource LSRTM produces images with more accurate amplitudes, better spatial resolution and fewer migration artefacts compared to conventional RTM. The empirical results suggest that multisource LSRTM can produce more accurate reflectivity images than conventional RTM does with a similar or less computational cost. The caveat is that the LSRTM image is sensitive to large errors in the migration velocity model. © 2012 European Association of Geoscientists & Engineers.

Multi-source least-squares migration of marine data

KAUST Repository

Wang, Xin

2012-11-04

Kirchhoff based multi-source least-squares migration (MSLSM) is applied to marine streamer data. To suppress the crosstalk noise from the excitation of multiple sources, a dynamic encoding function (including both time-shifts and polarity changes) is applied to the receiver side traces. Results show that the MSLSM images are of better quality than the standard Kirchhoff migration and reverse time migration images; moreover, the migration artifacts are reduced and image resolution is significantly improved. The computational cost of MSLSM is about the same as conventional least-squares migration, but its IO cost is significantly decreased.

Support-Vector-based Least Squares for learning non-linear dynamics

NARCIS (Netherlands)

de Kruif, B.J.; de Vries, Theodorus J.A.

2002-01-01

A function approximator is introduced that is based on least squares support vector machines (LSSVM) and on least squares (LS). The potential indicators for the LS method are chosen as the kernel functions of all the training samples similar to LSSVM. By selecting these as indicator functions the

Stochastic Least-Squares Petrov--Galerkin Method for Parameterized Linear Systems

Energy Technology Data Exchange (ETDEWEB)

Lee, Kookjin [Univ. of Maryland, College Park, MD (United States). Dept. of Computer Science; Carlberg, Kevin [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Elman, Howard C. [Univ. of Maryland, College Park, MD (United States). Dept. of Computer Science and Inst. for Advanced Computer Studies

2018-03-29

Here, we consider the numerical solution of parameterized linear systems where the system matrix, the solution, and the right-hand side are parameterized by a set of uncertain input parameters. We explore spectral methods in which the solutions are approximated in a chosen finite-dimensional subspace. It has been shown that the stochastic Galerkin projection technique fails to minimize any measure of the solution error. As a remedy for this, we propose a novel stochatic least-squares Petrov--Galerkin (LSPG) method. The proposed method is optimal in the sense that it produces the solution that minimizes a weighted $\\ell^2$-norm of the residual over all solutions in a given finite-dimensional subspace. Moreover, the method can be adapted to minimize the solution error in different weighted $\\ell^2$-norms by simply applying a weighting function within the least-squares formulation. In addition, a goal-oriented seminorm induced by an output quantity of interest can be minimized by defining a weighting function as a linear functional of the solution. We establish optimality and error bounds for the proposed method, and extensive numerical experiments show that the weighted LSPG method outperforms other spectral methods in minimizing corresponding target weighted norms.

Partial Least Squares and Neural Networks for Quantitative Calibration of Laser-induced Breakdown Spectroscopy (LIBs) of Geologic Samples

Science.gov (United States)

Anderson, R. B.; Morris, Richard V.; Clegg, S. M.; Humphries, S. D.; Wiens, R. C.; Bell, J. F., III; Mertzman, S. A.

2010-01-01

The ChemCam instrument [1] on the Mars Science Laboratory (MSL) rover will be used to obtain the chemical composition of surface targets within 7 m of the rover using Laser Induced Breakdown Spectroscopy (LIBS). ChemCam analyzes atomic emission spectra (240-800 nm) from a plasma created by a pulsed Nd:KGW 1067 nm laser. The LIBS spectra can be used in a semiquantitative way to rapidly classify targets (e.g., basalt, andesite, carbonate, sulfate, etc.) and in a quantitative way to estimate their major and minor element chemical compositions. Quantitative chemical analysis from LIBS spectra is complicated by a number of factors, including chemical matrix effects [2]. Recent work has shown promising results using multivariate techniques such as partial least squares (PLS) regression and artificial neural networks (ANN) to predict elemental abundances in samples [e.g. 2-6]. To develop, refine, and evaluate analysis schemes for LIBS spectra of geologic materials, we collected spectra of a diverse set of well-characterized natural geologic samples and are comparing the predictive abilities of PLS, cascade correlation ANN (CC-ANN) and multilayer perceptron ANN (MLP-ANN) analysis procedures.

Least-squares methods involving the H{sup -1} inner product

Energy Technology Data Exchange (ETDEWEB)

Pasciak, J.

1996-12-31

Least-squares methods are being shown to be an effective technique for the solution of elliptic boundary value problems. However, the methods differ depending on the norms in which they are formulated. For certain problems, it is much more natural to consider least-squares functionals involving the H{sup -1} norm. Such norms give rise to improved convergence estimates and better approximation to problems with low regularity solutions. In addition, fewer new variables need to be added and less stringent boundary conditions need to be imposed. In this talk, I will describe some recent developments involving least-squares methods utilizing the H{sup -1} inner product.

Plane-wave Least-squares Reverse Time Migration

KAUST Repository

Dai, Wei; Schuster, Gerard T.

2012-01-01

convergence for least-squares migration even when the migration velocity is not completely accurate. To significantly reduce computation cost, linear phase shift encoding is applied to hundreds of shot gathers to produce dozens of planes waves. A

Association between Multidrug-Resistant Tuberculosis and Risk Factors in China: Applying Partial Least Squares Path Modeling.

Directory of Open Access Journals (Sweden)

Yun-Xia Liu

Full Text Available Multidrug-resistant tuberculosis (MDR-TB resulting from various factors has raised serious public health concerns worldwide. Identifying the ecological risk factors associated with MDR-TB is critical to its prevention and control. This study aimed to explore the association between the development of MDR-TB and the risk factors at the group-level (ecological risk factors in China.Data on MDR-TB in 120 counties were obtained from the National Tuberculosis Information Management System, and data on risk-factor variables were extracted from the Health Statistical Yearbook, provincial databases, and the meteorological bureau of each province (municipality. Partial Least Square Path Modeling was used to detect the associations.The median proportion of MDR-TB in new TB cases was 3.96% (range, 0-39.39%. Six latent factors were extracted from the ecological risk factors, which explained 27.60% of the total variance overall in the prevalence of MDR-TB. Based on the results of PLS-PM, TB prevention, health resources, health services, TB treatment, TB detection, geography and climate factors were all associated with the risk of MDR-TB, but socioeconomic factors were not significant.The development of MDR-TB was influenced by TB prevention, health resources, health services, TB treatment, TB detection, geography and climate factors. Such information may help us to establish appropriate public health intervention strategies to prevent and control MDR-TB and yield benefits to the entire public health system in China.

The Occupancy Rate Modeling of Kendari Hotel Room using Mexican Hat Transformation and Partial Least Squares

Directory of Open Access Journals (Sweden)

Margaretha Ohyver

2016-12-01

Full Text Available Partial Least Squares (PLS method was developed in 1960 by Herman Wold. The method particularly suits with construct a regression model when the number of independent variables is many and highly collinear. The PLS can be combined with other methods, one of which is a Continuous Wavelet Transformation (CWT. By considering that the presence of outliers can lead to a less reliable model, and this kind of transformation may be required at a stage of pre-processing, the data is free of noise or outliers. Based on the previous study, Kendari hotel room occupancy rate was affected by the outlier, and it had a low value of R2. Therefore, this research aimed to obtain a good model by combining the PLS method and CWT transformation using the Mexican Hats them other wavelet of CWT. The research concludes that merging the PLS and the Mexican Hat transformation has resulted in a better model compared to the model that combined the PLS and the Haar wavelet transformation as shown in the previous study. The research shows that by changing the mother of the wavelet, the value of R2 can be improved significantly. The result provides information on how to increase the value of R2. The other advantage is the information for hotel managements to notice the age of the hotel, the maximum rates, the facilities, and the number of rooms to increase the number of visitors.

Regularized plane-wave least-squares Kirchhoff migration

KAUST Repository

Wang, Xin; Dai, Wei; Schuster, Gerard T.

2013-01-01

A Kirchhoff least-squares migration (LSM) is developed in the prestack plane-wave domain to increase the quality of migration images. A regularization term is included that accounts for mispositioning of reflectors due to errors in the velocity

Least squares reverse time migration of controlled order multiples

Science.gov (United States)

Liu, Y.

2016-12-01

Imaging using the reverse time migration of multiples generates inherent crosstalk artifacts due to the interference among different order multiples. Traditionally, least-square fitting has been used to address this issue by seeking the best objective function to measure the amplitude differences between the predicted and observed data. We have developed an alternative objective function by decomposing multiples into different orders to minimize the difference between Born modeling predicted multiples and specific-order multiples from observational data in order to attenuate the crosstalk. This method is denoted as the least-squares reverse time migration of controlled order multiples (LSRTM-CM). Our numerical examples demonstrated that the LSRTM-CM can significantly improve image quality compared with reverse time migration of multiples and least-square reverse time migration of multiples. Acknowledgments This research was funded by the National Nature Science Foundation of China (Grant Nos. 41430321 and 41374138).

Prediction of retention indices for frequently reported compounds of plant essential oils using multiple linear regression, partial least squares, and support vector machine.

Science.gov (United States)

Yan, Jun; Huang, Jian-Hua; He, Min; Lu, Hong-Bing; Yang, Rui; Kong, Bo; Xu, Qing-Song; Liang, Yi-Zeng

2013-08-01

Retention indices for frequently reported compounds of plant essential oils on three different stationary phases were investigated. Multivariate linear regression, partial least squares, and support vector machine combined with a new variable selection approach called random-frog recently proposed by our group, were employed to model quantitative structure-retention relationships. Internal and external validations were performed to ensure the stability and predictive ability. All the three methods could obtain an acceptable model, and the optimal results by support vector machine based on a small number of informative descriptors with the square of correlation coefficient for cross validation, values of 0.9726, 0.9759, and 0.9331 on the dimethylsilicone stationary phase, the dimethylsilicone phase with 5% phenyl groups, and the PEG stationary phase, respectively. The performances of two variable selection approaches, random-frog and genetic algorithm, are compared. The importance of the variables was found to be consistent when estimated from correlation coefficients in multivariate linear regression equations and selection probability in model spaces. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Total least squares for anomalous change detection

Science.gov (United States)

Theiler, James; Matsekh, Anna M.

2010-04-01

A family of subtraction-based anomalous change detection algorithms is derived from a total least squares (TLSQ) framework. This provides an alternative to the well-known chronochrome algorithm, which is derived from ordinary least squares. In both cases, the most anomalous changes are identified with the pixels that exhibit the largest residuals with respect to the regression of the two images against each other. The family of TLSQbased anomalous change detectors is shown to be equivalent to the subspace RX formulation for straight anomaly detection, but applied to the stacked space. However, this family is not invariant to linear coordinate transforms. On the other hand, whitened TLSQ is coordinate invariant, and special cases of it are equivalent to canonical correlation analysis and optimized covariance equalization. What whitened TLSQ offers is a generalization of these algorithms with the potential for better performance.

Accurate human limb angle measurement: sensor fusion through Kalman, least mean squares and recursive least-squares adaptive filtering

Science.gov (United States)

Olivares, A.; Górriz, J. M.; Ramírez, J.; Olivares, G.

2011-02-01

Inertial sensors are widely used in human body motion monitoring systems since they permit us to determine the position of the subject's limbs. Limb angle measurement is carried out through the integration of the angular velocity measured by a rate sensor and the decomposition of the components of static gravity acceleration measured by an accelerometer. Different factors derived from the sensors' nature, such as the angle random walk and dynamic bias, lead to erroneous measurements. Dynamic bias effects can be reduced through the use of adaptive filtering based on sensor fusion concepts. Most existing published works use a Kalman filtering sensor fusion approach. Our aim is to perform a comparative study among different adaptive filters. Several least mean squares (LMS), recursive least squares (RLS) and Kalman filtering variations are tested for the purpose of finding the best method leading to a more accurate and robust limb angle measurement. A new angle wander compensation sensor fusion approach based on LMS and RLS filters has been developed.

Accurate human limb angle measurement: sensor fusion through Kalman, least mean squares and recursive least-squares adaptive filtering

International Nuclear Information System (INIS)

Olivares, A; Olivares, G; Górriz, J M; Ramírez, J

2011-01-01

Inertial sensors are widely used in human body motion monitoring systems since they permit us to determine the position of the subject's limbs. Limb angle measurement is carried out through the integration of the angular velocity measured by a rate sensor and the decomposition of the components of static gravity acceleration measured by an accelerometer. Different factors derived from the sensors' nature, such as the angle random walk and dynamic bias, lead to erroneous measurements. Dynamic bias effects can be reduced through the use of adaptive filtering based on sensor fusion concepts. Most existing published works use a Kalman filtering sensor fusion approach. Our aim is to perform a comparative study among different adaptive filters. Several least mean squares (LMS), recursive least squares (RLS) and Kalman filtering variations are tested for the purpose of finding the best method leading to a more accurate and robust limb angle measurement. A new angle wander compensation sensor fusion approach based on LMS and RLS filters has been developed

Hierarchical Cluster-based Partial Least Squares Regression (HC-PLSR is an efficient tool for metamodelling of nonlinear dynamic models

Directory of Open Access Journals (Sweden)

Omholt Stig W

2011-06-01

Full Text Available Abstract Background Deterministic dynamic models of complex biological systems contain a large number of parameters and state variables, related through nonlinear differential equations with various types of feedback. A metamodel of such a dynamic model is a statistical approximation model that maps variation in parameters and initial conditions (inputs to variation in features of the trajectories of the state variables (outputs throughout the entire biologically relevant input space. A sufficiently accurate mapping can be exploited both instrumentally and epistemically. Multivariate regression methodology is a commonly used approach for emulating dynamic models. However, when the input-output relations are highly nonlinear or non-monotone, a standard linear regression approach is prone to give suboptimal results. We therefore hypothesised that a more accurate mapping can be obtained by locally linear or locally polynomial regression. We present here a new method for local regression modelling, Hierarchical Cluster-based PLS regression (HC-PLSR, where fuzzy C-means clustering is used to separate the data set into parts according to the structure of the response surface. We compare the metamodelling performance of HC-PLSR with polynomial partial least squares regression (PLSR and ordinary least squares (OLS regression on various systems: six different gene regulatory network models with various types of feedback, a deterministic mathematical model of the mammalian circadian clock and a model of the mouse ventricular myocyte function. Results Our results indicate that multivariate regression is well suited for emulating dynamic models in systems biology. The hierarchical approach turned out to be superior to both polynomial PLSR and OLS regression in all three test cases. The advantage, in terms of explained variance and prediction accuracy, was largest in systems with highly nonlinear functional relationships and in systems with positive feedback

Hierarchical cluster-based partial least squares regression (HC-PLSR) is an efficient tool for metamodelling of nonlinear dynamic models.

Science.gov (United States)

Tøndel, Kristin; Indahl, Ulf G; Gjuvsland, Arne B; Vik, Jon Olav; Hunter, Peter; Omholt, Stig W; Martens, Harald

2011-06-01

Deterministic dynamic models of complex biological systems contain a large number of parameters and state variables, related through nonlinear differential equations with various types of feedback. A metamodel of such a dynamic model is a statistical approximation model that maps variation in parameters and initial conditions (inputs) to variation in features of the trajectories of the state variables (outputs) throughout the entire biologically relevant input space. A sufficiently accurate mapping can be exploited both instrumentally and epistemically. Multivariate regression methodology is a commonly used approach for emulating dynamic models. However, when the input-output relations are highly nonlinear or non-monotone, a standard linear regression approach is prone to give suboptimal results. We therefore hypothesised that a more accurate mapping can be obtained by locally linear or locally polynomial regression. We present here a new method for local regression modelling, Hierarchical Cluster-based PLS regression (HC-PLSR), where fuzzy C-means clustering is used to separate the data set into parts according to the structure of the response surface. We compare the metamodelling performance of HC-PLSR with polynomial partial least squares regression (PLSR) and ordinary least squares (OLS) regression on various systems: six different gene regulatory network models with various types of feedback, a deterministic mathematical model of the mammalian circadian clock and a model of the mouse ventricular myocyte function. Our results indicate that multivariate regression is well suited for emulating dynamic models in systems biology. The hierarchical approach turned out to be superior to both polynomial PLSR and OLS regression in all three test cases. The advantage, in terms of explained variance and prediction accuracy, was largest in systems with highly nonlinear functional relationships and in systems with positive feedback loops. HC-PLSR is a promising approach for

Solution of a Complex Least Squares Problem with Constrained Phase.

Science.gov (United States)

Bydder, Mark

2010-12-30

The least squares solution of a complex linear equation is in general a complex vector with independent real and imaginary parts. In certain applications in magnetic resonance imaging, a solution is desired such that each element has the same phase. A direct method for obtaining the least squares solution to the phase constrained problem is described.

Iterative methods for weighted least-squares

Energy Technology Data Exchange (ETDEWEB)

Bobrovnikova, E.Y.; Vavasis, S.A. [Cornell Univ., Ithaca, NY (United States)

1996-12-31

A weighted least-squares problem with a very ill-conditioned weight matrix arises in many applications. Because of round-off errors, the standard conjugate gradient method for solving this system does not give the correct answer even after n iterations. In this paper we propose an iterative algorithm based on a new type of reorthogonalization that converges to the solution.

A Generalized Autocovariance Least-Squares Method for Covariance Estimation

DEFF Research Database (Denmark)

Åkesson, Bernt Magnus; Jørgensen, John Bagterp; Poulsen, Niels Kjølstad

2007-01-01

A generalization of the autocovariance least- squares method for estimating noise covariances is presented. The method can estimate mutually correlated system and sensor noise and can be used with both the predicting and the filtering form of the Kalman filter.......A generalization of the autocovariance least- squares method for estimating noise covariances is presented. The method can estimate mutually correlated system and sensor noise and can be used with both the predicting and the filtering form of the Kalman filter....

Multiclass Prediction with Partial Least Square Regression for Gene Expression Data: Applications in Breast Cancer Intrinsic Taxonomy

Directory of Open Access Journals (Sweden)

Chi-Cheng Huang

2013-01-01

Full Text Available Multiclass prediction remains an obstacle for high-throughput data analysis such as microarray gene expression profiles. Despite recent advancements in machine learning and bioinformatics, most classification tools were limited to the applications of binary responses. Our aim was to apply partial least square (PLS regression for breast cancer intrinsic taxonomy, of which five distinct molecular subtypes were identified. The PAM50 signature genes were used as predictive variables in PLS analysis, and the latent gene component scores were used in binary logistic regression for each molecular subtype. The 139 prototypical arrays for PAM50 development were used as training dataset, and three independent microarray studies with Han Chinese origin were used for independent validation (n=535. The agreement between PAM50 centroid-based single sample prediction (SSP and PLS-regression was excellent (weighted Kappa: 0.988 within the training samples, but deteriorated substantially in independent samples, which could attribute to much more unclassified samples by PLS-regression. If these unclassified samples were removed, the agreement between PAM50 SSP and PLS-regression improved enormously (weighted Kappa: 0.829 as opposed to 0.541 when unclassified samples were analyzed. Our study ascertained the feasibility of PLS-regression in multi-class prediction, and distinct clinical presentations and prognostic discrepancies were observed across breast cancer molecular subtypes.

Predictive-property-ranked variable reduction in partial least squares modelling with final complexity adapted models: comparison of properties for ranking.

Science.gov (United States)

Andries, Jan P M; Vander Heyden, Yvan; Buydens, Lutgarde M C

2013-01-14

The calibration performance of partial least squares regression for one response (PLS1) can be improved by eliminating uninformative variables. Many variable-reduction methods are based on so-called predictor-variable properties or predictive properties, which are functions of various PLS-model parameters, and which may change during the steps of the variable-reduction process. Recently, a new predictive-property-ranked variable reduction method with final complexity adapted models, denoted as PPRVR-FCAM or simply FCAM, was introduced. It is a backward variable elimination method applied on the predictive-property-ranked variables. The variable number is first reduced, with constant PLS1 model complexity A, until A variables remain, followed by a further decrease in PLS complexity, allowing the final selection of small numbers of variables. In this study for three data sets the utility and effectiveness of six individual and nine combined predictor-variable properties are investigated, when used in the FCAM method. The individual properties include the absolute value of the PLS1 regression coefficient (REG), the significance of the PLS1 regression coefficient (SIG), the norm of the loading weight (NLW) vector, the variable importance in the projection (VIP), the selectivity ratio (SR), and the squared correlation coefficient of a predictor variable with the response y (COR). The selective and predictive performances of the models resulting from the use of these properties are statistically compared using the one-tailed Wilcoxon signed rank test. The results indicate that the models, resulting from variable reduction with the FCAM method, using individual or combined properties, have similar or better predictive abilities than the full spectrum models. After mean-centring of the data, REG and SIG, provide low numbers of informative variables, with a meaning relevant to the response, and lower than the other individual properties, while the predictive abilities are

Multilevel weighted least squares polynomial approximation

KAUST Repository

Haji-Ali, Abdul-Lateef

2017-06-30

Weighted least squares polynomial approximation uses random samples to determine projections of functions onto spaces of polynomials. It has been shown that, using an optimal distribution of sample locations, the number of samples required to achieve quasi-optimal approximation in a given polynomial subspace scales, up to a logarithmic factor, linearly in the dimension of this space. However, in many applications, the computation of samples includes a numerical discretization error. Thus, obtaining polynomial approximations with a single level method can become prohibitively expensive, as it requires a sufficiently large number of samples, each computed with a sufficiently small discretization error. As a solution to this problem, we propose a multilevel method that utilizes samples computed with different accuracies and is able to match the accuracy of single-level approximations with reduced computational cost. We derive complexity bounds under certain assumptions about polynomial approximability and sample work. Furthermore, we propose an adaptive algorithm for situations where such assumptions cannot be verified a priori. Finally, we provide an efficient algorithm for the sampling from optimal distributions and an analysis of computationally favorable alternative distributions. Numerical experiments underscore the practical applicability of our method.

Sub-Model Partial Least Squares for Improved Accuracy in Quantitative Laser Induced Breakdown Spectroscopy

Science.gov (United States)

Anderson, R. B.; Clegg, S. M.; Frydenvang, J.

2015-12-01

One of the primary challenges faced by the ChemCam instrument on the Curiosity Mars rover is developing a regression model that can accurately predict the composition of the wide range of target types encountered (basalts, calcium sulfate, feldspar, oxides, etc.). The original calibration used 69 rock standards to train a partial least squares (PLS) model for each major element. By expanding the suite of calibration samples to >400 targets spanning a wider range of compositions, the accuracy of the model was improved, but some targets with "extreme" compositions (e.g. pure minerals) were still poorly predicted. We have therefore developed a simple method, referred to as "submodel PLS", to improve the performance of PLS across a wide range of target compositions. In addition to generating a "full" (0-100 wt.%) PLS model for the element of interest, we also generate several overlapping submodels (e.g. for SiO2, we generate "low" (0-50 wt.%), "mid" (30-70 wt.%), and "high" (60-100 wt.%) models). The submodels are generally more accurate than the "full" model for samples within their range because they are able to adjust for matrix effects that are specific to that range. To predict the composition of an unknown target, we first predict the composition with the submodels and the "full" model. Then, based on the predicted composition from the "full" model, the appropriate submodel prediction can be used (e.g. if the full model predicts a low composition, use the "low" model result, which is likely to be more accurate). For samples with "full" predictions that occur in a region of overlap between submodels, the submodel predictions are "blended" using a simple linear weighted sum. The submodel PLS method shows improvements in most of the major elements predicted by ChemCam and reduces the occurrence of negative predictions for low wt.% targets. Submodel PLS is currently being used in conjunction with ICA regression for the major element compositions of ChemCam data.

PENGGUNAAN PARTIAL LEAST SQUARE REGRESSION (PLSR UNTUK MENGATASI MULTIKOLINEARITAS DALAM ESTIMASI KLOROFIL DAUN TANAMAN PADI DENGAN CITRA HIPERSPEKTRAL

Directory of Open Access Journals (Sweden)

Abdi Sukmono

2015-02-01

Full Text Available Klorofil merupakan pigmen yang paling penting dalam proses fotosintesis. Tanaman sehat yang mampu tumbuh maksimum umumnya  memiliki jumlah klorofil yang lebih besar daripada tanaman yang tidak sehat. Dalam Estimasi kandungan klorofil tanaman padi dengan airborne hiperspektral dibutuhkan model khusus untuk mendaaptkan akurasi yang baik. Citra Hhiperspektral mempunyai ratusan band dan julat yang sempit pada setiap bandnya, sehingga mempunyai kemampuan yang cukup baik untuk estimasi klorofil. Akan tetapi karena julat yang cukup sempit ini menyebabkan adanya efek multikolinearitas. Objek dari penelitian ini mengembangkan reflektan in situ menjadi model  estimasi kandungan klorofil tanaman padi untuk citra airborne hiperspektral dengan menggunakan metode partial least square regression untuk menghilangkan efek multikolinearitas.  Dalam penelitian ini dengan menggunakan teknik hubungan reflektan dan klorofil dipilih band-band yang berhungan dan efektif untuk estimasi klorofil. Dari hasil seleksi tersebut terpilih 44 band yang efektif untuk estimasi kandungan klorofil daun tanaman padi. Hasil dari penelitian ini menunjukkan mertode PLSR dapat menghasilkan model yang cukup baik untuk estimasi kandungan klorofil tanaman padi dengan nilai Koefisien determinasi (R2 mencapai 0.75 pada PC no 11 dan mempunyai RMSE sebesar 1.44 SPAD unit. Validasi menggunakan data citra airborne hiperspektral menghasilkan RMSE sebesar 1.07 SPAD Unit.

Optimally weighted least-squares steganalysis

Science.gov (United States)

Ker, Andrew D.

2007-02-01

Quantitative steganalysis aims to estimate the amount of payload in a stego object, and such estimators seem to arise naturally in steganalysis of Least Significant Bit (LSB) replacement in digital images. However, as with all steganalysis, the estimators are subject to errors, and their magnitude seems heavily dependent on properties of the cover. In very recent work we have given the first derivation of estimation error, for a certain method of steganalysis (the Least-Squares variant of Sample Pairs Analysis) of LSB replacement steganography in digital images. In this paper we make use of our theoretical results to find an improved estimator and detector. We also extend the theoretical analysis to another (more accurate) steganalysis estimator (Triples Analysis) and hence derive an improved version of that estimator too. Experimental results show that the new steganalyzers have improved accuracy, particularly in the difficult case of never-compressed covers.

Prediction of Biomass Production and Nutrient Uptake in Land Application Using Partial Least Squares Regression Analysis

Directory of Open Access Journals (Sweden)

Vasileios A. Tzanakakis

2014-12-01

Full Text Available Partial Least Squares Regression (PLSR can integrate a great number of variables and overcome collinearity problems, a fact that makes it suitable for intensive agronomical practices such as land application. In the present study a PLSR model was developed to predict important management goals, including biomass production and nutrient recovery (i.e., nitrogen and phosphorus, associated with treatment potential, environmental impacts, and economic benefits. Effluent loading and a considerable number of soil parameters commonly monitored in effluent irrigated lands were considered as potential predictor variables during the model development. All data were derived from a three year field trial including plantations of four different plant species (Acacia cyanophylla, Eucalyptus camaldulensis, Populus nigra, and Arundo donax, irrigated with pre-treated domestic effluent. PLSR method was very effective despite the small sample size and the wide nature of data set (with many highly correlated inputs and several highly correlated responses. Through PLSR method the number of initial predictor variables was reduced and only several variables were remained and included in the final PLSR model. The important input variables maintained were: Effluent loading, electrical conductivity (EC, available phosphorus (Olsen-P, Na+, Ca2+, Mg2+, K2+, SAR, and NO3−-N. Among these variables, effluent loading, EC, and nitrates had the greater contribution to the final PLSR model. PLSR is highly compatible with intensive agronomical practices such as land application, in which a large number of highly collinear and noisy input variables is monitored to assess plant species performance and to detect impacts on the environment.

Multilevel solvers of first-order system least-squares for Stokes equations

Energy Technology Data Exchange (ETDEWEB)

Lai, Chen-Yao G. [National Chung Cheng Univ., Chia-Yi (Taiwan, Province of China)

1996-12-31

Recently, The use of first-order system least squares principle for the approximate solution of Stokes problems has been extensively studied by Cai, Manteuffel, and McCormick. In this paper, we study multilevel solvers of first-order system least-squares method for the generalized Stokes equations based on the velocity-vorticity-pressure formulation in three dimensions. The least-squares functionals is defined to be the sum of the L{sup 2}-norms of the residuals, which is weighted appropriately by the Reynolds number. We develop convergence analysis for additive and multiplicative multilevel methods applied to the resulting discrete equations.

A Fortran 77 computer code for damped least-squares inversion of Slingram electromagnetic anomalies over thin tabular conductors

Science.gov (United States)

Dondurur, Derman; Sarı, Coşkun

2004-07-01

A FORTRAN 77 computer code is presented that permits the inversion of Slingram electromagnetic anomalies to an optimal conductor model. Damped least-squares inversion algorithm is used to estimate the anomalous body parameters, e.g. depth, dip and surface projection point of the target. Iteration progress is controlled by maximum relative error value and iteration continued until a tolerance value was satisfied, while the modification of Marquardt's parameter is controlled by sum of the squared errors value. In order to form the Jacobian matrix, the partial derivatives of theoretical anomaly expression with respect to the parameters being optimised are calculated by numerical differentiation by using first-order forward finite differences. A theoretical and two field anomalies are inserted to test the accuracy and applicability of the present inversion program. Inversion of the field data indicated that depth and the surface projection point parameters of the conductor are estimated correctly, however, considerable discrepancies appeared on the estimated dip angles. It is therefore concluded that the most important factor resulting in the misfit between observed and calculated data is due to the fact that the theory used for computing Slingram anomalies is valid for only thin conductors and this assumption might have caused incorrect dip estimates in the case of wide conductors.

The possibilities of least-squares migration of internally scattered seismic energy

KAUST Repository

Aldawood, Ali

2015-05-26

Approximate images of the earth’s subsurface structures are usually obtained by migrating surface seismic data. Least-squares migration, under the single-scattering assumption, is used as an iterative linearized inversion scheme to suppress migration artifacts, deconvolve the source signature, mitigate the acquisition fingerprint, and enhance the spatial resolution of migrated images. The problem with least-squares migration of primaries, however, is that it may not be able to enhance events that are mainly illuminated by internal multiples, such as vertical and nearly vertical faults or salt flanks. To alleviate this problem, we adopted a linearized inversion framework to migrate internally scattered energy. We apply the least-squares migration of first-order internal multiples to image subsurface vertical fault planes. Tests on synthetic data demonstrated the ability of the proposed method to resolve vertical fault planes, which are poorly illuminated by the least-squares migration of primaries only. The proposed scheme is robust in the presence of white Gaussian observational noise and in the case of imaging the fault planes using inaccurate migration velocities. Our results suggested that the proposed least-squares imaging, under the double-scattering assumption, still retrieved the vertical fault planes when imaging the scattered data despite a slight defocusing of these events due to the presence of noise or velocity errors.

The possibilities of least-squares migration of internally scattered seismic energy

KAUST Repository

Aldawood, Ali; Hoteit, Ibrahim; Zuberi, Mohammad; Turkiyyah, George; Alkhalifah, Tariq Ali

2015-01-01

Approximate images of the earth’s subsurface structures are usually obtained by migrating surface seismic data. Least-squares migration, under the single-scattering assumption, is used as an iterative linearized inversion scheme to suppress migration artifacts, deconvolve the source signature, mitigate the acquisition fingerprint, and enhance the spatial resolution of migrated images. The problem with least-squares migration of primaries, however, is that it may not be able to enhance events that are mainly illuminated by internal multiples, such as vertical and nearly vertical faults or salt flanks. To alleviate this problem, we adopted a linearized inversion framework to migrate internally scattered energy. We apply the least-squares migration of first-order internal multiples to image subsurface vertical fault planes. Tests on synthetic data demonstrated the ability of the proposed method to resolve vertical fault planes, which are poorly illuminated by the least-squares migration of primaries only. The proposed scheme is robust in the presence of white Gaussian observational noise and in the case of imaging the fault planes using inaccurate migration velocities. Our results suggested that the proposed least-squares imaging, under the double-scattering assumption, still retrieved the vertical fault planes when imaging the scattered data despite a slight defocusing of these events due to the presence of noise or velocity errors.

Multivariate estimation of the limit of detection by orthogonal partial least squares in temperature-modulated MOX sensors.

Science.gov (United States)

Burgués, Javier; Marco, Santiago

2018-08-17

Metal oxide semiconductor (MOX) sensors are usually temperature-modulated and calibrated with multivariate models such as partial least squares (PLS) to increase the inherent low selectivity of this technology. The multivariate sensor response patterns exhibit heteroscedastic and correlated noise, which suggests that maximum likelihood methods should outperform PLS. One contribution of this paper is the comparison between PLS and maximum likelihood principal components regression (MLPCR) in MOX sensors. PLS is often criticized by the lack of interpretability when the model complexity increases beyond the chemical rank of the problem. This happens in MOX sensors due to cross-sensitivities to interferences, such as temperature or humidity and non-linearity. Additionally, the estimation of fundamental figures of merit, such as the limit of detection (LOD), is still not standardized in multivariate models. Orthogonalization methods, such as orthogonal projection to latent structures (O-PLS), have been successfully applied in other fields to reduce the complexity of PLS models. In this work, we propose a LOD estimation method based on applying the well-accepted univariate LOD formulas to the scores of the first component of an orthogonal PLS model. The resulting LOD is compared to the multivariate LOD range derived from error-propagation. The methodology is applied to data extracted from temperature-modulated MOX sensors (FIS SB-500-12 and Figaro TGS 3870-A04), aiming at the detection of low concentrations of carbon monoxide in the presence of uncontrolled humidity (chemical noise). We found that PLS models were simpler and more accurate than MLPCR models. Average LOD values of 0.79 ppm (FIS) and 1.06 ppm (Figaro) were found using the approach described in this paper. These values were contained within the LOD ranges obtained with the error-propagation approach. The mean LOD increased to 1.13 ppm (FIS) and 1.59 ppm (Figaro) when considering validation samples

Elastic least-squares reverse time migration

KAUST Repository

Feng, Zongcai; Schuster, Gerard T.

2016-01-01

Elastic least-squares reverse time migration (LSRTM) is used to invert synthetic particle-velocity data and crosswell pressure field data. The migration images consist of both the P- and Svelocity perturbation images. Numerical tests on synthetic and field data illustrate the advantages of elastic LSRTM over elastic reverse time migration (RTM). In addition, elastic LSRTM images are better focused and have better reflector continuity than do the acoustic LSRTM images.

Elastic least-squares reverse time migration

KAUST Repository

Feng, Zongcai

2016-09-06

Elastic least-squares reverse time migration (LSRTM) is used to invert synthetic particle-velocity data and crosswell pressure field data. The migration images consist of both the P- and Svelocity perturbation images. Numerical tests on synthetic and field data illustrate the advantages of elastic LSRTM over elastic reverse time migration (RTM). In addition, elastic LSRTM images are better focused and have better reflector continuity than do the acoustic LSRTM images.

Applying the methodology of Design of Experiments to stability studies: a Partial Least Squares approach for evaluation of drug stability.

Science.gov (United States)

Jordan, Nika; Zakrajšek, Jure; Bohanec, Simona; Roškar, Robert; Grabnar, Iztok

2018-05-01

The aim of the present research is to show that the methodology of Design of Experiments can be applied to stability data evaluation, as they can be seen as multi-factor and multi-level experimental designs. Linear regression analysis is usually an approach for analyzing stability data, but multivariate statistical methods could also be used to assess drug stability during the development phase. Data from a stability study for a pharmaceutical product with hydrochlorothiazide (HCTZ) as an unstable drug substance was used as a case example in this paper. The design space of the stability study was modeled using Umetrics MODDE 10.1 software. We showed that a Partial Least Squares model could be used for a multi-dimensional presentation of all data generated in a stability study and for determination of the relationship among factors that influence drug stability. It might also be used for stability predictions and potentially for the optimization of the extent of stability testing needed to determine shelf life and storage conditions, which would be time and cost-effective for the pharmaceutical industry.

Small-kernel constrained-least-squares restoration of sampled image data

Science.gov (United States)

Hazra, Rajeeb; Park, Stephen K.

1992-10-01

Constrained least-squares image restoration, first proposed by Hunt twenty years ago, is a linear image restoration technique in which the restoration filter is derived by maximizing the smoothness of the restored image while satisfying a fidelity constraint related to how well the restored image matches the actual data. The traditional derivation and implementation of the constrained least-squares restoration filter is based on an incomplete discrete/discrete system model which does not account for the effects of spatial sampling and image reconstruction. For many imaging systems, these effects are significant and should not be ignored. In a recent paper Park demonstrated that a derivation of the Wiener filter based on the incomplete discrete/discrete model can be extended to a more comprehensive end-to-end, continuous/discrete/continuous model. In a similar way, in this paper, we show that a derivation of the constrained least-squares filter based on the discrete/discrete model can also be extended to this more comprehensive continuous/discrete/continuous model and, by so doing, an improved restoration filter is derived. Building on previous work by Reichenbach and Park for the Wiener filter, we also show that this improved constrained least-squares restoration filter can be efficiently implemented as a small-kernel convolution in the spatial domain.

Solving linear inequalities in a least squares sense

Energy Technology Data Exchange (ETDEWEB)

Bramley, R.; Winnicka, B. [Indiana Univ., Bloomington, IN (United States)

1994-12-31

Let A {element_of} {Re}{sup mxn} be an arbitrary real matrix, and let b {element_of} {Re}{sup m} a given vector. A familiar problem in computational linear algebra is to solve the system Ax = b in a least squares sense; that is, to find an x* minimizing {parallel}Ax {minus} b{parallel}, where {parallel} {center_dot} {parallel} refers to the vector two-norm. Such an x* solves the normal equations A{sup T}(Ax {minus} b) = 0, and the optimal residual r* = b {minus} Ax* is unique (although x* need not be). The least squares problem is usually interpreted as corresponding to multiple observations, represented by the rows of A and b, on a vector of data x. The observations may be inconsistent, and in this case a solution is sought that minimizes the norm of the residuals. A less familiar problem to numerical linear algebraists is the solution of systems of linear inequalities Ax {le} b in a least squares sense, but the motivation is similar: if a set of observations places upper or lower bounds on linear combinations of variables, the authors want to find x* minimizing {parallel} (Ax {minus} b){sub +} {parallel}, where the i{sup th} component of the vector v{sub +} is the maximum of zero and the i{sup th} component of v.

Parameter estimation of Monod model by the Least-Squares method for microalgae Botryococcus Braunii sp

Science.gov (United States)

See, J. J.; Jamaian, S. S.; Salleh, R. M.; Nor, M. E.; Aman, F.

2018-04-01

This research aims to estimate the parameters of Monod model of microalgae Botryococcus Braunii sp growth by the Least-Squares method. Monod equation is a non-linear equation which can be transformed into a linear equation form and it is solved by implementing the Least-Squares linear regression method. Meanwhile, Gauss-Newton method is an alternative method to solve the non-linear Least-Squares problem with the aim to obtain the parameters value of Monod model by minimizing the sum of square error ( SSE). As the result, the parameters of the Monod model for microalgae Botryococcus Braunii sp can be estimated by the Least-Squares method. However, the estimated parameters value obtained by the non-linear Least-Squares method are more accurate compared to the linear Least-Squares method since the SSE of the non-linear Least-Squares method is less than the linear Least-Squares method.

Global Search Strategies for Solving Multilinear Least-Squares Problems

Directory of Open Access Journals (Sweden)

Mats Andersson

2012-04-01

Full Text Available The multilinear least-squares (MLLS problem is an extension of the linear least-squares problem. The difference is that a multilinear operator is used in place of a matrix-vector product. The MLLS is typically a large-scale problem characterized by a large number of local minimizers. It originates, for instance, from the design of filter networks. We present a global search strategy that allows for moving from one local minimizer to a better one. The efficiency of this strategy is illustrated by the results of numerical experiments performed for some problems related to the design of filter networks.

Bounded Perturbation Regularization for Linear Least Squares Estimation

KAUST Repository

Ballal, Tarig; Suliman, Mohamed Abdalla Elhag; Al-Naffouri, Tareq Y.

2017-01-01

This paper addresses the problem of selecting the regularization parameter for linear least-squares estimation. We propose a new technique called bounded perturbation regularization (BPR). In the proposed BPR method, a perturbation with a bounded

Making the most out of least-squares migration

KAUST Repository

Huang, Yunsong; Dutta, Gaurav; Dai, Wei; Wang, Xin; Schuster, Gerard T.; Yu, Jianhua

2014-01-01

) weak amplitudes resulting from geometric spreading, attenuation, and defocusing. These problems can be remedied in part by least-squares migration (LSM), also known as linearized seismic inversion or migration deconvolution (MD), which aims to linearly

Bubble-Enriched Least-Squares Finite Element Method for Transient Advective Transport

Directory of Open Access Journals (Sweden)

Rajeev Kumar

2008-01-01

Full Text Available The least-squares finite element method (LSFEM has received increasing attention in recent years due to advantages over the Galerkin finite element method (GFEM. The method leads to a minimization problem in the L2-norm and thus results in a symmetric and positive definite matrix, even for first-order differential equations. In addition, the method contains an implicit streamline upwinding mechanism that prevents the appearance of oscillations that are characteristic of the Galerkin method. Thus, the least-squares approach does not require explicit stabilization and the associated stabilization parameters required by the Galerkin method. A new approach, the bubble enriched least-squares finite element method (BELSFEM, is presented and compared with the classical LSFEM. The BELSFEM requires a space-time element formulation and employs bubble functions in space and time to increase the accuracy of the finite element solution without degrading computational performance. We apply the BELSFEM and classical least-squares finite element methods to benchmark problems for 1D and 2D linear transport. The accuracy and performance are compared.

Multi-source least-squares migration of marine data

KAUST Repository

Wang, Xin; Schuster, Gerard T.

2012-01-01

Kirchhoff based multi-source least-squares migration (MSLSM) is applied to marine streamer data. To suppress the crosstalk noise from the excitation of multiple sources, a dynamic encoding function (including both time-shifts and polarity changes

Weighted least-squares criteria for electrical impedance tomography

International Nuclear Information System (INIS)

Kallman, J.S.; Berryman, J.G.

1992-01-01

Methods are developed for design of electrical impedance tomographic reconstruction algorithms with specified properties. Assuming a starting model with constant conductivity or some other specified background distribution, an algorithm with the following properties is found: (1) the optimum constant for the starting model is determined automatically; (2) the weighted least-squares error between the predicted and measured power dissipation data is as small as possible; (3) the variance of the reconstructed conductivity from the starting model is minimized; (4) potential distributions with the largest volume integral of gradient squared have the least influence on the reconstructed conductivity, and therefore distributions most likely to be corrupted by contact impedance effects are deemphasized; (5) cells that dissipate the most power during the current injection tests tend to deviate least from the background value. The resulting algorithm maps the reconstruction problem into a vector space where the contribution to the inversion from the background conductivity remains invariant, while the optimum contributions in orthogonal directions are found. For a starting model with nonconstant conductivity, the reconstruction algorithm has analogous properties

Prediction of aged red wine aroma properties from aroma chemical composition. Partial least squares regression models.

Science.gov (United States)

Aznar, Margarita; López, Ricardo; Cacho, Juan; Ferreira, Vicente

2003-04-23

Partial least squares regression (PLSR) models able to predict some of the wine aroma nuances from its chemical composition have been developed. The aromatic sensory characteristics of 57 Spanish aged red wines were determined by 51 experts from the wine industry. The individual descriptions given by the experts were recorded, and the frequency with which a sensory term was used to define a given wine was taken as a measurement of its intensity. The aromatic chemical composition of the wines was determined by already published gas chromatography (GC)-flame ionization detector and GC-mass spectrometry methods. In the whole, 69 odorants were analyzed. Both matrixes, the sensory and chemical data, were simplified by grouping and rearranging correlated sensory terms or chemical compounds and by the exclusion of secondary aroma terms or of weak aroma chemicals. Finally, models were developed for 18 sensory terms and 27 chemicals or groups of chemicals. Satisfactory models, explaining more than 45% of the original variance, could be found for nine of the most important sensory terms (wood-vanillin-cinnamon, animal-leather-phenolic, toasted-coffee, old wood-reduction, vegetal-pepper, raisin-flowery, sweet-candy-cacao, fruity, and berry fruit). For this set of terms, the correlation coefficients between the measured and predicted Y (determined by cross-validation) ranged from 0.62 to 0.81. Models confirmed the existence of complex multivariate relationships between chemicals and odors. In general, pleasant descriptors were positively correlated to chemicals with pleasant aroma, such as vanillin, beta damascenone, or (E)-beta-methyl-gamma-octalactone, and negatively correlated to compounds showing less favorable odor properties, such as 4-ethyl and vinyl phenols, 3-(methylthio)-1-propanol, or phenylacetaldehyde.

3D plane-wave least-squares Kirchhoff migration

KAUST Repository

Wang, Xin; Dai, Wei; Huang, Yunsong; Schuster, Gerard T.

2014-01-01

A three dimensional least-squares Kirchhoff migration (LSM) is developed in the prestack plane-wave domain to increase the quality of migration images and the computational efficiency. Due to the limitation of current 3D marine acquisition

Cancer-related fatigue in breast cancer patients after surgery: a multicomponent model using partial least squares-path modeling.

Science.gov (United States)

Bortolon, Catherine; Krikorian, Alicia; Carayol, Marion; Brouillet, Denis; Romieu, Gilles; Ninot, Gregory

2014-04-01

The aim of this study is to examine factors contributing to cancer-related fatigue (CRF) in breast cancer patients who have undergone surgery. Sixty women (mean age: 50.0) completed self-rated questionnaires assessing components of CRF, muscular and cognitive functions. Also, physiological and subjective data were gathered. Data were analyzed using partial least squares variance-based structural equation modeling in order to examine factors contributing to CRF after breast surgery. The tested model was robust in terms of its measurement quality (reliability and validity). According to the structural model results, emotional distress (β = 0.59; p accounting for 61% of the explained variance. Also, emotional distress (β = 0.41; p accounted for 41% of the explained variance. However, the relationship between low physical function and CRF was weak and nonsignificant (β = 0.01; p > 0.05). Emotional distress, altered vigilance capacity, and pain are associated with CRF in postsurgical breast cancer. In addition, emotional distress and pain are related to diminished physical function, which, in turn, has no significant impact on CRF. The current model should be examined in subsequent phases of the treatment (chemotherapy and/or radiotherapy) when side effects are more pronounced and may lead to increased intensity of CRF and low physical function. Copyright © 2013 John Wiley & Sons, Ltd.

Determination of the secondary structure content of proteins in aqueous solutions from their amide I and amide II infrared bands. Comparison between classical and partial least-squares methods

International Nuclear Information System (INIS)

Dousseau, F.; Pezolet, M.

1990-01-01

A method for estimating protein secondary structure from infrared spectra has been developed. The infrared spectra of H 2 O solutions of 13 proteins of known crystal structure have been recorded and corrected for the spectral contribution of water in the amide I and II region by using the algorithm of Dousseau et al. This calibration set of proteins has been analyzed by using either a classical least-squares (CLS) method or the partial least-squares (PLS) method. The pure-structure spectra calculated by the classical least-squares method are in good agreement with spectra of poly(L-lysine) in the α-helix, β-sheet, and undefined conformations. The results show that the best agreement between the secondary structure determined by X-ray crystal-lography and that predicted by infrared spectroscopy is obtained when both the amide I and II bands are used to generate the calibration set, when the PLS method is used, and when it is assumed that the secondary structure of proteins is composed of only four types of structure: ordered and disordered α-helices, β-sheet, and undefined conformation. Attempts to include turns in the secondary structure estimation have led to a loss of accuracy. The spectra of the calibration proteins were also recorded in 2 H 2 O solution. After correction for the contribution of the combination band of 2 H 2 O in the amide I' band region, the spectra were analyzed with PLS, but the results were not as good as for the spectra obtained in H 2 O, especially for the α-helical conformation

Decision-Directed Recursive Least Squares MIMO Channels Tracking

Directory of Open Access Journals (Sweden)

Karami Ebrahim

2006-01-01

Full Text Available A new approach for joint data estimation and channel tracking for multiple-input multiple-output (MIMO channels is proposed based on the decision-directed recursive least squares (DD-RLS algorithm. RLS algorithm is commonly used for equalization and its application in channel estimation is a novel idea. In this paper, after defining the weighted least squares cost function it is minimized and eventually the RLS MIMO channel estimation algorithm is derived. The proposed algorithm combined with the decision-directed algorithm (DDA is then extended for the blind mode operation. From the computational complexity point of view being versus the number of transmitter and receiver antennas, the proposed algorithm is very efficient. Through various simulations, the mean square error (MSE of the tracking of the proposed algorithm for different joint detection algorithms is compared with Kalman filtering approach which is one of the most well-known channel tracking algorithms. It is shown that the performance of the proposed algorithm is very close to Kalman estimator and that in the blind mode operation it presents a better performance with much lower complexity irrespective of the need to know the channel model.

Bounded Perturbation Regularization for Linear Least Squares Estimation

KAUST Repository

Ballal, Tarig

2017-10-18

This paper addresses the problem of selecting the regularization parameter for linear least-squares estimation. We propose a new technique called bounded perturbation regularization (BPR). In the proposed BPR method, a perturbation with a bounded norm is allowed into the linear transformation matrix to improve the singular-value structure. Following this, the problem is formulated as a min-max optimization problem. Next, the min-max problem is converted to an equivalent minimization problem to estimate the unknown vector quantity. The solution of the minimization problem is shown to converge to that of the ℓ2 -regularized least squares problem, with the unknown regularizer related to the norm bound of the introduced perturbation through a nonlinear constraint. A procedure is proposed that combines the constraint equation with the mean squared error (MSE) criterion to develop an approximately optimal regularization parameter selection algorithm. Both direct and indirect applications of the proposed method are considered. Comparisons with different Tikhonov regularization parameter selection methods, as well as with other relevant methods, are carried out. Numerical results demonstrate that the proposed method provides significant improvement over state-of-the-art methods.

Least squares analysis of fission neutron standard fields

International Nuclear Information System (INIS)

Griffin, P.J.; Williams, J.G.

1997-01-01

A least squares analysis of fission neutron standard fields has been performed using the latest dosimetry cross sections. Discrepant nuclear data are identified and adjusted spectra for 252 Cf spontaneous fission and 235 U thermal fission fields are presented

Simultaneous determination of caffeine, caramel and riboflavin in cola-type and energy drinks by synchronous fluorescence technique coupled with partial least squares.

Science.gov (United States)

Ziak, L'udovít; Májek, Pavel; Hroboňová, Katarína; Cacho, František; Sádecká, Jana

2014-09-15

The aim of this work was to develop a multivariate method for the rapid determination of caffeine and Class IV caramel in cola-type soft drinks and of caffeine, Class III caramel and riboflavin in energy drinks using synchronous fluorescence spectra. The synchronous fluorescence spectra were recorded at constant wavelength difference 90 nm from 200 to 500 nm. Reference values of analyte concentrations by high performance liquid chromatography (HPLC) with fluorescence detection combined with the standard addition method were used to create the partial least squares (PLS) models. High coefficients of determination (>0.99) were obtained in 0.2-4.2, 0.25-5.25, 0.4-10.0 and 0.007-0.054 mg L(-1) range for caffeine, Class III caramel, Class IV caramel and riboflavin, respectively. The PLS models were used to determine the concentration of analytes in different drink samples. The method provided comparable results with those found using the HPLC method. Copyright © 2014 Elsevier Ltd. All rights reserved.

A prediction model of compressor with variable-geometry diffuser based on elliptic equation and partial least squares.

Science.gov (United States)

Li, Xu; Yang, Chuanlei; Wang, Yinyan; Wang, Hechun

2018-01-01

To achieve a much more extensive intake air flow range of the diesel engine, a variable-geometry compressor (VGC) is introduced into a turbocharged diesel engine. However, due to the variable diffuser vane angle (DVA), the prediction for the performance of the VGC becomes more difficult than for a normal compressor. In the present study, a prediction model comprising an elliptical equation and a PLS (partial least-squares) model was proposed to predict the performance of the VGC. The speed lines of the pressure ratio map and the efficiency map were fitted with the elliptical equation, and the coefficients of the elliptical equation were introduced into the PLS model to build the polynomial relationship between the coefficients and the relative speed, the DVA. Further, the maximal order of the polynomial was investigated in detail to reduce the number of sub-coefficients and achieve acceptable fit accuracy simultaneously. The prediction model was validated with sample data and in order to present the superiority of compressor performance prediction, the prediction results of this model were compared with those of the look-up table and back-propagation neural networks (BPNNs). The validation and comparison results show that the prediction accuracy of the new developed model is acceptable, and this model is much more suitable than the look-up table and the BPNN methods under the same condition in VGC performance prediction. Moreover, the new developed prediction model provides a novel and effective prediction solution for the VGC and can be used to improve the accuracy of the thermodynamic model for turbocharged diesel engines in the future.

[External therapy of plasma cell mastitis by jiuyi powder using partial least-squares discriminant analysis: a safety analysis].

Science.gov (United States)

Ye, Mei-na; Yang, Ming; Cheng, Yi-qin; Wang, Bing; Zhu, Ying; Xia, Ya-ru; Meng, Tian; Chen, Hao; Chen, Li-ying; Cheng, Hong-feng

2015-04-01

To evaluate the safety and the clinical value of external use of jiuyi Powder (JP) in treating plasma cell mastitis using partial least-squares discriminant analysis (PLSDA). Totally 50 patients with plasma cell mastitis treated by external use of JP were observed and biochemical examinations of blood and urine detected before application, at day 4 after application, at day 1 and 14 after discontinuation. Blood mercury and urinary mercury were detected before application, at day 1, 4, and 7 after application, at day 1 and 14 after discontinuation. Urinary mercury was also detected at 28 after discontinuation and 3 months after discontinuation. The information of wound, days of external application and the total dosage of external application were recorded before application, at day 1, 4, and 7 after application, as well as at day 1 after discontinuation. Then a discriminant model covering potential safety factors was set up by PLSDA after screening safety indices with important effects. The applicability of the model was assessed using area under ROC curve. Potential safety factors were assessed using variable importance in the projection (VIP). Urinary β2-microglobulin (β2-MG), urinary N-acetyl-β-D-glucosaminidase (NAG), 24 h urinary protein, and urinary α1-microglobulin (α1-MG) were greatly affected by external use of JP in treating plasma cell mastitis. The accuracy rate of PLSDA discriminate model was 74. 00%. The sensitivity, specificity, and the area under ROC curve was 0. 7826, 0. 7037, and 0. 8084, respectively. Three factors with greater effect on the potential safety were screened as follows: pre-application volume of the sore cavity, days of external application, and the total dosage of external application. PLSDA method could be used in analyzing bioinformation of clinical Chinese medicine. Urinary β2-MG and urinary NAG were two main safety monitoring indices. Days of external application and the total dosage of external application were main

Positive solution of non-square fully Fuzzy linear system of equation in general form using least square method

Directory of Open Access Journals (Sweden)

Reza Ezzati

2014-08-01

Full Text Available In this paper, we propose the least square method for computing the positive solution of a non-square fully fuzzy linear system. To this end, we use Kaffman' arithmetic operations on fuzzy numbers \\cite{17}. Here, considered existence of exact solution using pseudoinverse, if they are not satisfy in positive solution condition, we will compute fuzzy vector core and then we will obtain right and left spreads of positive fuzzy vector by introducing constrained least squares problem. Using our proposed method, non-square fully fuzzy linear system of equations always has a solution. Finally, we illustrate the efficiency of proposed method by solving some numerical examples.

Application of principal component regression and partial least squares regression in ultraviolet spectrum water quality detection

Science.gov (United States)

Li, Jiangtong; Luo, Yongdao; Dai, Honglin

2018-01-01

Water is the source of life and the essential foundation of all life. With the development of industrialization, the phenomenon of water pollution is becoming more and more frequent, which directly affects the survival and development of human. Water quality detection is one of the necessary measures to protect water resources. Ultraviolet (UV) spectral analysis is an important research method in the field of water quality detection, which partial least squares regression (PLSR) analysis method is becoming predominant technology, however, in some special cases, PLSR's analysis produce considerable errors. In order to solve this problem, the traditional principal component regression (PCR) analysis method was improved by using the principle of PLSR in this paper. The experimental results show that for some special experimental data set, improved PCR analysis method performance is better than PLSR. The PCR and PLSR is the focus of this paper. Firstly, the principal component analysis (PCA) is performed by MATLAB to reduce the dimensionality of the spectral data; on the basis of a large number of experiments, the optimized principal component is extracted by using the principle of PLSR, which carries most of the original data information. Secondly, the linear regression analysis of the principal component is carried out with statistic package for social science (SPSS), which the coefficients and relations of principal components can be obtained. Finally, calculating a same water spectral data set by PLSR and improved PCR, analyzing and comparing two results, improved PCR and PLSR is similar for most data, but improved PCR is better than PLSR for data near the detection limit. Both PLSR and improved PCR can be used in Ultraviolet spectral analysis of water, but for data near the detection limit, improved PCR's result better than PLSR.

Prediction of clinical depression scores and detection of changes in whole-brain using resting-state functional MRI data with partial least squares regression.

Directory of Open Access Journals (Sweden)

Kosuke Yoshida

Full Text Available In diagnostic applications of statistical machine learning methods to brain imaging data, common problems include data high-dimensionality and co-linearity, which often cause over-fitting and instability. To overcome these problems, we applied partial least squares (PLS regression to resting-state functional magnetic resonance imaging (rs-fMRI data, creating a low-dimensional representation that relates symptoms to brain activity and that predicts clinical measures. Our experimental results, based upon data from clinically depressed patients and healthy controls, demonstrated that PLS and its kernel variants provided significantly better prediction of clinical measures than ordinary linear regression. Subsequent classification using predicted clinical scores distinguished depressed patients from healthy controls with 80% accuracy. Moreover, loading vectors for latent variables enabled us to identify brain regions relevant to depression, including the default mode network, the right superior frontal gyrus, and the superior motor area.

Phase-unwrapping algorithm by a rounding-least-squares approach

Science.gov (United States)

Juarez-Salazar, Rigoberto; Robledo-Sanchez, Carlos; Guerrero-Sanchez, Fermin

2014-02-01

A simple and efficient phase-unwrapping algorithm based on a rounding procedure and a global least-squares minimization is proposed. Instead of processing the gradient of the wrapped phase, this algorithm operates over the gradient of the phase jumps by a robust and noniterative scheme. Thus, the residue-spreading and over-smoothing effects are reduced. The algorithm's performance is compared with four well-known phase-unwrapping methods: minimum cost network flow (MCNF), fast Fourier transform (FFT), quality-guided, and branch-cut. A computer simulation and experimental results show that the proposed algorithm reaches a high-accuracy level than the MCNF method by a low-computing time similar to the FFT phase-unwrapping method. Moreover, since the proposed algorithm is simple, fast, and user-free, it could be used in metrological interferometric and fringe-projection automatic real-time applications.

Moving least squares simulation of free surface flows

DEFF Research Database (Denmark)

Felter, C. L.; Walther, Jens Honore; Henriksen, Christian

2014-01-01

In this paper a Moving Least Squares method (MLS) for the simulation of 2D free surface flows is presented. The emphasis is on the governing equations, the boundary conditions, and the numerical implementation. The compressible viscous isothermal Navier–Stokes equations are taken as the starting ...

Multivariate calibration with least-squares support vector machines.

NARCIS (Netherlands)

Thissen, U.M.J.; Ustun, B.; Melssen, W.J.; Buydens, L.M.C.

2004-01-01

This paper proposes the use of least-squares support vector machines (LS-SVMs) as a relatively new nonlinear multivariate calibration method, capable of dealing with ill-posed problems. LS-SVMs are an extension of "traditional" SVMs that have been introduced recently in the field of chemistry and

Linearized least-square imaging of internally scattered data

KAUST Repository

Aldawood, Ali; Hoteit, Ibrahim; Turkiyyah, George M.; Zuberi, M. A H; Alkhalifah, Tariq Ali

2014-01-01

Internal multiples deteriorate the quality of the migrated image obtained conventionally by imaging single scattering energy. However, imaging internal multiples properly has the potential to enhance the migrated image because they illuminate zones in the subsurface that are poorly illuminated by single-scattering energy such as nearly vertical faults. Standard migration of these multiples provide subsurface reflectivity distributions with low spatial resolution and migration artifacts due to the limited recording aperture, coarse sources and receivers sampling, and the band-limited nature of the source wavelet. Hence, we apply a linearized least-square inversion scheme to mitigate the effect of the migration artifacts, enhance the spatial resolution, and provide more accurate amplitude information when imaging internal multiples. Application to synthetic data demonstrated the effectiveness of the proposed inversion in imaging a reflector that is poorly illuminated by single-scattering energy. The least-square inversion of doublescattered data helped delineate that reflector with minimal acquisition fingerprint.

Least-Square Prediction for Backward Adaptive Video Coding

Directory of Open Access Journals (Sweden)

Li Xin

2006-01-01

Full Text Available Almost all existing approaches towards video coding exploit the temporal redundancy by block-matching-based motion estimation and compensation. Regardless of its popularity, block matching still reflects an ad hoc understanding of the relationship between motion and intensity uncertainty models. In this paper, we present a novel backward adaptive approach, named "least-square prediction" (LSP, and demonstrate its potential in video coding. Motivated by the duality between edge contour in images and motion trajectory in video, we propose to derive the best prediction of the current frame from its causal past using least-square method. It is demonstrated that LSP is particularly effective for modeling video material with slow motion and can be extended to handle fast motion by temporal warping and forward adaptation. For typical QCIF test sequences, LSP often achieves smaller MSE than , full-search, quarter-pel block matching algorithm (BMA without the need of transmitting any overhead.

Efficient Model Selection for Sparse Least-Square SVMs

Directory of Open Access Journals (Sweden)

Xiao-Lei Xia

2013-01-01

Full Text Available The Forward Least-Squares Approximation (FLSA SVM is a newly-emerged Least-Square SVM (LS-SVM whose solution is extremely sparse. The algorithm uses the number of support vectors as the regularization parameter and ensures the linear independency of the support vectors which span the solution. This paper proposed a variant of the FLSA-SVM, namely, Reduced FLSA-SVM which is of reduced computational complexity and memory requirements. The strategy of “contexts inheritance” is introduced to improve the efficiency of tuning the regularization parameter for both the FLSA-SVM and the RFLSA-SVM algorithms. Experimental results on benchmark datasets showed that, compared to the SVM and a number of its variants, the RFLSA-SVM solutions contain a reduced number of support vectors, while maintaining competitive generalization abilities. With respect to the time cost for tuning of the regularize parameter, the RFLSA-SVM algorithm was empirically demonstrated fastest compared to FLSA-SVM, the LS-SVM, and the SVM algorithms.

Structural Equation Modelling with Three Schemes Estimation of Score Factors on Partial Least Square (Case Study: The Quality Of Education Level SMA/MA in Sumenep Regency)

Science.gov (United States)

Anekawati, Anik; Widjanarko Otok, Bambang; Purhadi; Sutikno

2017-06-01

Research in education often involves a latent variable. Statistical analysis technique that has the ability to analyze the pattern of relationship among latent variables as well as between latent variables and their indicators is Structural Equation Modeling (SEM). SEM partial least square (PLS) was developed as an alternative if these conditions are met: the theory that underlying the design of the model is weak, does not assume a certain scale measurement, the sample size should not be large and the data does not have the multivariate normal distribution. The purpose of this paper is to compare the results of modeling of the educational quality in high school level (SMA/MA) in Sumenep Regency with structural equation modeling approach partial least square with three schemes estimation of score factors. This paper is a result of explanatory research using secondary data from Sumenep Education Department and Badan Pusat Statistik (BPS) Sumenep which was data of Sumenep in the Figures and the District of Sumenep in the Figures for the year 2015. The unit of observation in this study were districts in Sumenep that consists of 18 districts on the mainland and 9 districts in the islands. There were two endogenous variables and one exogenous variable. Endogenous variables are the quality of education level of SMA/MA (Y1) and school infrastructure (Y2), whereas exogenous variable is socio-economic condition (X1). In this study, There is one improved model which represented by model from path scheme because this model is a consistent, all of its indicators are valid and its the value of R-square increased which is: Y1=0.651Y2. In this model, the quality of education influenced only by the school infrastructure (0.651). The socio-economic condition did not affect neither the school infrastructure nor the quality of education. If the school infrastructure increased 1 point, then the quality of education increased 0.651 point. The quality of education had an R2 of 0

Electrospray ionization mass spectrometry and partial least squares discriminant analysis applied to the quality control of olive oil.

Science.gov (United States)

Alves, Junia O; Botelho, Bruno G; Sena, Marcelo M; Augusti, Rodinei

2013-10-01

Direct infusion electrospray ionization mass spectrometry in the positive ion mode [ESI(+)-MS] is used to obtain fingerprints of aqueous-methanolic extracts of two types of olive oils, extra virgin (EV) and ordinary (OR), as well as of samples of EV olive oil adulterated by the addition of OR olive oil and other edible oils: corn (CO), sunflower (SF), soybean (SO) and canola (CA). The MS data is treated by the partial least squares discriminant analysis (PLS-DA) protocol aiming at discriminating the above-mentioned classes formed by the genuine olive oils, EV (1) and OR (2), as well as the EV adulterated samples, i.e. EV/SO (3), EV/CO (4), EV/SF (5), EV/CA (6) and EV/OR (7). The PLS-DA model employed is built with 190 and 70 samples for the training and test sets, respectively. For all classes (1-7), EV and OR olive oils as well as the adulterated samples (in a proportion varying from 0.5 to 20.0% w/w) are properly classified. The developed methodology required no ions identification and demonstrated to be fast, as each measurement lasted about 3 min including the extraction step and MS analysis, and reliable, because high sensitivities (rate of true positives) and specificities (rate of true negatives) were achieved. Finally, it can be envisaged that this approach has potential to be applied in quality control of EV olive oils. Copyright © 2013 John Wiley & Sons, Ltd.

Simplified Least Squares Shadowing sensitivity analysis for chaotic ODEs and PDEs

Energy Technology Data Exchange (ETDEWEB)

Chater, Mario, E-mail: chaterm@mit.edu; Ni, Angxiu, E-mail: niangxiu@mit.edu; Wang, Qiqi, E-mail: qiqi@mit.edu

2017-01-15

This paper develops a variant of the Least Squares Shadowing (LSS) method, which has successfully computed the derivative for several chaotic ODEs and PDEs. The development in this paper aims to simplify Least Squares Shadowing method by improving how time dilation is treated. Instead of adding an explicit time dilation term as in the original method, the new variant uses windowing, which can be more efficient and simpler to implement, especially for PDEs.

Least-mean-square spatial filter for IR sensors.

Science.gov (United States)

Takken, E H; Friedman, D; Milton, A F; Nitzberg, R

1979-12-15

A new least-mean-square filter is defined for signal-detection problems. The technique is proposed for scanning IR surveillance systems operating in poorly characterized but primarily low-frequency clutter interference. Near-optimal detection of point-source targets is predicted both for continuous-time and sampled-data systems.

The crux of the method: assumptions in ordinary least squares and logistic regression.

Science.gov (United States)

Long, Rebecca G

2008-10-01

Logistic regression has increasingly become the tool of choice when analyzing data with a binary dependent variable. While resources relating to the technique are widely available, clear discussions of why logistic regression should be used in place of ordinary least squares regression are difficult to find. The current paper compares and contrasts the assumptions of ordinary least squares with those of logistic regression and explains why logistic regression's looser assumptions make it adept at handling violations of the more important assumptions in ordinary least squares.

Plane-wave least-squares reverse-time migration

KAUST Repository

Dai, Wei

2013-06-03

A plane-wave least-squares reverse-time migration (LSRTM) is formulated with a new parameterization, where the migration image of each shot gather is updated separately and an ensemble of prestack images is produced along with common image gathers. The merits of plane-wave prestack LSRTM are the following: (1) plane-wave prestack LSRTM can sometimes offer stable convergence even when the migration velocity has bulk errors of up to 5%; (2) to significantly reduce computation cost, linear phase-shift encoding is applied to hundreds of shot gathers to produce dozens of plane waves. Unlike phase-shift encoding with random time shifts applied to each shot gather, plane-wave encoding can be effectively applied to data with a marine streamer geometry. (3) Plane-wave prestack LSRTM can provide higher-quality images than standard reverse-time migration. Numerical tests on the Marmousi2 model and a marine field data set are performed to illustrate the benefits of plane-wave LSRTM. Empirical results show that LSRTM in the plane-wave domain, compared to standard reversetime migration, produces images efficiently with fewer artifacts and better spatial resolution. Moreover, the prestack image ensemble accommodates more unknowns to makes it more robust than conventional least-squares migration in the presence of migration velocity errors. © 2013 Society of Exploration Geophysicists.

Non linear-least-squares fitting for pixe spectra

International Nuclear Information System (INIS)

Benamar, M.A.; Tchantchane, A.; Benouali, N.; Azbouche, A.; Tobbeche, S.

1992-10-01

An interactive computer program for the analysis of Pixe spectra is described. The fitting procedure consists of computing a function which approximates the experimental data. A nonlinear least-squares fitting is used to determine the parameters of the fit. The program takes into account the low energy tail and the escape peaks

Least Squares Problems with Absolute Quadratic Constraints

Directory of Open Access Journals (Sweden)

R. Schöne

2012-01-01

Full Text Available This paper analyzes linear least squares problems with absolute quadratic constraints. We develop a generalized theory following Bookstein's conic-fitting and Fitzgibbon's direct ellipse-specific fitting. Under simple preconditions, it can be shown that a minimum always exists and can be determined by a generalized eigenvalue problem. This problem is numerically reduced to an eigenvalue problem by multiplications of Givens' rotations. Finally, four applications of this approach are presented.

Least-squares collocation meshless approach for radiative heat transfer in absorbing and scattering media

Science.gov (United States)

Liu, L. H.; Tan, J. Y.

2007-02-01

A least-squares collocation meshless method is employed for solving the radiative heat transfer in absorbing, emitting and scattering media. The least-squares collocation meshless method for radiative transfer is based on the discrete ordinates equation. A moving least-squares approximation is applied to construct the trial functions. Except for the collocation points which are used to construct the trial functions, a number of auxiliary points are also adopted to form the total residuals of the problem. The least-squares technique is used to obtain the solution of the problem by minimizing the summation of residuals of all collocation and auxiliary points. Three numerical examples are studied to illustrate the performance of this new solution method. The numerical results are compared with the other benchmark approximate solutions. By comparison, the results show that the least-squares collocation meshless method is efficient, accurate and stable, and can be used for solving the radiative heat transfer in absorbing, emitting and scattering media.

Least-squares collocation meshless approach for radiative heat transfer in absorbing and scattering media

International Nuclear Information System (INIS)

Liu, L.H.; Tan, J.Y.

2007-01-01

A least-squares collocation meshless method is employed for solving the radiative heat transfer in absorbing, emitting and scattering media. The least-squares collocation meshless method for radiative transfer is based on the discrete ordinates equation. A moving least-squares approximation is applied to construct the trial functions. Except for the collocation points which are used to construct the trial functions, a number of auxiliary points are also adopted to form the total residuals of the problem. The least-squares technique is used to obtain the solution of the problem by minimizing the summation of residuals of all collocation and auxiliary points. Three numerical examples are studied to illustrate the performance of this new solution method. The numerical results are compared with the other benchmark approximate solutions. By comparison, the results show that the least-squares collocation meshless method is efficient, accurate and stable, and can be used for solving the radiative heat transfer in absorbing, emitting and scattering media

Making the most out of the least (squares migration)

KAUST Repository

Dutta, Gaurav; Huang, Yunsong; Dai, Wei; Wang, Xin; Schuster, Gerard T.

2014-01-01

) ringiness caused by a ringy source wavelet. To partly remedy these problems, least-squares migration (LSM), also known as linearized seismic inversion or migration deconvolution (MD), proposes to linearly invert seismic data for the reflectivity distribution

Newton-Gauss Algorithm of Robust Weighted Total Least Squares Model

Directory of Open Access Journals (Sweden)

WANG Bin

2015-06-01

Full Text Available Based on the Newton-Gauss iterative algorithm of weighted total least squares (WTLS, a robust WTLS (RWTLS model is presented. The model utilizes the standardized residuals to construct the weight factor function and the square root of the variance component estimator with robustness is obtained by introducing the median method. Therefore, the robustness in both the observation and structure spaces can be simultaneously achieved. To obtain standardized residuals, the linearly approximate cofactor propagation law is employed to derive the expression of the cofactor matrix of WTLS residuals. The iterative calculation steps for RWTLS are also described. The experiment indicates that the model proposed in this paper exhibits satisfactory robustness for gross errors handling problem of WTLS, the obtained parameters have no significant difference with the results of WTLS without gross errors. Therefore, it is superior to the robust weighted total least squares model directly constructed with residuals.

Combining Partial Least Squares and the Gradient-Boosting Method for Soil Property Retrieval Using Visible Near-Infrared Shortwave Infrared Spectra

Directory of Open Access Journals (Sweden)

Lanfa Liu

2017-12-01

Full Text Available Soil spectroscopy has experienced a tremendous increase in soil property characterisation, and can be used not only in the laboratory but also from the space (imaging spectroscopy. Partial least squares (PLS regression is one of the most common approaches for the calibration of soil properties using soil spectra. Besides functioning as a calibration method, PLS can also be used as a dimension reduction tool, which has scarcely been studied in soil spectroscopy. PLS components retained from high-dimensional spectral data can further be explored with the gradient-boosted decision tree (GBDT method. Three soil sample categories were extracted from the Land Use/Land Cover Area Frame Survey (LUCAS soil library according to the type of land cover (woodland, grassland, and cropland. First, PLS regression and GBDT were separately applied to build the spectroscopic models for soil organic carbon (OC, total nitrogen content (N, and clay for each soil category. Then, PLS-derived components were used as input variables for the GBDT model. The results demonstrate that the combined PLS-GBDT approach has better performance than PLS or GBDT alone. The relative important variables for soil property estimation revealed by the proposed method demonstrated that the PLS method is a useful dimension reduction tool for soil spectra to retain target-related information.

Partial least squares analysis and mixture design for the study of the influence of composition variables on lipidic nanoparticle characteristics.

Science.gov (United States)

Malzert-Fréon, A; Hennequin, D; Rault, S

2010-11-01

Lipidic nanoparticles (NP), formulated from a phase inversion temperature process, have been studied with chemometric techniques to emphasize the influence of the four major components (Solutol®, Labrasol®, Labrafac®, water) on their average diameter and their distribution in size. Typically, these NP present a monodisperse size lower than 200 nm, as determined by dynamic light scattering measurements. From the application of the partial least squares (PLS) regression technique to the experimental data collected during definition of the feasibility zone, it was established that NP present a core-shell structure where Labrasol® is well encapsulated and contributes to the structuring of the NP. Even if this solubility enhancer is regarded as a pure surfactant in the literature, it appears that the oil moieties of this macrogolglyceride mixture significantly influence its properties. Furthermore, results have shown that PLS technique can be also used for predictions of sizes for given relative proportions of components and it was established that from a mixture design, the quantitative mixture composition to use in order to reach a targeted size and a targeted polydispersity index (PDI) can be easily predicted. Hence, statistical models can be a useful tool to control and optimize the characteristics in size of NP. © 2010 Wiley-Liss, Inc. and the American Pharmacists Association

Regularization Techniques for Linear Least-Squares Problems

KAUST Repository

Suliman, Mohamed

2016-04-01

Linear estimation is a fundamental branch of signal processing that deals with estimating the values of parameters from a corrupted measured data. Throughout the years, several optimization criteria have been used to achieve this task. The most astonishing attempt among theses is the linear least-squares. Although this criterion enjoyed a wide popularity in many areas due to its attractive properties, it appeared to suffer from some shortcomings. Alternative optimization criteria, as a result, have been proposed. These new criteria allowed, in one way or another, the incorporation of further prior information to the desired problem. Among theses alternative criteria is the regularized least-squares (RLS). In this thesis, we propose two new algorithms to find the regularization parameter for linear least-squares problems. In the constrained perturbation regularization algorithm (COPRA) for random matrices and COPRA for linear discrete ill-posed problems, an artificial perturbation matrix with a bounded norm is forced into the model matrix. This perturbation is introduced to enhance the singular value structure of the matrix. As a result, the new modified model is expected to provide a better stabilize substantial solution when used to estimate the original signal through minimizing the worst-case residual error function. Unlike many other regularization algorithms that go in search of minimizing the estimated data error, the two new proposed algorithms are developed mainly to select the artifcial perturbation bound and the regularization parameter in a way that approximately minimizes the mean-squared error (MSE) between the original signal and its estimate under various conditions. The first proposed COPRA method is developed mainly to estimate the regularization parameter when the measurement matrix is complex Gaussian, with centered unit variance (standard), and independent and identically distributed (i.i.d.) entries. Furthermore, the second proposed COPRA

A least-squares computational ``tool kit``. Nuclear data and measurements series

Energy Technology Data Exchange (ETDEWEB)

Smith, D.L.

1993-04-01

The information assembled in this report is intended to offer a useful computational ``tool kit`` to individuals who are interested in a variety of practical applications for the least-squares method of parameter estimation. The fundamental principles of Bayesian analysis are outlined first and these are applied to development of both the simple and the generalized least-squares conditions. Formal solutions that satisfy these conditions are given subsequently. Their application to both linear and non-linear problems is described in detail. Numerical procedures required to implement these formal solutions are discussed and two utility computer algorithms are offered for this purpose (codes LSIOD and GLSIOD written in FORTRAN). Some simple, easily understood examples are included to illustrate the use of these algorithms. Several related topics are then addressed, including the generation of covariance matrices, the role of iteration in applications of least-squares procedures, the effects of numerical precision and an approach that can be pursued in developing data analysis packages that are directed toward special applications.

Two-step superresolution approach for surveillance face image through radial basis function-partial least squares regression and locality-induced sparse representation

Science.gov (United States)

Jiang, Junjun; Hu, Ruimin; Han, Zhen; Wang, Zhongyuan; Chen, Jun

2013-10-01

Face superresolution (SR), or face hallucination, refers to the technique of generating a high-resolution (HR) face image from a low-resolution (LR) one with the help of a set of training examples. It aims at transcending the limitations of electronic imaging systems. Applications of face SR include video surveillance, in which the individual of interest is often far from cameras. A two-step method is proposed to infer a high-quality and HR face image from a low-quality and LR observation. First, we establish the nonlinear relationship between LR face images and HR ones, according to radial basis function and partial least squares (RBF-PLS) regression, to transform the LR face into the global face space. Then, a locality-induced sparse representation (LiSR) approach is presented to enhance the local facial details once all the global faces for each LR training face are constructed. A comparison of some state-of-the-art SR methods shows the superiority of the proposed two-step approach, RBF-PLS global face regression followed by LiSR-based local patch reconstruction. Experiments also demonstrate the effectiveness under both simulation conditions and some real conditions.

Making the most out of least-squares migration

KAUST Repository

Huang, Yunsong

2014-09-01

Standard migration images can suffer from (1) migration artifacts caused by an undersampled acquisition geometry, (2) poor resolution resulting from a limited recording aperture, (3) ringing artifacts caused by ripples in the source wavelet, and (4) weak amplitudes resulting from geometric spreading, attenuation, and defocusing. These problems can be remedied in part by least-squares migration (LSM), also known as linearized seismic inversion or migration deconvolution (MD), which aims to linearly invert seismic data for the reflectivity distribution. Given a sufficiently accurate migration velocity model, LSM can mitigate many of the above problems and can produce more resolved migration images, sometimes with more than twice the spatial resolution of standard migration. However, LSM faces two challenges: The computational cost can be an order of magnitude higher than that of standard migration, and the resulting image quality can fail to improve for migration velocity errors of about 5% or more. It is possible to obtain the most from least-squares migration by reducing the cost and velocity sensitivity of LSM.

Evaluation of unconfined-aquifer parameters from pumping test data by nonlinear least squares

Science.gov (United States)

Heidari, Manoutchehr; Wench, Allen

1997-05-01

Nonlinear least squares (NLS) with automatic differentiation was used to estimate aquifer parameters from drawdown data obtained from published pumping tests conducted in homogeneous, water-table aquifers. The method is based on a technique that seeks to minimize the squares of residuals between observed and calculated drawdown subject to bounds that are placed on the parameter of interest. The analytical model developed by Neuman for flow to a partially penetrating well of infinitesimal diameter situated in an infinite, homogeneous and anisotropic aquifer was used to obtain calculated drawdown. NLS was first applied to synthetic drawdown data from a hypothetical but realistic aquifer to demonstrate that the relevant hydraulic parameters (storativity, specific yield, and horizontal and vertical hydraulic conductivity) can be evaluated accurately. Next the method was used to estimate the parameters at three field sites with widely varying hydraulic properties. NLS produced unbiased estimates of the aquifer parameters that are close to the estimates obtained with the same data using a visual curve-matching approach. Small differences in the estimates are a consequence of subjective interpretation introduced in the visual approach.

Exploring Omics data from designed experiments using analysis of variance multiblock Orthogonal Partial Least Squares

International Nuclear Information System (INIS)

Boccard, Julien; Rudaz, Serge

2016-01-01

Many experimental factors may have an impact on chemical or biological systems. A thorough investigation of the potential effects and interactions between the factors is made possible by rationally planning the trials using systematic procedures, i.e. design of experiments. However, assessing factors' influences remains often a challenging task when dealing with hundreds to thousands of correlated variables, whereas only a limited number of samples is available. In that context, most of the existing strategies involve the ANOVA-based partitioning of sources of variation and the separate analysis of ANOVA submatrices using multivariate methods, to account for both the intrinsic characteristics of the data and the study design. However, these approaches lack the ability to summarise the data using a single model and remain somewhat limited for detecting and interpreting subtle perturbations hidden in complex Omics datasets. In the present work, a supervised multiblock algorithm based on the Orthogonal Partial Least Squares (OPLS) framework, is proposed for the joint analysis of ANOVA submatrices. This strategy has several advantages: (i) the evaluation of a unique multiblock model accounting for all sources of variation; (ii) the computation of a robust estimator (goodness of fit) for assessing the ANOVA decomposition reliability; (iii) the investigation of an effect-to-residuals ratio to quickly evaluate the relative importance of each effect and (iv) an easy interpretation of the model with appropriate outputs. Case studies from metabolomics and transcriptomics, highlighting the ability of the method to handle Omics data obtained from fixed-effects full factorial designs, are proposed for illustration purposes. Signal variations are easily related to main effects or interaction terms, while relevant biochemical information can be derived from the models. - Highlights: • A new method is proposed for the analysis of Omics data generated using design of experiments

Exploring Omics data from designed experiments using analysis of variance multiblock Orthogonal Partial Least Squares

Energy Technology Data Exchange (ETDEWEB)

Boccard, Julien, E-mail: julien.boccard@unige.ch; Rudaz, Serge

2016-05-12

Many experimental factors may have an impact on chemical or biological systems. A thorough investigation of the potential effects and interactions between the factors is made possible by rationally planning the trials using systematic procedures, i.e. design of experiments. However, assessing factors' influences remains often a challenging task when dealing with hundreds to thousands of correlated variables, whereas only a limited number of samples is available. In that context, most of the existing strategies involve the ANOVA-based partitioning of sources of variation and the separate analysis of ANOVA submatrices using multivariate methods, to account for both the intrinsic characteristics of the data and the study design. However, these approaches lack the ability to summarise the data using a single model and remain somewhat limited for detecting and interpreting subtle perturbations hidden in complex Omics datasets. In the present work, a supervised multiblock algorithm based on the Orthogonal Partial Least Squares (OPLS) framework, is proposed for the joint analysis of ANOVA submatrices. This strategy has several advantages: (i) the evaluation of a unique multiblock model accounting for all sources of variation; (ii) the computation of a robust estimator (goodness of fit) for assessing the ANOVA decomposition reliability; (iii) the investigation of an effect-to-residuals ratio to quickly evaluate the relative importance of each effect and (iv) an easy interpretation of the model with appropriate outputs. Case studies from metabolomics and transcriptomics, highlighting the ability of the method to handle Omics data obtained from fixed-effects full factorial designs, are proposed for illustration purposes. Signal variations are easily related to main effects or interaction terms, while relevant biochemical information can be derived from the models. - Highlights: • A new method is proposed for the analysis of Omics data generated using design of

Direct-on-Filter α-Quartz Estimation in Respirable Coal Mine Dust Using Transmission Fourier Transform Infrared Spectrometry and Partial Least Squares Regression.

Science.gov (United States)

Miller, Arthur L; Weakley, Andrew Todd; Griffiths, Peter R; Cauda, Emanuele G; Bayman, Sean

2017-05-01

In order to help reduce silicosis in miners, the National Institute for Occupational Health and Safety (NIOSH) is developing field-portable methods for measuring airborne respirable crystalline silica (RCS), specifically the polymorph α-quartz, in mine dusts. In this study we demonstrate the feasibility of end-of-shift measurement of α-quartz using a direct-on-filter (DoF) method to analyze coal mine dust samples deposited onto polyvinyl chloride filters. The DoF method is potentially amenable for on-site analyses, but deviates from the current regulatory determination of RCS for coal mines by eliminating two sample preparation steps: ashing the sampling filter and redepositing the ash prior to quantification by Fourier transform infrared (FT-IR) spectrometry. In this study, the FT-IR spectra of 66 coal dust samples from active mines were used, and the RCS was quantified by using: (1) an ordinary least squares (OLS) calibration approach that utilizes standard silica material as done in the Mine Safety and Health Administration's P7 method; and (2) a partial least squares (PLS) regression approach. Both were capable of accounting for kaolinite, which can confound the IR analysis of silica. The OLS method utilized analytical standards for silica calibration and kaolin correction, resulting in a good linear correlation with P7 results and minimal bias but with the accuracy limited by the presence of kaolinite. The PLS approach also produced predictions well-correlated to the P7 method, as well as better accuracy in RCS prediction, and no bias due to variable kaolinite mass. Besides decreased sensitivity to mineral or substrate confounders, PLS has the advantage that the analyst is not required to correct for the presence of kaolinite or background interferences related to the substrate, making the method potentially viable for automated RCS prediction in the field. This study demonstrated the efficacy of FT-IR transmission spectrometry for silica determination in

An information geometric approach to least squares minimization

Science.gov (United States)

Transtrum, Mark; Machta, Benjamin; Sethna, James

2009-03-01

Parameter estimation by nonlinear least squares minimization is a ubiquitous problem that has an elegant geometric interpretation: all possible parameter values induce a manifold embedded within the space of data. The minimization problem is then to find the point on the manifold closest to the origin. The standard algorithm for minimizing sums of squares, the Levenberg-Marquardt algorithm, also has geometric meaning. When the standard algorithm fails to efficiently find accurate fits to the data, geometric considerations suggest improvements. Problems involving large numbers of parameters, such as often arise in biological contexts, are notoriously difficult. We suggest an algorithm based on geodesic motion that may offer improvements over the standard algorithm for a certain class of problems.

Robust Ultraviolet-Visible (UV-Vis) Partial Least-Squares (PLS) Models for Tannin Quantification in Red Wine.

Science.gov (United States)

Aleixandre-Tudo, José Luis; Nieuwoudt, Helené; Aleixandre, José Luis; Du Toit, Wessel J

2015-02-04

The validation of ultraviolet-visible (UV-vis) spectroscopy combined with partial least-squares (PLS) regression to quantify red wine tannins is reported. The methylcellulose precipitable (MCP) tannin assay and the bovine serum albumin (BSA) tannin assay were used as reference methods. To take the high variability of wine tannins into account when the calibration models were built, a diverse data set was collected from samples of South African red wines that consisted of 18 different cultivars, from regions spanning the wine grape-growing areas of South Africa with their various sites, climates, and soils, ranging in vintage from 2000 to 2012. A total of 240 wine samples were analyzed, and these were divided into a calibration set (n = 120) and a validation set (n = 120) to evaluate the predictive ability of the models. To test the robustness of the PLS calibration models, the predictive ability of the classifying variables cultivar, vintage year, and experimental versus commercial wines was also tested. In general, the statistics obtained when BSA was used as a reference method were slightly better than those obtained with MCP. Despite this, the MCP tannin assay should also be considered as a valid reference method for developing PLS calibrations. The best calibration statistics for the prediction of new samples were coefficient of correlation (R 2 val) = 0.89, root mean standard error of prediction (RMSEP) = 0.16, and residual predictive deviation (RPD) = 3.49 for MCP and R 2 val = 0.93, RMSEP = 0.08, and RPD = 4.07 for BSA, when only the UV region (260-310 nm) was selected, which also led to a faster analysis time. In addition, a difference in the results obtained when the predictive ability of the classifying variables vintage, cultivar, or commercial versus experimental wines was studied suggests that tannin composition is highly affected by many factors. This study also discusses the correlations in tannin values between the methylcellulose and protein

Improved linear least squares estimation using bounded data uncertainty

KAUST Repository

Ballal, Tarig

2015-04-01

This paper addresses the problemof linear least squares (LS) estimation of a vector x from linearly related observations. In spite of being unbiased, the original LS estimator suffers from high mean squared error, especially at low signal-to-noise ratios. The mean squared error (MSE) of the LS estimator can be improved by introducing some form of regularization based on certain constraints. We propose an improved LS (ILS) estimator that approximately minimizes the MSE, without imposing any constraints. To achieve this, we allow for perturbation in the measurement matrix. Then we utilize a bounded data uncertainty (BDU) framework to derive a simple iterative procedure to estimate the regularization parameter. Numerical results demonstrate that the proposed BDU-ILS estimator is superior to the original LS estimator, and it converges to the best linear estimator, the linear-minimum-mean-squared error estimator (LMMSE), when the elements of x are statistically white.

Improved linear least squares estimation using bounded data uncertainty

KAUST Repository

Ballal, Tarig; Al-Naffouri, Tareq Y.

2015-01-01

This paper addresses the problemof linear least squares (LS) estimation of a vector x from linearly related observations. In spite of being unbiased, the original LS estimator suffers from high mean squared error, especially at low signal-to-noise ratios. The mean squared error (MSE) of the LS estimator can be improved by introducing some form of regularization based on certain constraints. We propose an improved LS (ILS) estimator that approximately minimizes the MSE, without imposing any constraints. To achieve this, we allow for perturbation in the measurement matrix. Then we utilize a bounded data uncertainty (BDU) framework to derive a simple iterative procedure to estimate the regularization parameter. Numerical results demonstrate that the proposed BDU-ILS estimator is superior to the original LS estimator, and it converges to the best linear estimator, the linear-minimum-mean-squared error estimator (LMMSE), when the elements of x are statistically white.

Application of pulse pile-up correction spectrum to the library least-squares method

Energy Technology Data Exchange (ETDEWEB)

Lee, Sang Hoon [Kyungpook National Univ., Daegu (Korea, Republic of)

2006-12-15

The Monte Carlo simulation code CEARPPU has been developed and updated to provide pulse pile-up correction spectra for high counting rate cases. For neutron activation analysis, CEARPPU correction spectra were used in library least-squares method to give better isotopic activity results than the convention library least-squares fitting with uncorrected spectra.

Estimasi Model Seemingly Unrelated Regression (SUR dengan Metode Generalized Least Square (GLS

Directory of Open Access Journals (Sweden)

Ade Widyaningsih

2015-04-01

Full Text Available Regression analysis is a statistical tool that is used to determine the relationship between two or more quantitative variables so that one variable can be predicted from the other variables. A method that can used to obtain a good estimation in the regression analysis is ordinary least squares method. The least squares method is used to estimate the parameters of one or more regression but relationships among the errors in the response of other estimators are not allowed. One way to overcome this problem is Seemingly Unrelated Regression model (SUR in which parameters are estimated using Generalized Least Square (GLS. In this study, the author applies SUR model using GLS method on world gasoline demand data. The author obtains that SUR using GLS is better than OLS because SUR produce smaller errors than the OLS.

Estimasi Model Seemingly Unrelated Regression (SUR dengan Metode Generalized Least Square (GLS

Directory of Open Access Journals (Sweden)

Ade Widyaningsih

2014-06-01

Full Text Available Regression analysis is a statistical tool that is used to determine the relationship between two or more quantitative variables so that one variable can be predicted from the other variables. A method that can used to obtain a good estimation in the regression analysis is ordinary least squares method. The least squares method is used to estimate the parameters of one or more regression but relationships among the errors in the response of other estimators are not allowed. One way to overcome this problem is Seemingly Unrelated Regression model (SUR in which parameters are estimated using Generalized Least Square (GLS. In this study, the author applies SUR model using GLS method on world gasoline demand data. The author obtains that SUR using GLS is better than OLS because SUR produce smaller errors than the OLS.

An on-line modified least-mean-square algorithm for training neurofuzzy controllers.

Science.gov (United States)

Tan, Woei Wan

2007-04-01

The problem hindering the use of data-driven modelling methods for training controllers on-line is the lack of control over the amount by which the plant is excited. As the operating schedule determines the information available on-line, the knowledge of the process may degrade if the setpoint remains constant for an extended period. This paper proposes an identification algorithm that alleviates "learning interference" by incorporating fuzzy theory into the normalized least-mean-square update rule. The ability of the proposed methodology to achieve faster learning is examined by employing the algorithm to train a neurofuzzy feedforward controller for controlling a liquid level process. Since the proposed identification strategy has similarities with the normalized least-mean-square update rule and the recursive least-square estimator, the on-line learning rates of these algorithms are also compared.

Different approaches in Partial Least Squares and Artificial Neural Network models applied for the analysis of a ternary mixture of Amlodipine, Valsartan and Hydrochlorothiazide

Science.gov (United States)

Darwish, Hany W.; Hassan, Said A.; Salem, Maissa Y.; El-Zeany, Badr A.

2014-03-01

Different chemometric models were applied for the quantitative analysis of Amlodipine (AML), Valsartan (VAL) and Hydrochlorothiazide (HCT) in ternary mixture, namely, Partial Least Squares (PLS) as traditional chemometric model and Artificial Neural Networks (ANN) as advanced model. PLS and ANN were applied with and without variable selection procedure (Genetic Algorithm GA) and data compression procedure (Principal Component Analysis PCA). The chemometric methods applied are PLS-1, GA-PLS, ANN, GA-ANN and PCA-ANN. The methods were used for the quantitative analysis of the drugs in raw materials and pharmaceutical dosage form via handling the UV spectral data. A 3-factor 5-level experimental design was established resulting in 25 mixtures containing different ratios of the drugs. Fifteen mixtures were used as a calibration set and the other ten mixtures were used as validation set to validate the prediction ability of the suggested methods. The validity of the proposed methods was assessed using the standard addition technique.

Tensor hypercontraction. II. Least-squares renormalization

Science.gov (United States)

Parrish, Robert M.; Hohenstein, Edward G.; Martínez, Todd J.; Sherrill, C. David

2012-12-01

The least-squares tensor hypercontraction (LS-THC) representation for the electron repulsion integral (ERI) tensor is presented. Recently, we developed the generic tensor hypercontraction (THC) ansatz, which represents the fourth-order ERI tensor as a product of five second-order tensors [E. G. Hohenstein, R. M. Parrish, and T. J. Martínez, J. Chem. Phys. 137, 044103 (2012)], 10.1063/1.4732310. Our initial algorithm for the generation of the THC factors involved a two-sided invocation of overlap-metric density fitting, followed by a PARAFAC decomposition, and is denoted PARAFAC tensor hypercontraction (PF-THC). LS-THC supersedes PF-THC by producing the THC factors through a least-squares renormalization of a spatial quadrature over the otherwise singular 1/r12 operator. Remarkably, an analytical and simple formula for the LS-THC factors exists. Using this formula, the factors may be generated with O(N^5) effort if exact integrals are decomposed, or O(N^4) effort if the decomposition is applied to density-fitted integrals, using any choice of density fitting metric. The accuracy of LS-THC is explored for a range of systems using both conventional and density-fitted integrals in the context of MP2. The grid fitting error is found to be negligible even for extremely sparse spatial quadrature grids. For the case of density-fitted integrals, the additional error incurred by the grid fitting step is generally markedly smaller than the underlying Coulomb-metric density fitting error. The present results, coupled with our previously published factorizations of MP2 and MP3, provide an efficient, robust O(N^4) approach to both methods. Moreover, LS-THC is generally applicable to many other methods in quantum chemistry.

A Generalized Autocovariance Least-Squares Method for Kalman Filter Tuning

DEFF Research Database (Denmark)

Åkesson, Bernt Magnus; Jørgensen, John Bagterp; Poulsen, Niels Kjølstad

2008-01-01

This paper discusses a method for estimating noise covariances from process data. In linear stochastic state-space representations the true noise covariances are generally unknown in practical applications. Using estimated covariances a Kalman filter can be tuned in order to increase the accuracy...... of the state estimates. There is a linear relationship between covariances and autocovariance. Therefore, the covariance estimation problem can be stated as a least-squares problem, which can be solved as a symmetric semidefinite least-squares problem. This problem is convex and can be solved efficiently...... by interior-point methods. A numerical algorithm for solving the symmetric is able to handle systems with mutually correlated process noise and measurement noise. (c) 2007 Elsevier Ltd. All rights reserved....

A Two-Layer Least Squares Support Vector Machine Approach to Credit Risk Assessment

Science.gov (United States)

Liu, Jingli; Li, Jianping; Xu, Weixuan; Shi, Yong

Least squares support vector machine (LS-SVM) is a revised version of support vector machine (SVM) and has been proved to be a useful tool for pattern recognition. LS-SVM had excellent generalization performance and low computational cost. In this paper, we propose a new method called two-layer least squares support vector machine which combines kernel principle component analysis (KPCA) and linear programming form of least square support vector machine. With this method sparseness and robustness is obtained while solving large dimensional and large scale database. A U.S. commercial credit card database is used to test the efficiency of our method and the result proved to be a satisfactory one.

The comparison of partial least squares and principal component regression in simultaneous spectrophotometric determination of ascorbic acid, dopamine and uric acid in real samples

Directory of Open Access Journals (Sweden)

Habiboallah Khajehsharifi

2017-05-01

Full Text Available Partial least squares (PLS1 and principal component regression (PCR are two multivariate calibration methods that allow simultaneous determination of several analytes in spite of their overlapping spectra. In this research, a spectrophotometric method using PLS1 is proposed for the simultaneous determination of ascorbic acid (AA, dopamine (DA and uric acid (UA. The linear concentration ranges for AA, DA and UA were 1.76–47.55, 0.57–22.76 and 1.68–28.58 (in μg mL−1, respectively. However, PLS1 and PCR were applied to design calibration set based on absorption spectra in the 250–320 nm range for 36 different mixtures of AA, DA and UA, in all cases, the PLS1 calibration method showed more quantitative prediction ability than PCR method. Cross validation method was used to select the optimum number of principal components (NPC. The NPC for AA, DA and UA was found to be 4 by PLS1 and 5, 12, 8 by PCR. Prediction error sum of squares (PRESS of AA, DA and UA were 1.2461, 1.1144, 2.3104 for PLS1 and 11.0563, 1.3819, 4.0956 for PCR, respectively. Satisfactory results were achieved for the simultaneous determination of AA, DA and UA in some real samples such as human urine, serum and pharmaceutical formulations.

A FORTRAN program for a least-square fitting

International Nuclear Information System (INIS)

Yamazaki, Tetsuo

1978-01-01

A practical FORTRAN program for a least-squares fitting is presented. Although the method is quite usual, the program calculates not only the most satisfactory set of values of unknowns but also the plausible errors associated with them. As an example, a measured lateral absorbed-dose distribution in water for a narrow 25-MeV electron beam is fitted to a Gaussian distribution. (auth.)

Making the most out of the least (squares migration)

KAUST Repository

Dutta, Gaurav

2014-08-05

Standard migration images can suffer from migration artifacts due to 1) poor source-receiver sampling, 2) weak amplitudes caused by geometric spreading, 3) attenuation, 4) defocusing, 5) poor resolution due to limited source-receiver aperture, and 6) ringiness caused by a ringy source wavelet. To partly remedy these problems, least-squares migration (LSM), also known as linearized seismic inversion or migration deconvolution (MD), proposes to linearly invert seismic data for the reflectivity distribution. If the migration velocity model is sufficiently accurate, then LSM can mitigate many of the above problems and lead to a more resolved migration image, sometimes with twice the spatial resolution. However, there are two problems with LSM: the cost can be an order of magnitude more than standard migration and the quality of the LSM image is no better than the standard image for velocity errors of 5% or more. We now show how to get the most from least-squares migration by reducing the cost and velocity sensitivity of LSM.

Least squares orthogonal polynomial approximation in several independent variables

International Nuclear Information System (INIS)

Caprari, R.S.

1992-06-01

This paper begins with an exposition of a systematic technique for generating orthonormal polynomials in two independent variables by application of the Gram-Schmidt orthogonalization procedure of linear algebra. It is then demonstrated how a linear least squares approximation for experimental data or an arbitrary function can be generated from these polynomials. The least squares coefficients are computed without recourse to matrix arithmetic, which ensures both numerical stability and simplicity of implementation as a self contained numerical algorithm. The Gram-Schmidt procedure is then utilised to generate a complete set of orthogonal polynomials of fourth degree. A theory for the transformation of the polynomial representation from an arbitrary basis into the familiar sum of products form is presented, together with a specific implementation for fourth degree polynomials. Finally, the computational integrity of this algorithm is verified by reconstructing arbitrary fourth degree polynomials from their values at randomly chosen points in their domain. 13 refs., 1 tab

Least-squares reverse time migration of multiples

KAUST Repository

Zhang, Dongliang

2013-12-06

The theory of least-squares reverse time migration of multiples (RTMM) is presented. In this method, least squares migration (LSM) is used to image free-surface multiples where the recorded traces are used as the time histories of the virtual sources at the hydrophones and the surface-related multiples are the observed data. For a single source, the entire free-surface becomes an extended virtual source where the downgoing free-surface multiples more fully illuminate the subsurface compared to the primaries. Since each recorded trace is treated as the time history of a virtual source, knowledge of the source wavelet is not required and the ringy time series for each source is automatically deconvolved. If the multiples can be perfectly separated from the primaries, numerical tests on synthetic data for the Sigsbee2B and Marmousi2 models show that least-squares reverse time migration of multiples (LSRTMM) can significantly improve the image quality compared to RTMM or standard reverse time migration (RTM) of primaries. However, if there is imperfect separation and the multiples are strongly interfering with the primaries then LSRTMM images show no significant advantage over the primary migration images. In some cases, they can be of worse quality. Applying LSRTMM to Gulf of Mexico data shows higher signal-to-noise imaging of the salt bottom and top compared to standard RTM images. This is likely attributed to the fact that the target body is just below the sea bed so that the deep water multiples do not have strong interference with the primaries. Migrating a sparsely sampled version of the Marmousi2 ocean bottom seismic data shows that LSM of primaries and LSRTMM provides significantly better imaging than standard RTM. A potential liability of LSRTMM is that multiples require several round trips between the reflector and the free surface, so that high frequencies in the multiples suffer greater attenuation compared to the primary reflections. This can lead to lower

Nonlinear Least Square Based on Control Direction by Dual Method and Its Application

Directory of Open Access Journals (Sweden)

Zhengqing Fu

2016-01-01

Full Text Available A direction controlled nonlinear least square (NLS estimation algorithm using the primal-dual method is proposed. The least square model is transformed into the primal-dual model; then direction of iteration can be controlled by duality. The iterative algorithm is designed. The Hilbert morbid matrix is processed by the new model and the least square estimate and ridge estimate. The main research method is to combine qualitative analysis and quantitative analysis. The deviation between estimated values and the true value and the estimated residuals fluctuation of different methods are used for qualitative analysis. The root mean square error (RMSE is used for quantitative analysis. The results of experiment show that the model has the smallest residual error and the minimum root mean square error. The new estimate model has effectiveness and high precision. The genuine data of Jining area in unwrapping experiments are used and the comparison with other classical unwrapping algorithms is made, so better results in precision aspects can be achieved through the proposed algorithm.

Partial Least Squares with Structured Output for Modelling the Metabolomics Data Obtained from Complex Experimental Designs: A Study into the Y-Block Coding

Directory of Open Access Journals (Sweden)

Yun Xu

2016-10-01

Full Text Available Partial least squares (PLS is one of the most commonly used supervised modelling approaches for analysing multivariate metabolomics data. PLS is typically employed as either a regression model (PLS-R or a classification model (PLS-DA. However, in metabolomics studies it is common to investigate multiple, potentially interacting, factors simultaneously following a specific experimental design. Such data often cannot be considered as a “pure” regression or a classification problem. Nevertheless, these data have often still been treated as a regression or classification problem and this could lead to ambiguous results. In this study, we investigated the feasibility of designing a hybrid target matrix Y that better reflects the experimental design than simple regression or binary class membership coding commonly used in PLS modelling. The new design of Y coding was based on the same principle used by structural modelling in machine learning techniques. Two real metabolomics datasets were used as examples to illustrate how the new Y coding can improve the interpretability of the PLS model compared to classic regression/classification coding.

Application of sequential and orthogonalised-partial least squares (SO-PLS) regression to predict sensory properties of Cabernet Sauvignon wines from grape chemical composition.

Science.gov (United States)

Niimi, Jun; Tomic, Oliver; Næs, Tormod; Jeffery, David W; Bastian, Susan E P; Boss, Paul K

2018-08-01

The current study determined the applicability of sequential and orthogonalised-partial least squares (SO-PLS) regression to relate Cabernet Sauvignon grape chemical composition to the sensory perception of the corresponding wines. Grape samples (n = 25) were harvested at a similar maturity and vinified identically in 2013. Twelve measures using various (bio)chemical methods were made on grapes. Wines were evaluated using descriptive analysis with a trained panel (n = 10) for sensory profiling. Data was analysed globally using SO-PLS for the entire sensory profiles (SO-PLS2), as well as for single sensory attributes (SO-PLS1). SO-PLS1 models were superior in validated explained variances than SO-PLS2. SO-PLS provided a structured approach in the selection of predictor chemical data sets that best contributed to the correlation of important sensory attributes. This new approach presents great potential for application in other explorative metabolomics studies of food and beverages to address factors such as quality and regional influences. Copyright © 2018 Elsevier Ltd. All rights reserved.

Partial Least Squares Regression for Determining the Control Factors for Runoff and Suspended Sediment Yield during Rainfall Events

Directory of Open Access Journals (Sweden)

Nufang Fang

2015-07-01

Full Text Available Multivariate statistics are commonly used to identify the factors that control the dynamics of runoff or sediment yields during hydrological processes. However, one issue with the use of conventional statistical methods to address relationships between variables and runoff or sediment yield is multicollinearity. The main objectives of this study were to apply a method for effectively identifying runoff and sediment control factors during hydrological processes and apply that method to a case study. The method combines the clustering approach and partial least squares regression (PLSR models. The case study was conducted in a mountainous watershed in the Three Gorges Area. A total of 29 flood events in three hydrological years in areas with different land uses were obtained. In total, fourteen related variables were separated from hydrographs using the classical hydrograph separation method. Twenty-nine rainfall events were classified into two rainfall regimes (heavy Rainfall Regime I and moderate Rainfall Regime II based on rainfall characteristics and K-means clustering. Four separate PLSR models were constructed to identify the main variables that control runoff and sediment yield for the two rainfall regimes. For Rainfall Regime I, the dominant first-order factors affecting the changes in sediment yield in our study were all of the four rainfall-related variables, flood peak discharge, maximum flood suspended sediment concentration, runoff, and the percentages of forest and farmland. For Rainfall Regime II, antecedent condition-related variables have more effects on both runoff and sediment yield than in Rainfall Regime I. The results suggest that the different control factors of the two rainfall regimes are determined by the rainfall characteristics and thus different runoff mechanisms.

Spectral mimetic least-squares method for div-curl systems

NARCIS (Netherlands)

Gerritsma, Marc; Palha, Artur; Lirkov, I.; Margenov, S.

2018-01-01

In this paper the spectral mimetic least-squares method is applied to a two-dimensional div-curl system. A test problem is solved on orthogonal and curvilinear meshes and both h- and p-convergence results are presented. The resulting solutions will be pointwise divergence-free for these test

Dynamic least-squares kernel density modeling of Fokker-Planck equations with application to neural population.

Science.gov (United States)

Shotorban, Babak

2010-04-01

The dynamic least-squares kernel density (LSQKD) model [C. Pantano and B. Shotorban, Phys. Rev. E 76, 066705 (2007)] is used to solve the Fokker-Planck equations. In this model the probability density function (PDF) is approximated by a linear combination of basis functions with unknown parameters whose governing equations are determined by a global least-squares approximation of the PDF in the phase space. In this work basis functions are set to be Gaussian for which the mean, variance, and covariances are governed by a set of partial differential equations (PDEs) or ordinary differential equations (ODEs) depending on what phase-space variables are approximated by Gaussian functions. Three sample problems of univariate double-well potential, bivariate bistable neurodynamical system [G. Deco and D. Martí, Phys. Rev. E 75, 031913 (2007)], and bivariate Brownian particles in a nonuniform gas are studied. The LSQKD is verified for these problems as its results are compared against the results of the method of characteristics in nondiffusive cases and the stochastic particle method in diffusive cases. For the double-well potential problem it is observed that for low to moderate diffusivity the dynamic LSQKD well predicts the stationary PDF for which there is an exact solution. A similar observation is made for the bistable neurodynamical system. In both these problems least-squares approximation is made on all phase-space variables resulting in a set of ODEs with time as the independent variable for the Gaussian function parameters. In the problem of Brownian particles in a nonuniform gas, this approximation is made only for the particle velocity variable leading to a set of PDEs with time and particle position as independent variables. Solving these PDEs, a very good performance by LSQKD is observed for a wide range of diffusivities.

Multisplitting for linear, least squares and nonlinear problems

Energy Technology Data Exchange (ETDEWEB)

Renaut, R.

1996-12-31

In earlier work, presented at the 1994 Iterative Methods meeting, a multisplitting (MS) method of block relaxation type was utilized for the solution of the least squares problem, and nonlinear unconstrained problems. This talk will focus on recent developments of the general approach and represents joint work both with Andreas Frommer, University of Wupertal for the linear problems and with Hans Mittelmann, Arizona State University for the nonlinear problems.

Attenuation compensation in least-squares reverse time migration using the visco-acoustic wave equation

KAUST Repository

Dutta, Gaurav

2013-08-20

Attenuation leads to distortion of amplitude and phase of seismic waves propagating inside the earth. Conventional acoustic and least-squares reverse time migration do not account for this distortion which leads to defocusing of migration images in highly attenuative geological environments. To account for this distortion, we propose to use the visco-acoustic wave equation for least-squares reverse time migration. Numerical tests on synthetic data show that least-squares reverse time migration with the visco-acoustic wave equation corrects for this distortion and produces images with better balanced amplitudes compared to the conventional approach. © 2013 SEG.

Track Circuit Fault Diagnosis Method based on Least Squares Support Vector

Science.gov (United States)

Cao, Yan; Sun, Fengru

2018-01-01

In order to improve the troubleshooting efficiency and accuracy of the track circuit, track circuit fault diagnosis method was researched. Firstly, the least squares support vector machine was applied to design the multi-fault classifier of the track circuit, and then the measured track data as training samples was used to verify the feasibility of the methods. Finally, the results based on BP neural network fault diagnosis methods and the methods used in this paper were compared. Results shows that the track fault classifier based on least squares support vector machine can effectively achieve the five track circuit fault diagnosis with less computing time.

Wind Tunnel Strain-Gage Balance Calibration Data Analysis Using a Weighted Least Squares Approach

Science.gov (United States)

Ulbrich, N.; Volden, T.

2017-01-01

A new approach is presented that uses a weighted least squares fit to analyze wind tunnel strain-gage balance calibration data. The weighted least squares fit is specifically designed to increase the influence of single-component loadings during the regression analysis. The weighted least squares fit also reduces the impact of calibration load schedule asymmetries on the predicted primary sensitivities of the balance gages. A weighting factor between zero and one is assigned to each calibration data point that depends on a simple count of its intentionally loaded load components or gages. The greater the number of a data point's intentionally loaded load components or gages is, the smaller its weighting factor becomes. The proposed approach is applicable to both the Iterative and Non-Iterative Methods that are used for the analysis of strain-gage balance calibration data in the aerospace testing community. The Iterative Method uses a reasonable estimate of the tare corrected load set as input for the determination of the weighting factors. The Non-Iterative Method, on the other hand, uses gage output differences relative to the natural zeros as input for the determination of the weighting factors. Machine calibration data of a six-component force balance is used to illustrate benefits of the proposed weighted least squares fit. In addition, a detailed derivation of the PRESS residuals associated with a weighted least squares fit is given in the appendices of the paper as this information could not be found in the literature. These PRESS residuals may be needed to evaluate the predictive capabilities of the final regression models that result from a weighted least squares fit of the balance calibration data.

A comparison of two least-squared random coefficient autoregressive models: with and without autocorrelated errors

OpenAIRE

Autcha Araveeporn

2013-01-01

This paper compares a Least-Squared Random Coefficient Autoregressive (RCA) model with a Least-Squared RCA model based on Autocorrelated Errors (RCA-AR). We looked at only the first order models, denoted RCA(1) and RCA(1)-AR(1). The efficiency of the Least-Squared method was checked by applying the models to Brownian motion and Wiener process, and the efficiency followed closely the asymptotic properties of a normal distribution. In a simulation study, we compared the performance of RCA(1) an...

Application of the Polynomial-Based Least Squares and Total Least Squares Models for the Attenuated Total Reflection Fourier Transform Infrared Spectra of Binary Mixtures of Hydroxyl Compounds.

Science.gov (United States)

Shan, Peng; Peng, Silong; Zhao, Yuhui; Tang, Liang

2016-03-01

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. © The Author(s) 2016.

Preconditioned Iterative Methods for Solving Weighted Linear Least Squares Problems

Czech Academy of Sciences Publication Activity Database

Bru, R.; Marín, J.; Mas, J.; Tůma, Miroslav

2014-01-01

Roč. 36, č. 4 (2014), A2002-A2022 ISSN 1064-8275 Institutional support: RVO:67985807 Keywords : preconditioned iterative methods * incomplete decompositions * approximate inverses * linear least squares Subject RIV: BA - General Mathematics Impact factor: 1.854, year: 2014

Analysis of quantile regression as alternative to ordinary least squares

OpenAIRE

Ibrahim Abdullahi; Abubakar Yahaya

2015-01-01

In this article, an alternative to ordinary least squares (OLS) regression based on analytical solution in the Statgraphics software is considered, and this alternative is no other than quantile regression (QR) model. We also present goodness of fit statistic as well as approximate distributions of the associated test statistics for the parameters. Furthermore, we suggest a goodness of fit statistic called the least absolute deviation (LAD) coefficient of determination. The procedure is well ...

Spectral/hp least-squares finite element formulation for the Navier-Stokes equations

International Nuclear Information System (INIS)

Pontaza, J.P.; Reddy, J.N.

2003-01-01

We consider the application of least-squares finite element models combined with spectral/hp methods for the numerical solution of viscous flow problems. The paper presents the formulation, validation, and application of a spectral/hp algorithm to the numerical solution of the Navier-Stokes equations governing two- and three-dimensional stationary incompressible and low-speed compressible flows. The Navier-Stokes equations are expressed as an equivalent set of first-order equations by introducing vorticity or velocity gradients as additional independent variables and the least-squares method is used to develop the finite element model. High-order element expansions are used to construct the discrete model. The discrete model thus obtained is linearized by Newton's method, resulting in a linear system of equations with a symmetric positive definite coefficient matrix that is solved in a fully coupled manner by a preconditioned conjugate gradient method. Spectral convergence of the L 2 least-squares functional and L 2 error norms is verified using smooth solutions to the two-dimensional stationary Poisson and incompressible Navier-Stokes equations. Numerical results for flow over a backward-facing step, steady flow past a circular cylinder, three-dimensional lid-driven cavity flow, and compressible buoyant flow inside a square enclosure are presented to demonstrate the predictive capability and robustness of the proposed formulation

Efficient non-linear model reduction via a least-squares Petrov-Galerkin projection and compressive tensor approximations

KAUST Repository

Carlberg, Kevin

2010-10-28

A Petrov-Galerkin projection method is proposed for reducing the dimension of a discrete non-linear static or dynamic computational model in view of enabling its processing in real time. The right reduced-order basis is chosen to be invariant and is constructed using the Proper Orthogonal Decomposition method. The left reduced-order basis is selected to minimize the two-norm of the residual arising at each Newton iteration. Thus, this basis is iteration-dependent, enables capturing of non-linearities, and leads to the globally convergent Gauss-Newton method. To avoid the significant computational cost of assembling the reduced-order operators, the residual and action of the Jacobian on the right reduced-order basis are each approximated by the product of an invariant, large-scale matrix, and an iteration-dependent, smaller one. The invariant matrix is computed using a data compression procedure that meets proposed consistency requirements. The iteration-dependent matrix is computed to enable the least-squares reconstruction of some entries of the approximated quantities. The results obtained for the solution of a turbulent flow problem and several non-linear structural dynamics problems highlight the merit of the proposed consistency requirements. They also demonstrate the potential of this method to significantly reduce the computational cost associated with high-dimensional non-linear models while retaining their accuracy. © 2010 John Wiley & Sons, Ltd.

Efficient non-linear model reduction via a least-squares Petrov-Galerkin projection and compressive tensor approximations

KAUST Repository

Carlberg, Kevin; Bou-Mosleh, Charbel; Farhat, Charbel

2010-01-01

A Petrov-Galerkin projection method is proposed for reducing the dimension of a discrete non-linear static or dynamic computational model in view of enabling its processing in real time. The right reduced-order basis is chosen to be invariant and is constructed using the Proper Orthogonal Decomposition method. The left reduced-order basis is selected to minimize the two-norm of the residual arising at each Newton iteration. Thus, this basis is iteration-dependent, enables capturing of non-linearities, and leads to the globally convergent Gauss-Newton method. To avoid the significant computational cost of assembling the reduced-order operators, the residual and action of the Jacobian on the right reduced-order basis are each approximated by the product of an invariant, large-scale matrix, and an iteration-dependent, smaller one. The invariant matrix is computed using a data compression procedure that meets proposed consistency requirements. The iteration-dependent matrix is computed to enable the least-squares reconstruction of some entries of the approximated quantities. The results obtained for the solution of a turbulent flow problem and several non-linear structural dynamics problems highlight the merit of the proposed consistency requirements. They also demonstrate the potential of this method to significantly reduce the computational cost associated with high-dimensional non-linear models while retaining their accuracy. © 2010 John Wiley & Sons, Ltd.

A novel exploratory chemometric approach to environmental monitorring by combining block clustering with Partial Least Square (PLS) analysis

Science.gov (United States)

2013-01-01

Background Given the serious threats posed to terrestrial ecosystems by industrial contamination, environmental monitoring is a standard procedure used for assessing the current status of an environment or trends in environmental parameters. Measurement of metal concentrations at different trophic levels followed by their statistical analysis using exploratory multivariate methods can provide meaningful information on the status of environmental quality. In this context, the present paper proposes a novel chemometric approach to standard statistical methods by combining the Block clustering with Partial least square (PLS) analysis to investigate the accumulation patterns of metals in anthropized terrestrial ecosystems. The present study focused on copper, zinc, manganese, iron, cobalt, cadmium, nickel, and lead transfer along a soil-plant-snai food chain, and the hepatopancreas of the Roman snail (Helix pomatia) was used as a biological end-point of metal accumulation. Results Block clustering deliniates between the areas exposed to industrial and vehicular contamination. The toxic metals have similar distributions in the nettle leaves and snail hepatopancreas. PLS analysis showed that (1) zinc and copper concentrations at the lower trophic levels are the most important latent factors that contribute to metal accumulation in land snails; (2) cadmium and lead are the main determinants of pollution pattern in areas exposed to industrial contamination; (3) at the sites located near roads lead is the most threatfull metal for terrestrial ecosystems. Conclusion There were three major benefits by applying block clustering with PLS for processing the obtained data: firstly, it helped in grouping sites depending on the type of contamination. Secondly, it was valuable for identifying the latent factors that contribute the most to metal accumulation in land snails. Finally, it optimized the number and type of data that are best for monitoring the status of metallic

Correlation between the plasma characteristics and the surface chemistry of plasma-treated polymers through partial least-squares analysis.

Science.gov (United States)

Mavadat, Maryam; Ghasemzadeh-Barvarz, Massoud; Turgeon, Stéphane; Duchesne, Carl; Laroche, Gaétan

2013-12-23

We investigated the effect of various plasma parameters (relative density of atomic N and H, plasma temperature, and vibrational temperature) and process conditions (pressure and H2/(N2 + H2) ratio) on the chemical composition of modified poly(tetrafluoroethylene) (PTFE). The plasma parameters were measured by means of near-infrared (NIR) and UV-visible emission spectroscopy with and without actinometry. The process conditions of the N2-H2 microwave discharges were set at various pressures ranging from 100 to 2000 mTorr and H2/(N2+H2) gas mixture ratios between 0 and 0.4. The surface chemical composition of the modified polymers was determined by X-ray photoelectron spectroscopy (XPS). A mathematical model was constructed using the partial least-squares regression algorithm to correlate the plasma information (process condition and plasma parameters as determined by emission spectroscopy) with the modified surface characteristics. To construct the model, a set of data input variables containing process conditions and plasma parameters were generated, as well as a response matrix containing the surface composition of the polymer. This model was used to predict the composition of PTFE surfaces subjected to N2-H2 plasma treatment. Contrary to what is generally accepted in the literature, the present data demonstrate that hydrogen is not directly involved in the defluorination of the surface but rather produces atomic nitrogen and/or NH radicals that are shown to be at the origin of fluorine atom removal from the polymer surface. The results show that process conditions alone do not suffice in predicting the surface chemical composition and that the plasma characteristics, which cannot be easily correlated with these conditions, should be considered. Process optimization and control would benefit from plasma diagnostics, particularly infrared emission spectroscopy.

A novel exploratory chemometric approach to environmental monitorring by combining block clustering with Partial Least Square (PLS) analysis.

Science.gov (United States)

Nica, Dragos V; Bordean, Despina Maria; Pet, Ioan; Pet, Elena; Alda, Simion; Gergen, Iosif

2013-08-30

Given the serious threats posed to terrestrial ecosystems by industrial contamination, environmental monitoring is a standard procedure used for assessing the current status of an environment or trends in environmental parameters. Measurement of metal concentrations at different trophic levels followed by their statistical analysis using exploratory multivariate methods can provide meaningful information on the status of environmental quality. In this context, the present paper proposes a novel chemometric approach to standard statistical methods by combining the Block clustering with Partial least square (PLS) analysis to investigate the accumulation patterns of metals in anthropized terrestrial ecosystems. The present study focused on copper, zinc, manganese, iron, cobalt, cadmium, nickel, and lead transfer along a soil-plant-snai food chain, and the hepatopancreas of the Roman snail (Helix pomatia) was used as a biological end-point of metal accumulation. Block clustering deliniates between the areas exposed to industrial and vehicular contamination. The toxic metals have similar distributions in the nettle leaves and snail hepatopancreas. PLS analysis showed that (1) zinc and copper concentrations at the lower trophic levels are the most important latent factors that contribute to metal accumulation in land snails; (2) cadmium and lead are the main determinants of pollution pattern in areas exposed to industrial contamination; (3) at the sites located near roads lead is the most threatfull metal for terrestrial ecosystems. There were three major benefits by applying block clustering with PLS for processing the obtained data: firstly, it helped in grouping sites depending on the type of contamination. Secondly, it was valuable for identifying the latent factors that contribute the most to metal accumulation in land snails. Finally, it optimized the number and type of data that are best for monitoring the status of metallic contamination in terrestrial ecosystems

Rapid Detection of Pesticide Residues in Chinese Herbal Medicines by Fourier Transform Infrared Spectroscopy Coupled with Partial Least Squares Regression

Directory of Open Access Journals (Sweden)

Tianming Yang

2016-01-01

Full Text Available This paper reports a simple, rapid, and effective method for simultaneous detection of cartap (Ca, thiocyclam (Th, and tebufenozide (Te in Chinese herbal medicines including Radix Angelicae Dahuricae and Liquorices using Fourier transform infrared spectroscopy (FT-IR coupled with partial least squares regression (PLSR. The proposed method can handle the intrinsic interferences of herbal samples; satisfactory average recoveries attained from near-infrared (NIR and mid-infrared (MIR PLSR models were 99.0±10.8 and 100.2±1.0% for Ca, 100.2±6.9 and 99.7±2.5% for Th, and 99.1±6.3 and 99.6±1.0% for Te, respectively. Furthermore, some statistical parameters and figures of merit are fully investigated to evaluate the performance of the two models. It was found that both models could give accurate results and only the performance of MIR-PLSR was slightly better than that of NIR-PLSR in the cases suffering from herbal matrix interferences. In conclusion, FT-IR spectroscopy in combination with PLSR has been demonstrated for its application in rapid screening and quantitative analysis of multipesticide residues in Chinese herbal medicines without physical or chemical separation pretreatment step and any spectral processing, which also implies other potential applications such as food and drug safety, herbal plants quality, and environmental evaluation, due to its advantages of nontoxic and nondestructive analysis.

On the multivariate total least-squares approach to empirical coordinate transformations. Three algorithms

Science.gov (United States)

Schaffrin, Burkhard; Felus, Yaron A.

2008-06-01

The multivariate total least-squares (MTLS) approach aims at estimating a matrix of parameters, Ξ, from a linear model ( Y- E Y = ( X- E X ) · Ξ) that includes an observation matrix, Y, another observation matrix, X, and matrices of randomly distributed errors, E Y and E X . Two special cases of the MTLS approach include the standard multivariate least-squares approach where only the observation matrix, Y, is perturbed by random errors and, on the other hand, the data least-squares approach where only the coefficient matrix X is affected by random errors. In a previous contribution, the authors derived an iterative algorithm to solve the MTLS problem by using the nonlinear Euler-Lagrange conditions. In this contribution, new lemmas are developed to analyze the iterative algorithm, modify it, and compare it with a new ‘closed form’ solution that is based on the singular-value decomposition. For an application, the total least-squares approach is used to estimate the affine transformation parameters that convert cadastral data from the old to the new Israeli datum. Technical aspects of this approach, such as scaling the data and fixing the columns in the coefficient matrix are investigated. This case study illuminates the issue of “symmetry” in the treatment of two sets of coordinates for identical point fields, a topic that had already been emphasized by Teunissen (1989, Festschrift to Torben Krarup, Geodetic Institute Bull no. 58, Copenhagen, Denmark, pp 335-342). The differences between the standard least-squares and the TLS approach are analyzed in terms of the estimated variance component and a first-order approximation of the dispersion matrix of the estimated parameters.

Sustainability Evaluation of Power Grid Construction Projects Using Improved TOPSIS and Least Square Support Vector Machine with Modified Fly Optimization Algorithm

Directory of Open Access Journals (Sweden)

Dongxiao Niu

2018-01-01

Full Text Available The electric power industry is of great significance in promoting social and economic development and improving people’s living standards. Power grid construction is a necessary part of infrastructure construction, whose sustainability plays an important role in economic development, environmental protection and social progress. In order to effectively evaluate the sustainability of power grid construction projects, in this paper, we first identified 17 criteria from four dimensions including economy, technology, society and environment to establish the evaluation criteria system. After that, the grey incidence analysis was used to modify the traditional Technique for Order Preference by Similarity to an Ideal Solution (TOPSIS, which made it possible to evaluate the sustainability of electric power construction projects based on visual angle of similarity and nearness. Then, in order to simplify the procedure of experts scoring and computation, on the basis of evaluation results of the improved TOPSIS, the model using Modified Fly Optimization Algorithm (MFOA to optimize the Least Square Support Vector Machine (LSSVM was established. Finally, a numerical example was given to demonstrate the effectiveness of the proposed model.

Growth kinetics of borided layers: Artificial neural network and least square approaches

Science.gov (United States)

Campos, I.; Islas, M.; Ramírez, G.; VillaVelázquez, C.; Mota, C.

2007-05-01

The present study evaluates the growth kinetics of the boride layer Fe 2B in AISI 1045 steel, by means of neural networks and the least square techniques. The Fe 2B phase was formed at the material surface using the paste boriding process. The surface boron potential was modified considering different boron paste thicknesses, with exposure times of 2, 4 and 6 h, and treatment temperatures of 1193, 1223 and 1273 K. The neural network and the least square models were set by the layer thickness of Fe 2B phase, and assuming that the growth of the boride layer follows a parabolic law. The reliability of the techniques used is compared with a set of experiments at a temperature of 1223 K with 5 h of treatment time and boron potentials of 2, 3, 4 and 5 mm. The results of the Fe 2B layer thicknesses show a mean error of 5.31% for the neural network and 3.42% for the least square method.

Assessing the impacts of human activities and climate variations on grassland productivity by partial least squares structural equation modeling (PLS-SEM)

Institute of Scientific and Technical Information of China (English)

SHA Zongyao; XIE Yichun; TAN Xicheng; BAI Yongfei; LI Jonathan; LIU Xuefeng

2017-01-01

The cause-effect associations between geographical phenomena are an important focus in ecological research.Recent studies in structural equation modeling (SEM) demonstrated the potential for analyzing such associations.We applied the variance-based partial least squares SEM (PLS-SEM) and geographically-weighted regression (GWR) modeling to assess the human-climate impact on grassland productivity represented by above-ground biomass (AGB).The human and climate factors and their interaction were taken to explain the AGB variance by a PLS-SEM developed for the grassland ecosystem in Inner Mongolia,China.Results indicated that 65.5％ of the AGB variance could be explained by the human and climate factors and their interaction.The case study showed that the human and climate factors imposed a significant and negative impact on the AGB and that their interaction alleviated to some extent the threat from the intensified human-climate pressure.The alleviation may be attributable to vegetation adaptation to high human-climate stresses,to human adaptation to climate conditions or/and to recent vegetation restoration programs in the highly degraded areas.Furthermore,the AGB response to the human and climate factors modeled by GWR exhibited significant spatial variations.This study demonstrated that the combination of PLS-SEM and GWR model is feasible to investigate the cause-effect relation in socio-ecological systems.

Sensory and instrumental texture assessment of roasted pistachio nut/kernel by partial least square (PLS) regression analysis: effect of roasting conditions.

Science.gov (United States)

Mohammadi Moghaddam, Toktam; Razavi, Seyed M A; Taghizadeh, Masoud; Sazgarnia, Ameneh

2016-01-01

Roasting is an important step in the processing of pistachio nuts. The effect of hot air roasting temperature (90, 120 and 150 °C), time (20, 35 and 50 min) and air velocity (0.5, 1.5 and 2.5 m/s) on textural and sensory characteristics of pistachio nuts and kernels were investigated. The results showed that increasing the roasting temperature decreased the fracture force (82-25.54 N), instrumental hardness (82.76-37.59 N), apparent modulus of elasticity (47-21.22 N/s), compressive energy (280.73-101.18 N.s) and increased amount of bitterness (1-2.5) and the hardness score (6-8.40) of pistachio kernels. Higher roasting time improved the flavor of samples. The results of the consumer test showed that the roasted pistachio kernels have good acceptability for flavor (score 5.83-8.40), color (score 7.20-8.40) and hardness (score 6-8.40) acceptance. Moreover, Partial Least Square (PLS) analysis of instrumental and sensory data provided important information for the correlation of objective and subjective properties. The univariate analysis showed that over 93.87 % of the variation in sensory hardness and almost 87 % of the variation in sensory acceptability could be explained by instrumental texture properties.

Intelligent Control of a Sensor-Actuator System via Kernelized Least-Squares Policy Iteration

Directory of Open Access Journals (Sweden)

Bo Liu

2012-02-01

Full Text Available In this paper a new framework, called Compressive Kernelized Reinforcement Learning (CKRL, for computing near-optimal policies in sequential decision making with uncertainty is proposed via incorporating the non-adaptive data-independent Random Projections and nonparametric Kernelized Least-squares Policy Iteration (KLSPI. Random Projections are a fast, non-adaptive dimensionality reduction framework in which high-dimensionality data is projected onto a random lower-dimension subspace via spherically random rotation and coordination sampling. KLSPI introduce kernel trick into the LSPI framework for Reinforcement Learning, often achieving faster convergence and providing automatic feature selection via various kernel sparsification approaches. In this approach, policies are computed in a low-dimensional subspace generated by projecting the high-dimensional features onto a set of random basis. We first show how Random Projections constitute an efficient sparsification technique and how our method often converges faster than regular LSPI, while at lower computational costs. Theoretical foundation underlying this approach is a fast approximation of Singular Value Decomposition (SVD. Finally, simulation results are exhibited on benchmark MDP domains, which confirm gains both in computation time and in performance in large feature spaces.

Evaluation of the prediction precision capability of partial least squares regression approach for analysis of high alloy steel by laser induced breakdown spectroscopy

Science.gov (United States)

Sarkar, Arnab; Karki, Vijay; Aggarwal, Suresh K.; Maurya, Gulab S.; Kumar, Rohit; Rai, Awadhesh K.; Mao, Xianglei; Russo, Richard E.

2015-06-01

Laser induced breakdown spectroscopy (LIBS) was applied for elemental characterization of high alloy steel using partial least squares regression (PLSR) with an objective to evaluate the analytical performance of this multivariate approach. The optimization of the number of principle components for minimizing error in PLSR algorithm was investigated. The effect of different pre-treatment procedures on the raw spectral data before PLSR analysis was evaluated based on several statistical (standard error of prediction, percentage relative error of prediction etc.) parameters. The pre-treatment with "NORM" parameter gave the optimum statistical results. The analytical performance of PLSR model improved by increasing the number of laser pulses accumulated per spectrum as well as by truncating the spectrum to appropriate wavelength region. It was found that the statistical benefit of truncating the spectrum can also be accomplished by increasing the number of laser pulses per accumulation without spectral truncation. The constituents (Co and Mo) present in hundreds of ppm were determined with relative precision of 4-9% (2σ), whereas the major constituents Cr and Ni (present at a few percent levels) were determined with a relative precision of ~ 2%(2σ).

[Prediction of total nitrogen and alkali hydrolysable nitrogen content in loess using hyperspectral data based on correlation analysis and partial least squares regression].

Science.gov (United States)

Liu, Xiu-ying; Wang, Li; Chang, Qing-rui; Wang, Xiao-xing; Shang, Yan

2015-07-01

Wuqi County of Shaanxi Province, where the vegetation recovering measures have been carried out for years, was taken as the study area. A total of 100 loess samples from 24 different profiles were collected. Total nitrogen (TN) and alkali hydrolysable nitrogen (AHN) contents of the soil samples were analyzed, and the soil samples were scanned in the visible/near-infrared (VNIR) region of 350-2500 nm in the laboratory. The calibration models were developed between TN and AHN contents and VNIR values based on correlation analysis (CA) and partial least squares regression (PLS). Independent samples validated the calibration models. The results indicated that the optimum model for predicting TN of loess was established by using first derivative of reflectance. The best model for predicting AHN of loess was established by using normal derivative spectra. The optimum TN model could effectively predict TN in loess from 0 to 40 cm, but the optimum AHN model could only roughly predict AHN at the same depth. This study provided a good method for rapidly predicting TN of loess where vegetation recovering measures have been adopted, but prediction of AHN needs to be further studied.

New method to incorporate Type B uncertainty into least-squares procedures in radionuclide metrology

International Nuclear Information System (INIS)

Han, Jubong; Lee, K.B.; Lee, Jong-Man; Park, Tae Soon; Oh, J.S.; Oh, Pil-Jei

2016-01-01

We discuss a new method to incorporate Type B uncertainty into least-squares procedures. The new method is based on an extension of the likelihood function from which a conventional least-squares function is derived. The extended likelihood function is the product of the original likelihood function with additional PDFs (Probability Density Functions) that characterize the Type B uncertainties. The PDFs are considered to describe one's incomplete knowledge on correction factors being called nuisance parameters. We use the extended likelihood function to make point and interval estimations of parameters in the basically same way as the least-squares function used in the conventional least-squares method is derived. Since the nuisance parameters are not of interest and should be prevented from appearing in the final result, we eliminate such nuisance parameters by using the profile likelihood. As an example, we present a case study for a linear regression analysis with a common component of Type B uncertainty. In this example we compare the analysis results obtained from using our procedure with those from conventional methods. - Highlights: • A new method proposed to incorporate Type B uncertainty into least-squares method. • The method constructed from the likelihood function and PDFs of Type B uncertainty. • A case study performed to compare results from the new and the conventional method. • Fitted parameters are consistent but with larger uncertainties in the new method.

Kennard-Stone combined with least square support vector machine method for noncontact discriminating human blood species

Science.gov (United States)

Zhang, Linna; Li, Gang; Sun, Meixiu; Li, Hongxiao; Wang, Zhennan; Li, Yingxin; Lin, Ling

2017-11-01

Identifying whole bloods to be either human or nonhuman is an important responsibility for import-export ports and inspection and quarantine departments. Analytical methods and DNA testing methods are usually destructive. Previous studies demonstrated that visible diffuse reflectance spectroscopy method can realize noncontact human and nonhuman blood discrimination. An appropriate method for calibration set selection was very important for a robust quantitative model. In this paper, Random Selection (RS) method and Kennard-Stone (KS) method was applied in selecting samples for calibration set. Moreover, proper stoichiometry method can be greatly beneficial for improving the performance of classification model or quantification model. Partial Least Square Discrimination Analysis (PLSDA) method was commonly used in identification of blood species with spectroscopy methods. Least Square Support Vector Machine (LSSVM) was proved to be perfect for discrimination analysis. In this research, PLSDA method and LSSVM method was used for human blood discrimination. Compared with the results of PLSDA method, this method could enhance the performance of identified models. The overall results convinced that LSSVM method was more feasible for identifying human and animal blood species, and sufficiently demonstrated LSSVM method was a reliable and robust method for human blood identification, and can be more effective and accurate.

BRGLM, Interactive Linear Regression Analysis by Least Square Fit

International Nuclear Information System (INIS)

Ringland, J.T.; Bohrer, R.E.; Sherman, M.E.

1985-01-01

1 - Description of program or function: BRGLM is an interactive program written to fit general linear regression models by least squares and to provide a variety of statistical diagnostic information about the fit. Stepwise and all-subsets regression can be carried out also. There are facilities for interactive data management (e.g. setting missing value flags, data transformations) and tools for constructing design matrices for the more commonly-used models such as factorials, cubic Splines, and auto-regressions. 2 - Method of solution: The least squares computations are based on the orthogonal (QR) decomposition of the design matrix obtained using the modified Gram-Schmidt algorithm. 3 - Restrictions on the complexity of the problem: The current release of BRGLM allows maxima of 1000 observations, 99 variables, and 3000 words of main memory workspace. For a problem with N observations and P variables, the number of words of main memory storage required is MAX(N*(P+6), N*P+P*P+3*N, and 3*P*P+6*N). Any linear model may be fit although the in-memory workspace will have to be increased for larger problems

Feature extraction through least squares fit to a simple model

International Nuclear Information System (INIS)

Demuth, H.B.

1976-01-01

The Oak Ridge National Laboratory (ORNL) presented the Los Alamos Scientific Laboratory (LASL) with 18 radiographs of fuel rod test bundles. The problem is to estimate the thickness of the gap between some cylindrical rods and a flat wall surface. The edges of the gaps are poorly defined due to finite source size, x-ray scatter, parallax, film grain noise, and other degrading effects. The radiographs were scanned and the scan-line data were averaged to reduce noise and to convert the problem to one dimension. A model of the ideal gap, convolved with an appropriate point-spread function, was fit to the averaged data with a least squares program; and the gap width was determined from the final fitted-model parameters. The least squares routine did converge and the gaps obtained are of reasonable size. The method is remarkably insensitive to noise. This report describes the problem, the techniques used to solve it, and the results and conclusions. Suggestions for future work are also given

A constrained robust least squares approach for contaminant release history identification

Science.gov (United States)

Sun, Alexander Y.; Painter, Scott L.; Wittmeyer, Gordon W.

2006-04-01

Contaminant source identification is an important type of inverse problem in groundwater modeling and is subject to both data and model uncertainty. Model uncertainty was rarely considered in the previous studies. In this work, a robust framework for solving contaminant source recovery problems is introduced. The contaminant source identification problem is first cast into one of solving uncertain linear equations, where the response matrix is constructed using a superposition technique. The formulation presented here is general and is applicable to any porous media flow and transport solvers. The robust least squares (RLS) estimator, which originated in the field of robust identification, directly accounts for errors arising from model uncertainty and has been shown to significantly reduce the sensitivity of the optimal solution to perturbations in model and data. In this work, a new variant of RLS, the constrained robust least squares (CRLS), is formulated for solving uncertain linear equations. CRLS allows for additional constraints, such as nonnegativity, to be imposed. The performance of CRLS is demonstrated through one- and two-dimensional test problems. When the system is ill-conditioned and uncertain, it is found that CRLS gave much better performance than its classical counterpart, the nonnegative least squares. The source identification framework developed in this work thus constitutes a reliable tool for recovering source release histories in real applications.

PENERAPAN METODE LEAST MEDIAN SQUARE-MINIMUM COVARIANCE DETERMINANT (LMS-MCD DALAM REGRESI KOMPONEN UTAMA

Directory of Open Access Journals (Sweden)

I PUTU EKA IRAWAN

2013-11-01

Full Text Available Principal Component Regression is a method to overcome multicollinearity techniques by combining principal component analysis with regression analysis. The calculation of classical principal component analysis is based on the regular covariance matrix. The covariance matrix is optimal if the data originated from a multivariate normal distribution, but is very sensitive to the presence of outliers. Alternatives are used to overcome this problem the method of Least Median Square-Minimum Covariance Determinant (LMS-MCD. The purpose of this research is to conduct a comparison between Principal Component Regression (RKU and Method of Least Median Square - Minimum Covariance Determinant (LMS-MCD in dealing with outliers. In this study, Method of Least Median Square - Minimum Covariance Determinant (LMS-MCD has a bias and mean square error (MSE is smaller than the parameter RKU. Based on the difference of parameter estimators, still have a test that has a difference of parameter estimators method LMS-MCD greater than RKU method.

Least-squares methods for identifying biochemical regulatory networks from noisy measurements

Directory of Open Access Journals (Sweden)

Heslop-Harrison Pat

2007-01-01

Full Text Available Abstract Background We consider the problem of identifying the dynamic interactions in biochemical networks from noisy experimental data. Typically, approaches for solving this problem make use of an estimation algorithm such as the well-known linear Least-Squares (LS estimation technique. We demonstrate that when time-series measurements are corrupted by white noise and/or drift noise, more accurate and reliable identification of network interactions can be achieved by employing an estimation algorithm known as Constrained Total Least Squares (CTLS. The Total Least Squares (TLS technique is a generalised least squares method to solve an overdetermined set of equations whose coefficients are noisy. The CTLS is a natural extension of TLS to the case where the noise components of the coefficients are correlated, as is usually the case with time-series measurements of concentrations and expression profiles in gene networks. Results The superior performance of the CTLS method in identifying network interactions is demonstrated on three examples: a genetic network containing four genes, a network describing p53 activity and mdm2 messenger RNA interactions, and a recently proposed kinetic model for interleukin (IL-6 and (IL-12b messenger RNA expression as a function of ATF3 and NF-κB promoter binding. For the first example, the CTLS significantly reduces the errors in the estimation of the Jacobian for the gene network. For the second, the CTLS reduces the errors from the measurements that are corrupted by white noise and the effect of neglected kinetics. For the third, it allows the correct identification, from noisy data, of the negative regulation of (IL-6 and (IL-12b by ATF3. Conclusion The significant improvements in performance demonstrated by the CTLS method under the wide range of conditions tested here, including different levels and types of measurement noise and different numbers of data points, suggests that its application will enable

Constrained Balancing of Two Industrial Rotor Systems: Least Squares and Min-Max Approaches

Directory of Open Access Journals (Sweden)

Bin Huang

2009-01-01

Full Text Available Rotor vibrations caused by rotor mass unbalance distributions are a major source of maintenance problems in high-speed rotating machinery. Minimizing this vibration by balancing under practical constraints is quite important to industry. This paper considers balancing of two large industrial rotor systems by constrained least squares and min-max balancing methods. In current industrial practice, the weighted least squares method has been utilized to minimize rotor vibrations for many years. One of its disadvantages is that it cannot guarantee that the maximum value of vibration is below a specified value. To achieve better balancing performance, the min-max balancing method utilizing the Second Order Cone Programming (SOCP with the maximum correction weight constraint, the maximum residual response constraint as well as the weight splitting constraint has been utilized for effective balancing. The min-max balancing method can guarantee a maximum residual vibration value below an optimum value and is shown by simulation to significantly outperform the weighted least squares method.

Penalized Nonlinear Least Squares Estimation of Time-Varying Parameters in Ordinary Differential Equations

KAUST Repository

Cao, Jiguo; Huang, Jianhua Z.; Wu, Hulin

2012-01-01

Ordinary differential equations (ODEs) are widely used in biomedical research and other scientific areas to model complex dynamic systems. It is an important statistical problem to estimate parameters in ODEs from noisy observations. In this article we propose a method for estimating the time-varying coefficients in an ODE. Our method is a variation of the nonlinear least squares where penalized splines are used to model the functional parameters and the ODE solutions are approximated also using splines. We resort to the implicit function theorem to deal with the nonlinear least squares objective function that is only defined implicitly. The proposed penalized nonlinear least squares method is applied to estimate a HIV dynamic model from a real dataset. Monte Carlo simulations show that the new method can provide much more accurate estimates of functional parameters than the existing two-step local polynomial method which relies on estimation of the derivatives of the state function. Supplemental materials for the article are available online.

Development of a partial least squares-artificial neural network (PLS-ANN) hybrid model for the prediction of consumer liking scores of ready-to-drink green tea beverages.

Science.gov (United States)

Yu, Peigen; Low, Mei Yin; Zhou, Weibiao

2018-01-01

In order to develop products that would be preferred by consumers, the effects of the chemical compositions of ready-to-drink green tea beverages on consumer liking were studied through regression analyses. Green tea model systems were prepared by dosing solutions of 0.1% green tea extract with differing concentrations of eight flavour keys deemed to be important for green tea aroma and taste, based on a D-optimal experimental design, before undergoing commercial sterilisation. Sensory evaluation of the green tea model system was carried out using an untrained consumer panel to obtain hedonic liking scores of the samples. Regression models were subsequently trained to objectively predict the consumer liking scores of the green tea model systems. A linear partial least squares (PLS) regression model was developed to describe the effects of the eight flavour keys on consumer liking, with a coefficient of determination (R 2 ) of 0.733, and a root-mean-square error (RMSE) of 3.53%. The PLS model was further augmented with an artificial neural network (ANN) to establish a PLS-ANN hybrid model. The established hybrid model was found to give a better prediction of consumer liking scores, based on its R 2 (0.875) and RMSE (2.41%). Copyright © 2017 Elsevier Ltd. All rights reserved.

Geodesic least squares regression for scaling studies in magnetic confinement fusion

International Nuclear Information System (INIS)

Verdoolaege, Geert

2015-01-01

In regression analyses for deriving scaling laws that occur in various scientific disciplines, usually standard regression methods have been applied, of which ordinary least squares (OLS) is the most popular. However, concerns have been raised with respect to several assumptions underlying OLS in its application to scaling laws. We here discuss a new regression method that is robust in the presence of significant uncertainty on both the data and the regression model. The method, which we call geodesic least squares regression (GLS), is based on minimization of the Rao geodesic distance on a probabilistic manifold. We demonstrate the superiority of the method using synthetic data and we present an application to the scaling law for the power threshold for the transition to the high confinement regime in magnetic confinement fusion devices

Analysis of a plane stress wave by the moving least squares method

Directory of Open Access Journals (Sweden)

Wojciech Dornowski

2014-08-01

Full Text Available A meshless method based on the moving least squares approximation is applied to stress wave propagation analysis. Two kinds of node meshes, the randomly generated mesh and the regular mesh are used. The nearest neighbours’ problem is developed from a triangulation that satisfies minimum edges length conditions. It is found that this method of neighbours’ choice significantly improves the solution accuracy. The reflection of stress waves from the free edge is modelled using fictitious nodes (outside the plate. The comparison with the finite difference results also demonstrated the accuracy of the proposed approach.[b]Keywords[/b]: civil engineering, meshless method, moving least squares method, elastic waves

Regularized plane-wave least-squares Kirchhoff migration

KAUST Repository

Wang, Xin

2013-09-22

A Kirchhoff least-squares migration (LSM) is developed in the prestack plane-wave domain to increase the quality of migration images. A regularization term is included that accounts for mispositioning of reflectors due to errors in the velocity model. Both synthetic and field results show that: 1) LSM with a reflectivity model common for all the plane-wave gathers provides the best image when the migration velocity model is accurate, but it is more sensitive to the velocity errors, 2) the regularized plane-wave LSM is more robust in the presence of velocity errors, and 3) LSM achieves both computational and IO saving by plane-wave encoding compared to shot-domain LSM for the models tested.

Multiples least-squares reverse time migration

KAUST Repository

Zhang, Dongliang

2013-01-01

To enhance the image quality, we propose multiples least-squares reverse time migration (MLSRTM) that transforms each hydrophone into a virtual point source with a time history equal to that of the recorded data. Since each recorded trace is treated as a virtual source, knowledge of the source wavelet is not required. Numerical tests on synthetic data for the Sigsbee2B model and field data from Gulf of Mexico show that MLSRTM can improve the image quality by removing artifacts, balancing amplitudes, and suppressing crosstalk compared to standard migration of the free-surface multiples. The potential liability of this method is that multiples require several roundtrips between the reflector and the free surface, so that high frequencies in the multiples are attenuated compared to the primary reflections. This can lead to lower resolution in the migration image compared to that computed from primaries.

Penalized linear regression for discrete ill-posed problems: A hybrid least-squares and mean-squared error approach

KAUST Repository

Suliman, Mohamed Abdalla Elhag; Ballal, Tarig; Kammoun, Abla; Al-Naffouri, Tareq Y.

2016-01-01

This paper proposes a new approach to find the regularization parameter for linear least-squares discrete ill-posed problems. In the proposed approach, an artificial perturbation matrix with a bounded norm is forced into the discrete ill-posed model

Application of new least-squares methods for the quantitative infrared analysis of multicomponent samples

International Nuclear Information System (INIS)

Haaland, D.M.; Easterling, R.G.

1982-01-01

Improvements have been made in previous least-squares regression analyses of infrared spectra for the quantitative estimation of concentrations of multicomponent mixtures. Spectral baselines are fitted by least-squares methods, and overlapping spectral features are accounted for in the fitting procedure. Selection of peaks above a threshold value reduces computation time and data storage requirements. Four weighted least-squares methods incorporating different baseline assumptions were investigated using FT-IR spectra of the three pure xylene isomers and their mixtures. By fitting only regions of the spectra that follow Beer's Law, accurate results can be obtained using three of the fitting methods even when baselines are not corrected to zero. Accurate results can also be obtained using one of the fits even in the presence of Beer's Law deviations. This is a consequence of pooling the weighted results for each spectral peak such that the greatest weighting is automatically given to those peaks that adhere to Beer's Law. It has been shown with the xylene spectra that semiquantitative results can be obtained even when all the major components are not known or when expected components are not present. This improvement over previous methods greatly expands the utility of quantitative least-squares analyses

Least squares shadowing sensitivity analysis of a modified Kuramoto–Sivashinsky equation

International Nuclear Information System (INIS)

Blonigan, Patrick J.; Wang, Qiqi

2014-01-01

Highlights: •Modifying the Kuramoto–Sivashinsky equation and changing its boundary conditions make it an ergodic dynamical system. •The modified Kuramoto–Sivashinsky equation exhibits distinct dynamics for three different ranges of system parameters. •Least squares shadowing sensitivity analysis computes accurate gradients for a wide range of system parameters. - Abstract: Computational methods for sensitivity analysis are invaluable tools for scientists and engineers investigating a wide range of physical phenomena. However, many of these methods fail when applied to chaotic systems, such as the Kuramoto–Sivashinsky (K–S) equation, which models a number of different chaotic systems found in nature. The following paper discusses the application of a new sensitivity analysis method developed by the authors to a modified K–S equation. We find that least squares shadowing sensitivity analysis computes accurate gradients for solutions corresponding to a wide range of system parameters

Comparative analysis of targeted metabolomics: dominance-based rough set approach versus orthogonal partial least square-discriminant analysis.

Science.gov (United States)

Blasco, H; Błaszczyński, J; Billaut, J C; Nadal-Desbarats, L; Pradat, P F; Devos, D; Moreau, C; Andres, C R; Emond, P; Corcia, P; Słowiński, R

2015-02-01

Metabolomics is an emerging field that includes ascertaining a metabolic profile from a combination of small molecules, and which has health applications. Metabolomic methods are currently applied to discover diagnostic biomarkers and to identify pathophysiological pathways involved in pathology. However, metabolomic data are complex and are usually analyzed by statistical methods. Although the methods have been widely described, most have not been either standardized or validated. Data analysis is the foundation of a robust methodology, so new mathematical methods need to be developed to assess and complement current methods. We therefore applied, for the first time, the dominance-based rough set approach (DRSA) to metabolomics data; we also assessed the complementarity of this method with standard statistical methods. Some attributes were transformed in a way allowing us to discover global and local monotonic relationships between condition and decision attributes. We used previously published metabolomics data (18 variables) for amyotrophic lateral sclerosis (ALS) and non-ALS patients. Principal Component Analysis (PCA) and Orthogonal Partial Least Square-Discriminant Analysis (OPLS-DA) allowed satisfactory discrimination (72.7%) between ALS and non-ALS patients. Some discriminant metabolites were identified: acetate, acetone, pyruvate and glutamine. The concentrations of acetate and pyruvate were also identified by univariate analysis as significantly different between ALS and non-ALS patients. DRSA correctly classified 68.7% of the cases and established rules involving some of the metabolites highlighted by OPLS-DA (acetate and acetone). Some rules identified potential biomarkers not revealed by OPLS-DA (beta-hydroxybutyrate). We also found a large number of common discriminating metabolites after Bayesian confirmation measures, particularly acetate, pyruvate, acetone and ascorbate, consistent with the pathophysiological pathways involved in ALS. DRSA provides

First-order system least-squares for second-order elliptic problems with discontinuous coefficients: Further results

Energy Technology Data Exchange (ETDEWEB)

Bloechle, B.; Manteuffel, T.; McCormick, S.; Starke, G.

1996-12-31

Many physical phenomena are modeled as scalar second-order elliptic boundary value problems with discontinuous coefficients. The first-order system least-squares (FOSLS) methodology is an alternative to standard mixed finite element methods for such problems. The occurrence of singularities at interface corners and cross-points requires that care be taken when implementing the least-squares finite element method in the FOSLS context. We introduce two methods of handling the challenges resulting from singularities. The first method is based on a weighted least-squares functional and results in non-conforming finite elements. The second method is based on the use of singular basis functions and results in conforming finite elements. We also share numerical results comparing the two approaches.

Investigating the feasibility of using partial least squares as a method of extracting salient information for the evaluation of digital breast tomosynthesis

Science.gov (United States)

Zhang, George Z.; Myers, Kyle J.; Park, Subok

2013-03-01

Digital breast tomosynthesis (DBT) has shown promise for improving the detection of breast cancer, but it has not yet been fully optimized due to a large space of system parameters to explore. A task-based statistical approach1 is a rigorous method for evaluating and optimizing this promising imaging technique with the use of optimal observers such as the Hotelling observer (HO). However, the high data dimensionality found in DBT has been the bottleneck for the use of a task-based approach in DBT evaluation. To reduce data dimensionality while extracting salient information for performing a given task, efficient channels have to be used for the HO. In the past few years, 2D Laguerre-Gauss (LG) channels, which are a complete basis for stationary backgrounds and rotationally symmetric signals, have been utilized for DBT evaluation2, 3 . But since background and signal statistics from DBT data are neither stationary nor rotationally symmetric, LG channels may not be efficient in providing reliable performance trends as a function of system parameters. Recently, partial least squares (PLS) has been shown to generate efficient channels for the Hotelling observer in detection tasks involving random backgrounds and signals.4 In this study, we investigate the use of PLS as a method for extracting salient information from DBT in order to better evaluate such systems.

Feasibility study on the least square method for fitting non-Gaussian noise data

Science.gov (United States)

Xu, Wei; Chen, Wen; Liang, Yingjie

2018-02-01

This study is to investigate the feasibility of least square method in fitting non-Gaussian noise data. We add different levels of the two typical non-Gaussian noises, Lévy and stretched Gaussian noises, to exact value of the selected functions including linear equations, polynomial and exponential equations, and the maximum absolute and the mean square errors are calculated for the different cases. Lévy and stretched Gaussian distributions have many applications in fractional and fractal calculus. It is observed that the non-Gaussian noises are less accurately fitted than the Gaussian noise, but the stretched Gaussian cases appear to perform better than the Lévy noise cases. It is stressed that the least-squares method is inapplicable to the non-Gaussian noise cases when the noise level is larger than 5%.

An Incremental Weighted Least Squares Approach to Surface Lights Fields

Science.gov (United States)

Coombe, Greg; Lastra, Anselmo

An Image-Based Rendering (IBR) approach to appearance modelling enables the capture of a wide variety of real physical surfaces with complex reflectance behaviour. The challenges with this approach are handling the large amount of data, rendering the data efficiently, and previewing the model as it is being constructed. In this paper, we introduce the Incremental Weighted Least Squares approach to the representation and rendering of spatially and directionally varying illumination. Each surface patch consists of a set of Weighted Least Squares (WLS) node centers, which are low-degree polynomial representations of the anisotropic exitant radiance. During rendering, the representations are combined in a non-linear fashion to generate a full reconstruction of the exitant radiance. The rendering algorithm is fast, efficient, and implemented entirely on the GPU. The construction algorithm is incremental, which means that images are processed as they arrive instead of in the traditional batch fashion. This human-in-the-loop process enables the user to preview the model as it is being constructed and to adapt to over-sampling and under-sampling of the surface appearance.

Non-stationary least-squares complex decomposition for microseismic noise attenuation

Science.gov (United States)

Chen, Yangkang

2018-06-01

Microseismic data processing and imaging are crucial for subsurface real-time monitoring during hydraulic fracturing process. Unlike the active-source seismic events or large-scale earthquake events, the microseismic event is usually of very small magnitude, which makes its detection challenging. The biggest trouble of microseismic data is the low signal-to-noise ratio issue. Because of the small energy difference between effective microseismic signal and ambient noise, the effective signals are usually buried in strong random noise. I propose a useful microseismic denoising algorithm that is based on decomposing a microseismic trace into an ensemble of components using least-squares inversion. Based on the predictive property of useful microseismic event along the time direction, the random noise can be filtered out via least-squares fitting of multiple damping exponential components. The method is flexible and almost automated since the only parameter needed to be defined is a decomposition number. I use some synthetic and real data examples to demonstrate the potential of the algorithm in processing complicated microseismic data sets.

A cross-correlation objective function for least-squares migration and visco-acoustic imaging

KAUST Repository

Dutta, Gaurav

2014-08-05

Conventional acoustic least-squares migration inverts for a reflectivity image that best matches the amplitudes of the observed data. However, for field data applications, it is not easy to match the recorded amplitudes because of the visco-elastic nature of the earth and inaccuracies in the estimation of source signature and strength at different shot locations. To relax the requirement for strong amplitude matching of least-squares migration, we use a normalized cross-correlation objective function that is only sensitive to the similarity between the predicted and the observed data. Such a normalized cross-correlation objective function is also equivalent to a time-domain phase inversion method where the main emphasis is only on matching the phase of the data rather than the amplitude. Numerical tests on synthetic and field data show that such an objective function can be used as an alternative to visco-acoustic least-squares reverse time migration (Qp-LSRTM) when there is strong attenuation in the subsurface and the estimation of the attenuation parameter Qp is insufficiently accurate.

A cross-correlation objective function for least-squares migration and visco-acoustic imaging

KAUST Repository

Dutta, Gaurav; Sinha, Mrinal; Schuster, Gerard T.

2014-01-01

Conventional acoustic least-squares migration inverts for a reflectivity image that best matches the amplitudes of the observed data. However, for field data applications, it is not easy to match the recorded amplitudes because of the visco-elastic nature of the earth and inaccuracies in the estimation of source signature and strength at different shot locations. To relax the requirement for strong amplitude matching of least-squares migration, we use a normalized cross-correlation objective function that is only sensitive to the similarity between the predicted and the observed data. Such a normalized cross-correlation objective function is also equivalent to a time-domain phase inversion method where the main emphasis is only on matching the phase of the data rather than the amplitude. Numerical tests on synthetic and field data show that such an objective function can be used as an alternative to visco-acoustic least-squares reverse time migration (Qp-LSRTM) when there is strong attenuation in the subsurface and the estimation of the attenuation parameter Qp is insufficiently accurate.

Skeletonized Least Squares Wave Equation Migration

KAUST Repository

Zhan, Ge

2010-10-17

The theory for skeletonized least squares wave equation migration (LSM) is presented. The key idea is, for an assumed velocity model, the source‐side Green\\'s function and the geophone‐side Green\\'s function are computed by a numerical solution of the wave equation. Only the early‐arrivals of these Green\\'s functions are saved and skeletonized to form the migration Green\\'s function (MGF) by convolution. Then the migration image is obtained by a dot product between the recorded shot gathers and the MGF for every trial image point. The key to an efficient implementation of iterative LSM is that at each conjugate gradient iteration, the MGF is reused and no new finitedifference (FD) simulations are needed to get the updated migration image. It is believed that this procedure combined with phase‐encoded multi‐source technology will allow for the efficient computation of wave equation LSM images in less time than that of conventional reverse time migration (RTM).

Elastic least-squares reverse time migration

KAUST Repository

Feng, Zongcai

2017-03-08

We use elastic least-squares reverse time migration (LSRTM) to invert for the reflectivity images of P- and S-wave impedances. Elastic LSRTMsolves the linearized elastic-wave equations for forward modeling and the adjoint equations for backpropagating the residual wavefield at each iteration. Numerical tests on synthetic data and field data reveal the advantages of elastic LSRTM over elastic reverse time migration (RTM) and acoustic LSRTM. For our examples, the elastic LSRTM images have better resolution and amplitude balancing, fewer artifacts, and less crosstalk compared with the elastic RTM images. The images are also better focused and have better reflector continuity for steeply dipping events compared to the acoustic LSRTM images. Similar to conventional leastsquares migration, elastic LSRTM also requires an accurate estimation of the P- and S-wave migration velocity models. However, the problem remains that, when there are moderate errors in the velocity model and strong multiples, LSRTMwill produce migration noise stronger than that seen in the RTM images.

Elastic least-squares reverse time migration

KAUST Repository

Feng, Zongcai; Schuster, Gerard T.

2017-01-01

We use elastic least-squares reverse time migration (LSRTM) to invert for the reflectivity images of P- and S-wave impedances. Elastic LSRTMsolves the linearized elastic-wave equations for forward modeling and the adjoint equations for backpropagating the residual wavefield at each iteration. Numerical tests on synthetic data and field data reveal the advantages of elastic LSRTM over elastic reverse time migration (RTM) and acoustic LSRTM. For our examples, the elastic LSRTM images have better resolution and amplitude balancing, fewer artifacts, and less crosstalk compared with the elastic RTM images. The images are also better focused and have better reflector continuity for steeply dipping events compared to the acoustic LSRTM images. Similar to conventional leastsquares migration, elastic LSRTM also requires an accurate estimation of the P- and S-wave migration velocity models. However, the problem remains that, when there are moderate errors in the velocity model and strong multiples, LSRTMwill produce migration noise stronger than that seen in the RTM images.

Analysis of total least squares in estimating the parameters of a mortar trajectory

Energy Technology Data Exchange (ETDEWEB)

Lau, D.L.; Ng, L.C.

1994-12-01

Least Squares (LS) is a method of curve fitting used with the assumption that error exists in the observation vector. The method of Total Least Squares (TLS) is more useful in cases where there is error in the data matrix as well as the observation vector. This paper describes work done in comparing the LS and TLS results for parameter estimation of a mortar trajectory based on a time series of angular observations. To improve the results, we investigated several derivations of the LS and TLS methods, and early findings show TLS provided slightly, 10%, improved results over the LS method.

Time-Series INSAR: An Integer Least-Squares Approach For Distributed Scatterers

Science.gov (United States)

Samiei-Esfahany, Sami; Hanssen, Ramon F.

2012-01-01

The objective of this research is to extend the geode- tic mathematical model which was developed for persistent scatterers to a model which can exploit distributed scatterers (DS). The main focus is on the integer least- squares framework, and the main challenge is to include the decorrelation effect in the mathematical model. In order to adapt the integer least-squares mathematical model for DS we altered the model from a single master to a multi-master configuration and introduced the decorrelation effect stochastically. This effect is described in our model by a full covariance matrix. We propose to de- rive this covariance matrix by numerical integration of the (joint) probability distribution function (PDF) of interferometric phases. This PDF is a function of coherence values and can be directly computed from radar data. We show that the use of this model can improve the performance of temporal phase unwrapping of distributed scatterers.

Pressurized water reactor monitoring. Study of detection, diagnostic and estimation (least squares and filtering) methods

International Nuclear Information System (INIS)

Gillet, M.

1986-07-01

This thesis presents a study for the surveillance of the Primary circuit water inventory of a pressurized water reactor. A reference model is developed for the development of an automatic system ensuring detection and real-time diagnostic. The methods to our application are statistical tests and adapted a pattern recognition method. The estimation of the detected anomalies is treated by the least square fit method, and by filtering. A new projected optimization method with superlinear convergence is developed in this framework, and a segmented linearization of the model is introduced, in view of a multiple filtering. 46 refs [fr

Adaptive Noise Canceling Menggunakan Algoritma Least Mean Square (Lms)

OpenAIRE

Nardiana, Anita; Sumaryono, Sari Sujoko

2011-01-01

Noise is inevitable in communication system. In some cases, noise can disturb signal. It is veryannoying as the received signal is jumbled with the noise itself. To reduce or remove noise, filter lowpass,highpass or bandpass can solve the problems, but this method cannot reach a maximum standard. One ofthe alternatives to solve the problem is by using adaptive filter. Adaptive algorithm frequently used is LeastMean Square (LMS) Algorithm which is compatible to Finite Impulse Response (FIR). T...

A least-squares minimisation approach to depth determination from numerical second horizontal self-potential anomalies

Science.gov (United States)

Abdelrahman, El-Sayed Mohamed; Soliman, Khalid; Essa, Khalid Sayed; Abo-Ezz, Eid Ragab; El-Araby, Tarek Mohamed

2009-06-01

This paper develops a least-squares minimisation approach to determine the depth of a buried structure from numerical second horizontal derivative anomalies obtained from self-potential (SP) data using filters of successive window lengths. The method is based on using a relationship between the depth and a combination of observations at symmetric points with respect to the coordinate of the projection of the centre of the source in the plane of the measurement points with a free parameter (graticule spacing). The problem of depth determination from second derivative SP anomalies has been transformed into the problem of finding a solution to a non-linear equation of the form f(z)=0. Formulas have been derived for horizontal cylinders, spheres, and vertical cylinders. Procedures are also formulated to determine the electric dipole moment and the polarization angle. The proposed method was tested on synthetic noisy and real SP data. In the case of the synthetic data, the least-squares method determined the correct depths of the sources. In the case of practical data (SP anomalies over a sulfide ore deposit, Sariyer, Turkey and over a Malachite Mine, Jefferson County, Colorado, USA), the estimated depths of the buried structures are in good agreement with the results obtained from drilling and surface geology.

The consistency of ordinary least-squares and generalized least-squares polynomial regression on characterizing the mechanomyographic amplitude versus torque relationship

International Nuclear Information System (INIS)

Herda, Trent J; Ryan, Eric D; Costa, Pablo B; DeFreitas, Jason M; Walter, Ashley A; Stout, Jeffrey R; Beck, Travis W; Cramer, Joel T; Housh, Terry J; Weir, Joseph P

2009-01-01

The primary purpose of this study was to examine the consistency of ordinary least-squares (OLS) and generalized least-squares (GLS) polynomial regression analyses utilizing linear, quadratic and cubic models on either five or ten data points that characterize the mechanomyographic amplitude (MMG RMS ) versus isometric torque relationship. The secondary purpose was to examine the consistency of OLS and GLS polynomial regression utilizing only linear and quadratic models (excluding cubic responses) on either ten or five data points. Eighteen participants (mean ± SD age = 24 ± 4 yr) completed ten randomly ordered isometric step muscle actions from 5% to 95% of the maximal voluntary contraction (MVC) of the right leg extensors during three separate trials. MMG RMS was recorded from the vastus lateralis during the MVCs and each submaximal muscle action. MMG RMS versus torque relationships were analyzed on a subject-by-subject basis using OLS and GLS polynomial regression. When using ten data points, only 33% and 27% of the subjects were fitted with the same model (utilizing linear, quadratic and cubic models) across all three trials for OLS and GLS, respectively. After eliminating the cubic model, there was an increase to 55% of the subjects being fitted with the same model across all trials for both OLS and GLS regression. Using only five data points (instead of ten data points), 55% of the subjects were fitted with the same model across all trials for OLS and GLS regression. Overall, OLS and GLS polynomial regression models were only able to consistently describe the torque-related patterns of response for MMG RMS in 27–55% of the subjects across three trials. Future studies should examine alternative methods for improving the consistency and reliability of the patterns of response for the MMG RMS versus isometric torque relationship

Precision PEP-II optics measurement with an SVD-enhanced Least-Square fitting

Science.gov (United States)

Yan, Y. T.; Cai, Y.

2006-03-01

A singular value decomposition (SVD)-enhanced Least-Square fitting technique is discussed. By automatic identifying, ordering, and selecting dominant SVD modes of the derivative matrix that responds to the variations of the variables, the converging process of the Least-Square fitting is significantly enhanced. Thus the fitting speed can be fast enough for a fairly large system. This technique has been successfully applied to precision PEP-II optics measurement in which we determine all quadrupole strengths (both normal and skew components) and sextupole feed-downs as well as all BPM gains and BPM cross-plane couplings through Least-Square fitting of the phase advances and the Local Green's functions as well as the coupling ellipses among BPMs. The local Green's functions are specified by 4 local transfer matrix components R12, R34, R32, R14. These measurable quantities (the Green's functions, the phase advances and the coupling ellipse tilt angles and axis ratios) are obtained by analyzing turn-by-turn Beam Position Monitor (BPM) data with a high-resolution model-independent analysis (MIA). Once all of the quadrupoles and sextupole feed-downs are determined, we obtain a computer virtual accelerator which matches the real accelerator in linear optics. Thus, beta functions, linear coupling parameters, and interaction point (IP) optics characteristics can be measured and displayed.

An Inverse Function Least Square Fitting Approach of the Buildup Factor for Radiation Shielding Analysis

Energy Technology Data Exchange (ETDEWEB)

Park, Chang Je [Sejong Univ., Seoul (Korea, Republic of); Alkhatee, Sari; Roh, Gyuhong; Lee, Byungchul [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2014-05-15

Dose absorption and energy absorption buildup factors are widely used in the shielding analysis. The dose rate of the medium is main concern in the dose buildup factor, however energy absorption is an important parameter in the energy buildup factors. ANSI/ANS-6.4.3-1991 standard data is widely used based on interpolation and extrapolation by means of an approximation method. Recently, Yoshida's geometric progression (GP) formulae are also popular and it is already implemented in QAD code. In the QAD code, two buildup factors are notated as DOSE for standard air exposure response and ENG for the response of the energy absorbed in the material itself. In this paper, a new least square fitting method is suggested to obtain a reliable buildup factors proposed since 1991. Total 4 datasets of air exposure buildup factors are used for evaluation including ANSI/ANS-6.4.3-1991, Taylor, Berger, and GP data. The standard deviation of the fitted data are analyzed based on the results. A new reverse least square fitting method is proposed in this study in order to reduce the fitting uncertainties. It adapts an inverse function rather than the original function by the distribution slope of dataset. Some quantitative comparisons are provided for concrete and lead in this paper, too. This study is focused on the least square fitting of existing buildup factors to be utilized in the point-kernel code for radiation shielding analysis. The inverse least square fitting method is suggested to obtain more reliable results of concave shaped dataset such as concrete. In the concrete case, the variance and residue are decreased significantly, too. However, the convex shaped case of lead can be applied to the usual least square fitting method. In the future, more datasets will be tested by using the least square fitting. And the fitted data could be implemented to the existing point-kernel codes.

Gauss’s, Cholesky’s and Banachiewicz’s Contributions to Least Squares

DEFF Research Database (Denmark)

Gustavson, Fred G.; Wasniewski, Jerzy

This paper describes historically Gauss’s contributions to the area of Least Squares. Also mentioned are Cholesky’s and Banachiewicz’s contributions to linear algebra. The material given is backup information to a Tutorial given at PPAM 2011 to honor Cholesky on the hundred anniversary of his...

Seismic time-lapse imaging using Interferometric least-squares migration

KAUST Repository

Sinha, Mrinal

2016-09-06

One of the problems with 4D surveys is that the environmental conditions change over time so that the experiment is insufficiently repeatable. To mitigate this problem, we propose the use of interferometric least-squares migration (ILSM) to estimate the migration image for the baseline and monitor surveys. Here, a known reflector is used as the reference reflector for ILSM. Results with synthetic and field data show that ILSM can eliminate artifacts caused by non-repeatability in time-lapse surveys.

Seismic time-lapse imaging using Interferometric least-squares migration

KAUST Repository

Sinha, Mrinal; Schuster, Gerard T.

2016-01-01

One of the problems with 4D surveys is that the environmental conditions change over time so that the experiment is insufficiently repeatable. To mitigate this problem, we propose the use of interferometric least-squares migration (ILSM) to estimate the migration image for the baseline and monitor surveys. Here, a known reflector is used as the reference reflector for ILSM. Results with synthetic and field data show that ILSM can eliminate artifacts caused by non-repeatability in time-lapse surveys.

Multivariat least-squares methods applied to the quantitative spectral analysis of multicomponent samples

International Nuclear Information System (INIS)

Haaland, D.M.; Easterling, R.G.; Vopicka, D.A.

1985-01-01

In an extension of earlier work, weighted multivariate least-squares methods of quantitative FT-IR analysis have been developed. A linear least-squares approximation to nonlinearities in the Beer-Lambert law is made by allowing the reference spectra to be a set of known mixtures, The incorporation of nonzero intercepts in the relation between absorbance and concentration further improves the approximation of nonlinearities while simultaneously accounting for nonzero spectra baselines. Pathlength variations are also accommodated in the analysis, and under certain conditions, unknown sample pathlengths can be determined. All spectral data are used to improve the precision and accuracy of the estimated concentrations. During the calibration phase of the analysis, pure component spectra are estimated from the standard mixture spectra. These can be compared with the measured pure component spectra to determine which vibrations experience nonlinear behavior. In the predictive phase of the analysis, the calculated spectra are used in our previous least-squares analysis to estimate sample component concentrations. These methods were applied to the analysis of the IR spectra of binary mixtures of esters. Even with severely overlapping spectral bands and nonlinearities in the Beer-Lambert law, the average relative error in the estimated concentration was <1%

Quantitative determination of polyphosphate in sediments using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy and partial least squares regression.

Science.gov (United States)

Khoshmanesh, Aazam; Cook, Perran L M; Wood, Bayden R

2012-08-21

Phosphorus (P) is a major cause of eutrophication and subsequent loss of water quality in freshwater ecosystems. A major part of the flux of P to eutrophic lake sediments is organically bound or of biogenic origin. Despite the broad relevance of polyphosphate (Poly-P) in bioremediation and P release processes in the environment, its quantification is not yet well developed for sediment samples. Current methods possess significant disadvantages because of the difficulties associated with using a single extractant to extract a specific P compound without altering others. A fast and reliable method to estimate the quantitative contribution of microorganisms to sediment P release processes is needed, especially when an excessive P accumulation in the form of polyphosphate (Poly-P) occurs. Development of novel approaches for application of emerging spectroscopic techniques to complex environmental matrices such as sediments significantly contributes to the speciation models of P mobilization, biogeochemical nutrient cycling and development of nutrient models. In this study, for the first time Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy in combination with partial least squares (PLS) was used to quantify Poly-P in sediments. To reduce the high absorption matrix components in sediments such as silica, a physical extraction method was developed to separate sediment biological materials from abiotic particles. The aim was to achieve optimal separation of the biological materials from sediment abiotic particles with minimum chemical change in the sample matrix prior to ATR-FTIR analysis. Using a calibration set of 60 samples for the PLS prediction models in the Poly-P concentration range of 0-1 mg g(-1) d.w. (dry weight of sediment) (R(2) = 0.984 and root mean square error of prediction RMSEP = 0.041 at Factor-1) Poly-P could be detected at less than 50 μg g(-l) d.w. Using this technique, there is no solvent extraction or chemical

Comparison of partial least squares and lasso regression techniques as applied to laser-induced breakdown spectroscopy of geological samples

International Nuclear Information System (INIS)

Dyar, M.D.; Carmosino, M.L.; Breves, E.A.; Ozanne, M.V.; Clegg, S.M.; Wiens, R.C.

2012-01-01

A remote laser-induced breakdown spectrometer (LIBS) designed to simulate the ChemCam instrument on the Mars Science Laboratory Rover Curiosity was used to probe 100 geologic samples at a 9-m standoff distance. ChemCam consists of an integrated remote LIBS instrument that will probe samples up to 7 m from the mast of the rover and a remote micro-imager (RMI) that will record context images. The elemental compositions of 100 igneous and highly-metamorphosed rocks are determined with LIBS using three variations of multivariate analysis, with a goal of improving the analytical accuracy. Two forms of partial least squares (PLS) regression are employed with finely-tuned parameters: PLS-1 regresses a single response variable (elemental concentration) against the observation variables (spectra, or intensity at each of 6144 spectrometer channels), while PLS-2 simultaneously regresses multiple response variables (concentrations of the ten major elements in rocks) against the observation predictor variables, taking advantage of natural correlations between elements. Those results are contrasted with those from the multivariate regression technique of the least absolute shrinkage and selection operator (lasso), which is a penalized shrunken regression method that selects the specific channels for each element that explain the most variance in the concentration of that element. To make this comparison, we use results of cross-validation and of held-out testing, and employ unscaled and uncentered spectral intensity data because all of the input variables are already in the same units. Results demonstrate that the lasso, PLS-1, and PLS-2 all yield comparable results in terms of accuracy for this dataset. However, the interpretability of these methods differs greatly in terms of fundamental understanding of LIBS emissions. PLS techniques generate principal components, linear combinations of intensities at any number of spectrometer channels, which explain as much variance in the

Block Least Mean Squares Algorithm over Distributed Wireless Sensor Network

Directory of Open Access Journals (Sweden)

T. Panigrahi

2012-01-01

Full Text Available In a distributed parameter estimation problem, during each sampling instant, a typical sensor node communicates its estimate either by the diffusion algorithm or by the incremental algorithm. Both these conventional distributed algorithms involve significant communication overheads and, consequently, defeat the basic purpose of wireless sensor networks. In the present paper, we therefore propose two new distributed algorithms, namely, block diffusion least mean square (BDLMS and block incremental least mean square (BILMS by extending the concept of block adaptive filtering techniques to the distributed adaptation scenario. The performance analysis of the proposed BDLMS and BILMS algorithms has been carried out and found to have similar performances to those offered by conventional diffusion LMS and incremental LMS algorithms, respectively. The convergence analyses of the proposed algorithms obtained from the simulation study are also found to be in agreement with the theoretical analysis. The remarkable and interesting aspect of the proposed block-based algorithms is that their communication overheads per node and latencies are less than those of the conventional algorithms by a factor as high as the block size used in the algorithms.

Linear least squares compartmental-model-independent parameter identification in PET

International Nuclear Information System (INIS)

Thie, J.A.; Smith, G.T.; Hubner, K.F.

1997-01-01

A simplified approach involving linear-regression straight-line parameter fitting of dynamic scan data is developed for both specific and nonspecific models. Where compartmental-model topologies apply, the measured activity may be expressed in terms of: its integrals, plasma activity and plasma integrals -- all in a linear expression with macroparameters as coefficients. Multiple linear regression, as in spreadsheet software, determines parameters for best data fits. Positron emission tomography (PET)-acquired gray-matter images in a dynamic scan are analyzed: both by this method and by traditional iterative nonlinear least squares. Both patient and simulated data were used. Regression and traditional methods are in expected agreement. Monte-Carlo simulations evaluate parameter standard deviations, due to data noise, and much smaller noise-induced biases. Unique straight-line graphical displays permit visualizing data influences on various macroparameters as changes in slopes. Advantages of regression fitting are: simplicity, speed, ease of implementation in spreadsheet software, avoiding risks of convergence failures or false solutions in iterative least squares, and providing various visualizations of the uptake process by straight line graphical displays. Multiparameter model-independent analyses on lesser understood systems is also made possible

Partial Least Squares Strukturgleichungsmodellierung (PLS-SEM)

DEFF Research Database (Denmark)

Hair, Joseph F.; Hult, G. Tomas M.; Ringle, Christian M.

(PLS-SEM) hat sich in der wirtschafts- und sozialwissenschaftlichen Forschung als geeignetes Verfahren zur Schätzung von Kausalmodellen behauptet. Dank der Anwenderfreundlichkeit des Verfahrens und der vorhandenen Software ist es inzwischen auch in der Praxis etabliert. Dieses Buch liefert eine...... anwendungsorientierte Einführung in die PLS-SEM. Der Fokus liegt auf den Grundlagen des Verfahrens und deren praktischer Umsetzung mit Hilfe der SmartPLS-Software. Das Konzept des Buches setzt dabei auf einfache Erläuterungen statistischer Ansätze und die anschauliche Darstellung zahlreicher Anwendungsbeispiele anhand...... einer einheitlichen Fallstudie. Viele Grafiken, Tabellen und Illustrationen erleichtern das Verständnis der PLS-SEM. Zudem werden dem Leser herunterladbare Datensätze, Aufgaben und weitere Fachartikel zur Vertiefung angeboten. Damit eignet sich das Buch hervorragend für Studierende, Forscher und...

Positive Scattering Cross Sections using Constrained Least Squares

International Nuclear Information System (INIS)

Dahl, J.A.; Ganapol, B.D.; Morel, J.E.

1999-01-01

A method which creates a positive Legendre expansion from truncated Legendre cross section libraries is presented. The cross section moments of order two and greater are modified by a constrained least squares algorithm, subject to the constraints that the zeroth and first moments remain constant, and that the standard discrete ordinate scattering matrix is positive. A method using the maximum entropy representation of the cross section which reduces the error of these modified moments is also presented. These methods are implemented in PARTISN, and numerical results from a transport calculation using highly anisotropic scattering cross sections with the exponential discontinuous spatial scheme is presented

Near-infrared Raman spectroscopy to detect anti-Toxoplasma gondii antibody in blood sera of domestic cats: quantitative analysis based on partial least-squares multivariate statistics

Science.gov (United States)

Duarte, Janaína; Pacheco, Marcos T. T.; Villaverde, Antonio Balbin; Machado, Rosangela Z.; Zângaro, Renato A.; Silveira, Landulfo

2010-07-01

Toxoplasmosis is an important zoonosis in public health because domestic cats are the main agents responsible for the transmission of this disease in Brazil. We investigate a method for diagnosing toxoplasmosis based on Raman spectroscopy. Dispersive near-infrared Raman spectra are used to quantify anti-Toxoplasma gondii (IgG) antibodies in blood sera from domestic cats. An 830-nm laser is used for sample excitation, and a dispersive spectrometer is used to detect the Raman scattering. A serological test is performed in all serum samples by the enzyme-linked immunosorbent assay (ELISA) for validation. Raman spectra are taken from 59 blood serum samples and a quantification model is implemented based on partial least squares (PLS) to quantify the sample's serology by Raman spectra compared to the results provided by the ELISA test. Based on the serological values provided by the Raman/PLS model, diagnostic parameters such as sensitivity, specificity, accuracy, positive prediction values, and negative prediction values are calculated to discriminate negative from positive samples, obtaining 100, 80, 90, 83.3, and 100%, respectively. Raman spectroscopy, associated with the PLS, is promising as a serological assay for toxoplasmosis, enabling fast and sensitive diagnosis.

Least-squares reverse time migration of marine data with frequency-selection encoding

KAUST Repository

Dai, Wei; Huang, Yunsong; Schuster, Gerard T.

2013-01-01

The phase-encoding technique can sometimes increase the efficiency of the least-squares reverse time migration (LSRTM) by more than one order of magnitude. However, traditional random encoding functions require all the encoded shots to share

On the use of a penalized least squares method to process kinematic full-field measurements

International Nuclear Information System (INIS)

Moulart, Raphaël; Rotinat, René

2014-01-01

This work is aimed at exploring the performances of an alternative procedure to smooth and differentiate full-field displacement measurements. After recalling the strategies currently used by the experimental mechanics community, a short overview of the available smoothing algorithms is drawn up and the requirements that such an algorithm has to fulfil to be applicable to process kinematic measurements are listed. A comparative study of the chosen algorithm is performed including the 2D penalized least squares method and two other commonly implemented strategies. The results obtained by penalized least squares are comparable in terms of quality to those produced by the two other algorithms, while the penalized least squares method appears to be the fastest and the most flexible. Unlike both the other considered methods, it is possible with penalized least squares to automatically choose the parameter governing the amount of smoothing to apply. Unfortunately, it appears that this automation is not suitable for the proposed application since it does not lead to optimal strain maps. Finally, it is possible with this technique to perform the derivation to obtain strain maps before smoothing them (while the smoothing is normally applied to displacement maps before the differentiation), which can lead in some cases to a more effective reconstruction of the strain fields. (paper)

Enhanced least squares Monte Carlo method for real-time decision optimizations for evolving natural hazards

DEFF Research Database (Denmark)

Anders, Annett; Nishijima, Kazuyoshi

The present paper aims at enhancing a solution approach proposed by Anders & Nishijima (2011) to real-time decision problems in civil engineering. The approach takes basis in the Least Squares Monte Carlo method (LSM) originally proposed by Longstaff & Schwartz (2001) for computing American option...... prices. In Anders & Nishijima (2011) the LSM is adapted for a real-time operational decision problem; however it is found that further improvement is required in regard to the computational efficiency, in order to facilitate it for practice. This is the focus in the present paper. The idea behind...... the improvement of the computational efficiency is to “best utilize” the least squares method; i.e. least squares method is applied for estimating the expected utility for terminal decisions, conditional on realizations of underlying random phenomena at respective times in a parametric way. The implementation...

Least Squares Inference on Integrated Volatility and the Relationship between Efficient Prices and Noise

DEFF Research Database (Denmark)

Nolte, Ingmar; Voev, Valeri

The expected value of sums of squared intraday returns (realized variance) gives rise to a least squares regression which adapts itself to the assumptions of the noise process and allows for a joint inference on integrated volatility (IV), noise moments and price-noise relations. In the iid noise...

Preprocessing in Matlab Inconsistent Linear System for a Meaningful Least Squares Solution

Science.gov (United States)

Sen, Symal K.; Shaykhian, Gholam Ali

2011-01-01

Mathematical models of many physical/statistical problems are systems of linear equations Due to measurement and possible human errors/mistakes in modeling/data, as well as due to certain assumptions to reduce complexity, inconsistency (contradiction) is injected into the model, viz. the linear system. While any inconsistent system irrespective of the degree of inconsistency has always a least-squares solution, one needs to check whether an equation is too much inconsistent or, equivalently too much contradictory. Such an equation will affect/distort the least-squares solution to such an extent that renders it unacceptable/unfit to be used in a real-world application. We propose an algorithm which (i) prunes numerically redundant linear equations from the system as these do not add any new information to the model, (ii) detects contradictory linear equations along with their degree of contradiction (inconsistency index), (iii) removes those equations presumed to be too contradictory, and then (iv) obtain the . minimum norm least-squares solution of the acceptably inconsistent reduced linear system. The algorithm presented in Matlab reduces the computational and storage complexities and also improves the accuracy of the solution. It also provides the necessary warning about the existence of too much contradiction in the model. In addition, we suggest a thorough relook into the mathematical modeling to determine the reason why unacceptable contradiction has occurred thus prompting us to make necessary corrections/modifications to the models - both mathematical and, if necessary, physical.

A least squares calculational method: application to e±-H elastic scattering

International Nuclear Information System (INIS)

Das, J.N.; Chakraborty, S.

1989-01-01

The least squares calcualtional method proposed by Das has been applied for the e ± -H elastic scattering problems for intermediate energies. Some important conclusions are made on the basis of the calculation. (author). 7 refs ., 2 tabs

Multisource Least-squares Reverse Time Migration

KAUST Repository

Dai, Wei

2012-12-01

Least-squares migration has been shown to be able to produce high quality migration images, but its computational cost is considered to be too high for practical imaging. In this dissertation, a multisource least-squares reverse time migration algorithm (LSRTM) is proposed to increase by up to 10 times the computational efficiency by utilizing the blended sources processing technique. There are three main chapters in this dissertation. In Chapter 2, the multisource LSRTM algorithm is implemented with random time-shift and random source polarity encoding functions. Numerical tests on the 2D HESS VTI data show that the multisource LSRTM algorithm suppresses migration artifacts, balances the amplitudes, improves image resolution, and reduces crosstalk noise associated with the blended shot gathers. For this example, multisource LSRTM is about three times faster than the conventional RTM method. For the 3D example of the SEG/EAGE salt model, with comparable computational cost, multisource LSRTM produces images with more accurate amplitudes, better spatial resolution, and fewer migration artifacts compared to conventional RTM. The empirical results suggest that the multisource LSRTM can produce more accurate reflectivity images than conventional RTM does with similar or less computational cost. The caveat is that LSRTM image is sensitive to large errors in the migration velocity model. In Chapter 3, the multisource LSRTM algorithm is implemented with frequency selection encoding strategy and applied to marine streamer data, for which traditional random encoding functions are not applicable. The frequency-selection encoding functions are delta functions in the frequency domain, so that all the encoded shots have unique non-overlapping frequency content. Therefore, the receivers can distinguish the wavefield from each shot according to the frequencies. With the frequency-selection encoding method, the computational efficiency of LSRTM is increased so that its cost is

Ordinary Least Squares and Quantile Regression: An Inquiry-Based Learning Approach to a Comparison of Regression Methods

Science.gov (United States)

Helmreich, James E.; Krog, K. Peter

2018-01-01

We present a short, inquiry-based learning course on concepts and methods underlying ordinary least squares (OLS), least absolute deviation (LAD), and quantile regression (QR). Students investigate squared, absolute, and weighted absolute distance functions (metrics) as location measures. Using differential calculus and properties of convex…

A new finite element formulation for CFD:VIII. The Galerkin/least-squares method for advective-diffusive equations

International Nuclear Information System (INIS)

Hughes, T.J.R.; Hulbert, G.M.; Franca, L.P.

1988-10-01

Galerkin/least-squares finite element methods are presented for advective-diffusive equations. Galerkin/least-squares represents a conceptual simplification of SUPG, and is in fact applicable to a wide variety of other problem types. A convergence analysis and error estimates are presented. (author) [pt

Decision-making in healthcare: a practical application of partial least square path modelling to coverage of newborn screening programmes.

Science.gov (United States)

Fischer, Katharina E

2012-08-02

Decision-making in healthcare is complex. Research on coverage decision-making has focused on comparative studies for several countries, statistical analyses for single decision-makers, the decision outcome and appraisal criteria. Accounting for decision processes extends the complexity, as they are multidimensional and process elements need to be regarded as latent constructs (composites) that are not observed directly. The objective of this study was to present a practical application of partial least square path modelling (PLS-PM) to evaluate how it offers a method for empirical analysis of decision-making in healthcare. Empirical approaches that applied PLS-PM to decision-making in healthcare were identified through a systematic literature search. PLS-PM was used as an estimation technique for a structural equation model that specified hypotheses between the components of decision processes and the reasonableness of decision-making in terms of medical, economic and other ethical criteria. The model was estimated for a sample of 55 coverage decisions on the extension of newborn screening programmes in Europe. Results were evaluated by standard reliability and validity measures for PLS-PM. After modification by dropping two indicators that showed poor measures in the measurement models' quality assessment and were not meaningful for newborn screening, the structural equation model estimation produced plausible results. The presence of three influences was supported: the links between both stakeholder participation or transparency and the reasonableness of decision-making; and the effect of transparency on the degree of scientific rigour of assessment. Reliable and valid measurement models were obtained to describe the composites of 'transparency', 'participation', 'scientific rigour' and 'reasonableness'. The structural equation model was among the first applications of PLS-PM to coverage decision-making. It allowed testing of hypotheses in situations where there

A Monte Carlo Investigation of the Box-Cox Model and a Nonlinear Least Squares Alternative.

OpenAIRE

Showalter, Mark H

1994-01-01

This paper reports a Monte Carlo study of the Box-Cox model and a nonlinear least squares alternative. Key results include the following: the transformation parameter in the Box-Cox model appears to be inconsistently estimated in the presence of conditional heteroskedasticity; the constant term in both the Box-Cox and the nonlinear least squares models is poorly estimated in small samples; conditional mean forecasts tend to underestimate their true value in the Box-Cox model when the transfor...

A rigid-body least-squares program with angular and translation scan facilities

CERN Document Server

Kutschabsky, L

1981-01-01

The described computer program, written in CERN Fortran, is designed to enlarge the convergence radius of the rigid-body least-squares method by allowing a stepwise change of the angular and/or translational parameters within a chosen range. (6 refs).

Harmonic tidal analysis at a few stations using the least squares method

Digital Repository Service at National Institute of Oceanography (India)

Fernandes, A.A.; Das, V.K.; Bahulayan, N.

Using the least squares method, harmonic analysis has been performed on hourly water level records of 29 days at several stations depicting different types of non-tidal noise. For a tidal record at Mormugao, which was free from storm surges (low...

A high order compact least-squares reconstructed discontinuous Galerkin method for the steady-state compressible flows on hybrid grids

Science.gov (United States)

Cheng, Jian; Zhang, Fan; Liu, Tiegang

2018-06-01

In this paper, a class of new high order reconstructed DG (rDG) methods based on the compact least-squares (CLS) reconstruction [23,24] is developed for simulating the two dimensional steady-state compressible flows on hybrid grids. The proposed method combines the advantages of the DG discretization with the flexibility of the compact least-squares reconstruction, which exhibits its superior potential in enhancing the level of accuracy and reducing the computational cost compared to the underlying DG methods with respect to the same number of degrees of freedom. To be specific, a third-order compact least-squares rDG(p1p2) method and a fourth-order compact least-squares rDG(p2p3) method are developed and investigated in this work. In this compact least-squares rDG method, the low order degrees of freedom are evolved through the underlying DG(p1) method and DG(p2) method, respectively, while the high order degrees of freedom are reconstructed through the compact least-squares reconstruction, in which the constitutive relations are built by requiring the reconstructed polynomial and its spatial derivatives on the target cell to conserve the cell averages and the corresponding spatial derivatives on the face-neighboring cells. The large sparse linear system resulted by the compact least-squares reconstruction can be solved relatively efficient when it is coupled with the temporal discretization in the steady-state simulations. A number of test cases are presented to assess the performance of the high order compact least-squares rDG methods, which demonstrates their potential to be an alternative approach for the high order numerical simulations of steady-state compressible flows.

Time-domain least-squares migration using the Gaussian beam summation method

Science.gov (United States)

Yang, Jidong; Zhu, Hejun; McMechan, George; Yue, Yubo

2018-04-01

With a finite recording aperture, a limited source spectrum and unbalanced illumination, traditional imaging methods are insufficient to generate satisfactory depth profiles with high resolution and high amplitude fidelity. This is because traditional migration uses the adjoint operator of the forward modeling rather than the inverse operator. We propose a least-squares migration approach based on the time-domain Gaussian beam summation, which helps to balance subsurface illumination and improve image resolution. Based on the Born approximation for the isotropic acoustic wave equation, we derive a linear time-domain Gaussian beam modeling operator, which significantly reduces computational costs in comparison with the spectral method. Then, we formulate the corresponding adjoint Gaussian beam migration, as the gradient of an L2-norm waveform misfit function. An L1-norm regularization is introduced to the inversion to enhance the robustness of least-squares migration, and an approximated diagonal Hessian is used as a preconditioner to speed convergence. Synthetic and field data examples demonstrate that the proposed approach improves imaging resolution and amplitude fidelity in comparison with traditional Gaussian beam migration.

Robust analysis of trends in noisy tokamak confinement data using geodesic least squares regression

Energy Technology Data Exchange (ETDEWEB)

Verdoolaege, G., E-mail: geert.verdoolaege@ugent.be [Department of Applied Physics, Ghent University, B-9000 Ghent (Belgium); Laboratory for Plasma Physics, Royal Military Academy, B-1000 Brussels (Belgium); Shabbir, A. [Department of Applied Physics, Ghent University, B-9000 Ghent (Belgium); Max Planck Institute for Plasma Physics, Boltzmannstr. 2, 85748 Garching (Germany); Hornung, G. [Department of Applied Physics, Ghent University, B-9000 Ghent (Belgium)

2016-11-15

Regression analysis is a very common activity in fusion science for unveiling trends and parametric dependencies, but it can be a difficult matter. We have recently developed the method of geodesic least squares (GLS) regression that is able to handle errors in all variables, is robust against data outliers and uncertainty in the regression model, and can be used with arbitrary distribution models and regression functions. We here report on first results of application of GLS to estimation of the multi-machine scaling law for the energy confinement time in tokamaks, demonstrating improved consistency of the GLS results compared to standard least squares.

A Hybrid Least Square Support Vector Machine Model with Parameters Optimization for Stock Forecasting

Directory of Open Access Journals (Sweden)

Jian Chai

2015-01-01

Full Text Available This paper proposes an EMD-LSSVM (empirical mode decomposition least squares support vector machine model to analyze the CSI 300 index. A WD-LSSVM (wavelet denoising least squares support machine is also proposed as a benchmark to compare with the performance of EMD-LSSVM. Since parameters selection is vital to the performance of the model, different optimization methods are used, including simplex, GS (grid search, PSO (particle swarm optimization, and GA (genetic algorithm. Experimental results show that the EMD-LSSVM model with GS algorithm outperforms other methods in predicting stock market movement direction.

Updating QR factorization procedure for solution of linear least squares problem with equality constraints.

Science.gov (United States)

Zeb, Salman; Yousaf, Muhammad

2017-01-01

In this article, we present a QR updating procedure as a solution approach for linear least squares problem with equality constraints. We reduce the constrained problem to unconstrained linear least squares and partition it into a small subproblem. The QR factorization of the subproblem is calculated and then we apply updating techniques to its upper triangular factor R to obtain its solution. We carry out the error analysis of the proposed algorithm to show that it is backward stable. We also illustrate the implementation and accuracy of the proposed algorithm by providing some numerical experiments with particular emphasis on dense problems.

Least square regularized regression in sum space.

Science.gov (United States)

Xu, Yong-Li; Chen, Di-Rong; Li, Han-Xiong; Liu, Lu

2013-04-01

This paper proposes a least square regularized regression algorithm in sum space of reproducing kernel Hilbert spaces (RKHSs) for nonflat function approximation, and obtains the solution of the algorithm by solving a system of linear equations. This algorithm can approximate the low- and high-frequency component of the target function with large and small scale kernels, respectively. The convergence and learning rate are analyzed. We measure the complexity of the sum space by its covering number and demonstrate that the covering number can be bounded by the product of the covering numbers of basic RKHSs. For sum space of RKHSs with Gaussian kernels, by choosing appropriate parameters, we tradeoff the sample error and regularization error, and obtain a polynomial learning rate, which is better than that in any single RKHS. The utility of this method is illustrated with two simulated data sets and five real-life databases.

Least-squares Minimization Approaches to Interpret Total Magnetic Anomalies Due to Spheres

Science.gov (United States)

Abdelrahman, E. M.; El-Araby, T. M.; Soliman, K. S.; Essa, K. S.; Abo-Ezz, E. R.

2007-05-01

We have developed three different least-squares approaches to determine successively: the depth, magnetic angle, and amplitude coefficient of a buried sphere from a total magnetic anomaly. By defining the anomaly value at the origin and the nearest zero-anomaly distance from the origin on the profile, the problem of depth determination is transformed into the problem of finding a solution of a nonlinear equation of the form f(z)=0. Knowing the depth and applying the least-squares method, the magnetic angle and amplitude coefficient are determined using two simple linear equations. In this way, the depth, magnetic angle, and amplitude coefficient are determined individually from all observed total magnetic data. The method is applied to synthetic examples with and without random errors and tested on a field example from Senegal, West Africa. In all cases, the depth solutions are in good agreement with the actual ones.

Convergence of Inner-Iteration GMRES Methods for Rank-Deficient Least Squares Problems

Czech Academy of Sciences Publication Activity Database

Morikuni, Keiichi; Hayami, K.

2015-01-01

Roč. 36, č. 1 (2015), s. 225-250 ISSN 0895-4798 Institutional support: RVO:67985807 Keywords : least squares problem * iterative methods * preconditioner * inner-outer iteration * GMRES method * stationary iterative method * rank-deficient problem Subject RIV: BA - General Mathematics Impact factor: 1.883, year: 2015

Least-squares approximation of an improper correlation matrix by a proper one

NARCIS (Netherlands)

Knol, Dirk L.; ten Berge, Jos M.F.

1989-01-01

An algorithm is presented for the best least-squares fitting correlation matrix approximating a given missing value or improper correlation matrix. The proposed algorithm is based upon a solution for Mosier's oblique Procrustes rotation problem offered by ten Berge and Nevels. A necessary and

Robust regularized least-squares beamforming approach to signal estimation

KAUST Repository

Suliman, Mohamed Abdalla Elhag

2017-05-12

In this paper, we address the problem of robust adaptive beamforming of signals received by a linear array. The challenge associated with the beamforming problem is twofold. Firstly, the process requires the inversion of the usually ill-conditioned covariance matrix of the received signals. Secondly, the steering vector pertaining to the direction of arrival of the signal of interest is not known precisely. To tackle these two challenges, the standard capon beamformer is manipulated to a form where the beamformer output is obtained as a scaled version of the inner product of two vectors. The two vectors are linearly related to the steering vector and the received signal snapshot, respectively. The linear operator, in both cases, is the square root of the covariance matrix. A regularized least-squares (RLS) approach is proposed to estimate these two vectors and to provide robustness without exploiting prior information. Simulation results show that the RLS beamformer using the proposed regularization algorithm outperforms state-of-the-art beamforming algorithms, as well as another RLS beamformers using a standard regularization approaches.

A Least Square-Based Self-Adaptive Localization Method for Wireless Sensor Networks

Directory of Open Access Journals (Sweden)

Baoguo Yu

2016-01-01

Full Text Available In the wireless sensor network (WSN localization methods based on Received Signal Strength Indicator (RSSI, it is usually required to determine the parameters of the radio signal propagation model before estimating the distance between the anchor node and an unknown node with reference to their communication RSSI value. And finally we use a localization algorithm to estimate the location of the unknown node. However, this localization method, though high in localization accuracy, has weaknesses such as complex working procedure and poor system versatility. Concerning these defects, a self-adaptive WSN localization method based on least square is proposed, which uses the least square criterion to estimate the parameters of radio signal propagation model, which positively reduces the computation amount in the estimation process. The experimental results show that the proposed self-adaptive localization method outputs a high processing efficiency while satisfying the high localization accuracy requirement. Conclusively, the proposed method is of definite practical value.

Method for exploiting bias in factor analysis using constrained alternating least squares algorithms

Science.gov (United States)

Keenan, Michael R.

2008-12-30

Bias plays an important role in factor analysis and is often implicitly made use of, for example, to constrain solutions to factors that conform to physical reality. However, when components are collinear, a large range of solutions may exist that satisfy the basic constraints and fit the data equally well. In such cases, the introduction of mathematical bias through the application of constraints may select solutions that are less than optimal. The biased alternating least squares algorithm of the present invention can offset mathematical bias introduced by constraints in the standard alternating least squares analysis to achieve factor solutions that are most consistent with physical reality. In addition, these methods can be used to explicitly exploit bias to provide alternative views and provide additional insights into spectral data sets.

Least-squares migration of multisource data with a deblurring filter

KAUST Repository

Dai, Wei; Wang, Xin; Schuster, Gerard T.

2011-01-01

Least-squares migration (LSM) has been shown to be able to produce high-quality migration images, but its computational cost is considered to be too high for practical imaging. We have developed a multisource least-squares migration algorithm (MLSM) to increase the computational efficiency by using the blended sources processing technique. To expedite convergence, a multisource deblurring filter is used as a preconditioner to reduce the data residual. This MLSM algorithm is applicable with Kirchhoff migration, wave-equation migration, or reverse time migration, and the gain in computational efficiency depends on the choice of migration method. Numerical results with Kirchhoff LSM on the 2D SEG/EAGE salt model show that an accurate image is obtained by migrating a supergather of 320 phase-encoded shots. When the encoding functions are the same for every iteration, the input/output cost of MLSM is reduced by 320 times. Empirical results show that the crosstalk noise introduced by blended sources is more effectively reduced when the encoding functions are changed at every iteration. The analysis of signal-to-noise ratio (S/N) suggests that not too many iterations are needed to enhance the S/N to an acceptable level. Therefore, when implemented with wave-equation migration or reverse time migration methods, the MLSM algorithm can be more efficient than the conventional migration method. © 2011 Society of Exploration Geophysicists.

Least-squares migration of multisource data with a deblurring filter

KAUST Repository

Dai, Wei

2011-09-01

Least-squares migration (LSM) has been shown to be able to produce high-quality migration images, but its computational cost is considered to be too high for practical imaging. We have developed a multisource least-squares migration algorithm (MLSM) to increase the computational efficiency by using the blended sources processing technique. To expedite convergence, a multisource deblurring filter is used as a preconditioner to reduce the data residual. This MLSM algorithm is applicable with Kirchhoff migration, wave-equation migration, or reverse time migration, and the gain in computational efficiency depends on the choice of migration method. Numerical results with Kirchhoff LSM on the 2D SEG/EAGE salt model show that an accurate image is obtained by migrating a supergather of 320 phase-encoded shots. When the encoding functions are the same for every iteration, the input/output cost of MLSM is reduced by 320 times. Empirical results show that the crosstalk noise introduced by blended sources is more effectively reduced when the encoding functions are changed at every iteration. The analysis of signal-to-noise ratio (S/N) suggests that not too many iterations are needed to enhance the S/N to an acceptable level. Therefore, when implemented with wave-equation migration or reverse time migration methods, the MLSM algorithm can be more efficient than the conventional migration method. © 2011 Society of Exploration Geophysicists.

Partial strengthening of R.C square columns using CFRP

Directory of Open Access Journals (Sweden)

Ahmed Shaban Abdel-Hay

2014-12-01

An experimental program was undertaken testing ten square columns 200 × 200 × 2000 mm. One of them was a control specimen and the other nine specimens were strengthened with CFRP. The main parameters studied in this research were the compressive strength of the upper part, the height of the upper poor concrete part, and the height of CFRP wrapped part of column. The experimental results including mode of failure, ultimate load, concrete strain, and fiber strains were analyzed. The main conclusion of this research was, partial strengthening of square column using CFRP can be permitted and gives good results of the column carrying capacity.

Variable forgetting factor mechanisms for diffusion recursive least squares algorithm in sensor networks

Science.gov (United States)

Zhang, Ling; Cai, Yunlong; Li, Chunguang; de Lamare, Rodrigo C.

2017-12-01

In this work, we present low-complexity variable forgetting factor (VFF) techniques for diffusion recursive least squares (DRLS) algorithms. Particularly, we propose low-complexity VFF-DRLS algorithms for distributed parameter and spectrum estimation in sensor networks. For the proposed algorithms, they can adjust the forgetting factor automatically according to the posteriori error signal. We develop detailed analyses in terms of mean and mean square performance for the proposed algorithms and derive mathematical expressions for the mean square deviation (MSD) and the excess mean square error (EMSE). The simulation results show that the proposed low-complexity VFF-DRLS algorithms achieve superior performance to the existing DRLS algorithm with fixed forgetting factor when applied to scenarios of distributed parameter and spectrum estimation. Besides, the simulation results also demonstrate a good match for our proposed analytical expressions.

Mitigation of defocusing by statics and near-surface velocity errors by interferometric least-squares migration

KAUST Repository

Sinha, Mrinal

2015-08-19

We propose an interferometric least-squares migration method that can significantly reduce migration artifacts due to statics and errors in the near-surface velocity model. We first choose a reference reflector whose topography is well known from the, e.g., well logs. Reflections from this reference layer are correlated with the traces associated with reflections from deeper interfaces to get crosscorrelograms. These crosscorrelograms are then migrated using interferometric least-squares migration (ILSM). In this way statics and velocity errors at the near surface are largely eliminated for the examples in our paper.

Least-Squares Approximation of an Improper Correlation Matrix by a Proper One.

Science.gov (United States)

Knol, Dirk L.; ten Berge, Jos M. F.

1989-01-01

An algorithm, based on a solution for C. I. Mosier's oblique Procrustes rotation problem, is presented for the best least-squares fitting correlation matrix approximating a given missing value or improper correlation matrix. Results are of interest for missing value and tetrachoric correlation, indefinite matrix correlation, and constrained…

Partial least square method for modelling ergonomic risks factors on express bus accidents in the east coast of peninsular west Malaysia

International Nuclear Information System (INIS)

Hashim, Yusof bin; Taha, Zahari bin

2015-01-01

Public, stake holders and authorities in Malaysian government show great concern towards high numbers of passenger’s injuries and passengers fatalities in express bus accident. This paper studies the underlying factors involved in determining ergonomics risk factors towards human error as the reasons in express bus accidents in order to develop an integrated analytical framework. Reliable information about drivers towards bus accident should lead to the design of strategies intended to make the public feel safe in public transport services. In addition there is an analysis of ergonomics risk factors to determine highly ergonomic risk factors which led to accidents. The research was performed in east coast of peninsular Malaysia using variance-based structural equation modeling namely the Partial Least Squares (PLS) regression techniques. A questionnaire survey was carried out at random among 65 express bus drivers operating from the city of Kuantan in Pahang and among 49 express bus drivers operating from the city of Kuala Terengganu in Terengganu to all towns in the east coast of peninsular west Malaysia. The ergonomic risks factors questionnaire is based on demographic information, occupational information, organizational safety climate, ergonomic workplace, physiological factors, stress at workplace, physical fatigue and near miss accidents. The correlation and significant values between latent constructs (near miss accident) were analyzed using SEM SmartPLS, 3M. The finding shows that the correlated ergonomic risks factors (occupational information, t=2.04, stress at workplace, t = 2.81, physiological factor, t=2.08) are significant to physical fatigue and as the mediator to near miss accident at t = 2.14 at p<0.05and T-statistics, t>1.96. The results shows that the effects of physical fatigue due to ergonomic risks factors influence the human error as the reasons in express bus accidents

Partial least square method for modelling ergonomic risks factors on express bus accidents in the east coast of peninsular west Malaysia

Energy Technology Data Exchange (ETDEWEB)

Hashim, Yusof bin [Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang, Gambang 26300 Kuantan, Pahang (Malaysia); Taha, Zahari bin [Faculty of Manufacturing Engineering, Malaysia Pahang, 26600 Pekan, Pahang (Malaysia)

2015-02-03

Public, stake holders and authorities in Malaysian government show great concern towards high numbers of passenger’s injuries and passengers fatalities in express bus accident. This paper studies the underlying factors involved in determining ergonomics risk factors towards human error as the reasons in express bus accidents in order to develop an integrated analytical framework. Reliable information about drivers towards bus accident should lead to the design of strategies intended to make the public feel safe in public transport services. In addition there is an analysis of ergonomics risk factors to determine highly ergonomic risk factors which led to accidents. The research was performed in east coast of peninsular Malaysia using variance-based structural equation modeling namely the Partial Least Squares (PLS) regression techniques. A questionnaire survey was carried out at random among 65 express bus drivers operating from the city of Kuantan in Pahang and among 49 express bus drivers operating from the city of Kuala Terengganu in Terengganu to all towns in the east coast of peninsular west Malaysia. The ergonomic risks factors questionnaire is based on demographic information, occupational information, organizational safety climate, ergonomic workplace, physiological factors, stress at workplace, physical fatigue and near miss accidents. The correlation and significant values between latent constructs (near miss accident) were analyzed using SEM SmartPLS, 3M. The finding shows that the correlated ergonomic risks factors (occupational information, t=2.04, stress at workplace, t = 2.81, physiological factor, t=2.08) are significant to physical fatigue and as the mediator to near miss accident at t = 2.14 at p<0.05and T-statistics, t>1.96. The results shows that the effects of physical fatigue due to ergonomic risks factors influence the human error as the reasons in express bus accidents.

Partial least square method for modelling ergonomic risks factors on express bus accidents in the east coast of peninsular west Malaysia

Science.gov (United States)

Hashim, Yusof bin; Taha, Zahari bin

2015-02-01

Public, stake holders and authorities in Malaysian government show great concern towards high numbers of passenger's injuries and passengers fatalities in express bus accident. This paper studies the underlying factors involved in determining ergonomics risk factors towards human error as the reasons in express bus accidents in order to develop an integrated analytical framework. Reliable information about drivers towards bus accident should lead to the design of strategies intended to make the public feel safe in public transport services. In addition there is an analysis of ergonomics risk factors to determine highly ergonomic risk factors which led to accidents. The research was performed in east coast of peninsular Malaysia using variance-based structural equation modeling namely the Partial Least Squares (PLS) regression techniques. A questionnaire survey was carried out at random among 65 express bus drivers operating from the city of Kuantan in Pahang and among 49 express bus drivers operating from the city of Kuala Terengganu in Terengganu to all towns in the east coast of peninsular west Malaysia. The ergonomic risks factors questionnaire is based on demographic information, occupational information, organizational safety climate, ergonomic workplace, physiological factors, stress at workplace, physical fatigue and near miss accidents. The correlation and significant values between latent constructs (near miss accident) were analyzed using SEM SmartPLS, 3M. The finding shows that the correlated ergonomic risks factors (occupational information, t=2.04, stress at workplace, t = 2.81, physiological factor, t=2.08) are significant to physical fatigue and as the mediator to near miss accident at t = 2.14 at p1.96. The results shows that the effects of physical fatigue due to ergonomic risks factors influence the human error as the reasons in express bus accidents.

A graphical method to evaluate spectral preprocessing in multivariate regression calibrations: example with Savitzky-Golay filters and partial least squares regression.

Science.gov (United States)

Delwiche, Stephen R; Reeves, James B

2010-01-01

In multivariate regression analysis of spectroscopy data, spectral preprocessing is often performed to reduce unwanted background information (offsets, sloped baselines) or accentuate absorption features in intrinsically overlapping bands. These procedures, also known as pretreatments, are commonly smoothing operations or derivatives. While such operations are often useful in reducing the number of latent variables of the actual decomposition and lowering residual error, they also run the risk of misleading the practitioner into accepting calibration equations that are poorly adapted to samples outside of the calibration. The current study developed a graphical method to examine this effect on partial least squares (PLS) regression calibrations of near-infrared (NIR) reflection spectra of ground wheat meal with two analytes, protein content and sodium dodecyl sulfate sedimentation (SDS) volume (an indicator of the quantity of the gluten proteins that contribute to strong doughs). These two properties were chosen because of their differing abilities to be modeled by NIR spectroscopy: excellent for protein content, fair for SDS sedimentation volume. To further demonstrate the potential pitfalls of preprocessing, an artificial component, a randomly generated value, was included in PLS regression trials. Savitzky-Golay (digital filter) smoothing, first-derivative, and second-derivative preprocess functions (5 to 25 centrally symmetric convolution points, derived from quadratic polynomials) were applied to PLS calibrations of 1 to 15 factors. The results demonstrated the danger of an over reliance on preprocessing when (1) the number of samples used in a multivariate calibration is low (<50), (2) the spectral response of the analyte is weak, and (3) the goodness of the calibration is based on the coefficient of determination (R(2)) rather than a term based on residual error. The graphical method has application to the evaluation of other preprocess functions and various

Moving Least Squares Method for a One-Dimensional Parabolic Inverse Problem

Directory of Open Access Journals (Sweden)

Baiyu Wang

2014-01-01

Full Text Available This paper investigates the numerical solution of a class of one-dimensional inverse parabolic problems using the moving least squares approximation; the inverse problem is the determination of an unknown source term depending on time. The collocation method is used for solving the equation; some numerical experiments are presented and discussed to illustrate the stability and high efficiency of the method.

Space-time coupled spectral/hp least-squares finite element formulation for the incompressible Navier-Stokes equations

International Nuclear Information System (INIS)

Pontaza, J.P.; Reddy, J.N.

2004-01-01

We consider least-squares finite element models for the numerical solution of the non-stationary Navier-Stokes equations governing viscous incompressible fluid flows. The paper presents a formulation where the effects of space and time are coupled, resulting in a true space-time least-squares minimization procedure, as opposed to a space-time decoupled formulation where a least-squares minimization procedure is performed in space at each time step. The formulation is first presented for the linear advection-diffusion equation and then extended to the Navier-Stokes equations. The formulation has no time step stability restrictions and is spectrally accurate in both space and time. To allow the use of practical C 0 element expansions in the resulting finite element model, the Navier-Stokes equations are expressed as an equivalent set of first-order equations by introducing vorticity as an additional independent variable and the least-squares method is used to develop the finite element model of the governing equations. High-order element expansions are used to construct the discrete model. The discrete model thus obtained is linearized by Newton's method, resulting in a linear system of equations with a symmetric positive definite coefficient matrix that is solved in a fully coupled manner by a preconditioned conjugate gradient method in matrix-free form. Spectral convergence of the L 2 least-squares functional and L 2 error norms in space-time is verified using a smooth solution to the two-dimensional non-stationary incompressible Navier-Stokes equations. Numerical results are presented for impulsively started lid-driven cavity flow, oscillatory lid-driven cavity flow, transient flow over a backward-facing step, and flow around a circular cylinder; the results demonstrate the predictive capability and robustness of the proposed formulation. Even though the space-time coupled formulation is emphasized, we also present the formulation and numerical results for least-squares

Comparison of partial least squares and lasso regression techniques as applied to laser-induced breakdown spectroscopy of geological samples

Energy Technology Data Exchange (ETDEWEB)

Dyar, M.D., E-mail: mdyar@mtholyoke.edu [Dept. of Astronomy, Mount Holyoke College, 50 College St., South Hadley, MA 01075 (United States); Carmosino, M.L.; Breves, E.A.; Ozanne, M.V. [Dept. of Astronomy, Mount Holyoke College, 50 College St., South Hadley, MA 01075 (United States); Clegg, S.M.; Wiens, R.C. [Los Alamos National Laboratory, P.O. Box 1663, MS J565, Los Alamos, NM 87545 (United States)

2012-04-15

A remote laser-induced breakdown spectrometer (LIBS) designed to simulate the ChemCam instrument on the Mars Science Laboratory Rover Curiosity was used to probe 100 geologic samples at a 9-m standoff distance. ChemCam consists of an integrated remote LIBS instrument that will probe samples up to 7 m from the mast of the rover and a remote micro-imager (RMI) that will record context images. The elemental compositions of 100 igneous and highly-metamorphosed rocks are determined with LIBS using three variations of multivariate analysis, with a goal of improving the analytical accuracy. Two forms of partial least squares (PLS) regression are employed with finely-tuned parameters: PLS-1 regresses a single response variable (elemental concentration) against the observation variables (spectra, or intensity at each of 6144 spectrometer channels), while PLS-2 simultaneously regresses multiple response variables (concentrations of the ten major elements in rocks) against the observation predictor variables, taking advantage of natural correlations between elements. Those results are contrasted with those from the multivariate regression technique of the least absolute shrinkage and selection operator (lasso), which is a penalized shrunken regression method that selects the specific channels for each element that explain the most variance in the concentration of that element. To make this comparison, we use results of cross-validation and of held-out testing, and employ unscaled and uncentered spectral intensity data because all of the input variables are already in the same units. Results demonstrate that the lasso, PLS-1, and PLS-2 all yield comparable results in terms of accuracy for this dataset. However, the interpretability of these methods differs greatly in terms of fundamental understanding of LIBS emissions. PLS techniques generate principal components, linear combinations of intensities at any number of spectrometer channels, which explain as much variance in the

Discrete least squares polynomial approximation with random evaluations − application to parametric and stochastic elliptic PDEs

KAUST Repository

Chkifa, Abdellah

2015-04-08

Motivated by the numerical treatment of parametric and stochastic PDEs, we analyze the least-squares method for polynomial approximation of multivariate functions based on random sampling according to a given probability measure. Recent work has shown that in the univariate case, the least-squares method is quasi-optimal in expectation in [A. Cohen, M A. Davenport and D. Leviatan. Found. Comput. Math. 13 (2013) 819–834] and in probability in [G. Migliorati, F. Nobile, E. von Schwerin, R. Tempone, Found. Comput. Math. 14 (2014) 419–456], under suitable conditions that relate the number of samples with respect to the dimension of the polynomial space. Here “quasi-optimal” means that the accuracy of the least-squares approximation is comparable with that of the best approximation in the given polynomial space. In this paper, we discuss the quasi-optimality of the polynomial least-squares method in arbitrary dimension. Our analysis applies to any arbitrary multivariate polynomial space (including tensor product, total degree or hyperbolic crosses), under the minimal requirement that its associated index set is downward closed. The optimality criterion only involves the relation between the number of samples and the dimension of the polynomial space, independently of the anisotropic shape and of the number of variables. We extend our results to the approximation of Hilbert space-valued functions in order to apply them to the approximation of parametric and stochastic elliptic PDEs. As a particular case, we discuss “inclusion type” elliptic PDE models, and derive an exponential convergence estimate for the least-squares method. Numerical results confirm our estimate, yet pointing out a gap between the condition necessary to achieve optimality in the theory, and the condition that in practice yields the optimal convergence rate.

Penalized linear regression for discrete ill-posed problems: A hybrid least-squares and mean-squared error approach

KAUST Repository

Suliman, Mohamed Abdalla Elhag

2016-12-19

This paper proposes a new approach to find the regularization parameter for linear least-squares discrete ill-posed problems. In the proposed approach, an artificial perturbation matrix with a bounded norm is forced into the discrete ill-posed model matrix. This perturbation is introduced to enhance the singular-value (SV) structure of the matrix and hence to provide a better solution. The proposed approach is derived to select the regularization parameter in a way that minimizes the mean-squared error (MSE) of the estimator. Numerical results demonstrate that the proposed approach outperforms a set of benchmark methods in most cases when applied to different scenarios of discrete ill-posed problems. Jointly, the proposed approach enjoys the lowest run-time and offers the highest level of robustness amongst all the tested methods.

Small-kernel, constrained least-squares restoration of sampled image data

Science.gov (United States)

Hazra, Rajeeb; Park, Stephen K.

1992-01-01

Following the work of Park (1989), who extended a derivation of the Wiener filter based on the incomplete discrete/discrete model to a more comprehensive end-to-end continuous/discrete/continuous model, it is shown that a derivation of the constrained least-squares (CLS) filter based on the discrete/discrete model can also be extended to this more comprehensive continuous/discrete/continuous model. This results in an improved CLS restoration filter, which can be efficiently implemented as a small-kernel convolution in the spatial domain.

The Total Least Squares Problem in AX approximate to B: A New Classification with the Relationship to the Classical Works

Czech Academy of Sciences Publication Activity Database

Hnětynková, I.; Plešinger, Martin; Sima, D.M.; Strakoš, Z.; Huffel van, S.

2011-01-01

Roč. 32, č. 3 (2011), s. 748-770 ISSN 0895-4798 R&D Projects: GA AV ČR IAA100300802 Grant - others:GA ČR(CZ) GA201/09/0917 Program:GA Institutional research plan: CEZ:AV0Z10300504 Keywords : total least squares * multiple right-hand sides * linear approximation problems * orthogonally invariant problems * orthogonal regression * errors-in-variables modeling Subject RIV: BA - General Mathematics Impact factor: 1.368, year: 2011

Decision-making in healthcare: a practical application of partial least square path modelling to coverage of newborn screening programmes

Directory of Open Access Journals (Sweden)

Fischer Katharina E

2012-08-01

Full Text Available Abstract Background Decision-making in healthcare is complex. Research on coverage decision-making has focused on comparative studies for several countries, statistical analyses for single decision-makers, the decision outcome and appraisal criteria. Accounting for decision processes extends the complexity, as they are multidimensional and process elements need to be regarded as latent constructs (composites that are not observed directly. The objective of this study was to present a practical application of partial least square path modelling (PLS-PM to evaluate how it offers a method for empirical analysis of decision-making in healthcare. Methods Empirical approaches that applied PLS-PM to decision-making in healthcare were identified through a systematic literature search. PLS-PM was used as an estimation technique for a structural equation model that specified hypotheses between the components of decision processes and the reasonableness of decision-making in terms of medical, economic and other ethical criteria. The model was estimated for a sample of 55 coverage decisions on the extension of newborn screening programmes in Europe. Results were evaluated by standard reliability and validity measures for PLS-PM. Results After modification by dropping two indicators that showed poor measures in the measurement models’ quality assessment and were not meaningful for newborn screening, the structural equation model estimation produced plausible results. The presence of three influences was supported: the links between both stakeholder participation or transparency and the reasonableness of decision-making; and the effect of transparency on the degree of scientific rigour of assessment. Reliable and valid measurement models were obtained to describe the composites of ‘transparency’, ‘participation’, ‘scientific rigour’ and ‘reasonableness’. Conclusions The structural equation model was among the first applications of PLS-PM to

Error analysis of some Galerkin - least squares methods for the elasticity equations

International Nuclear Information System (INIS)

Franca, L.P.; Stenberg, R.

1989-05-01

We consider the recent technique of stabilizing mixed finite element methods by augmenting the Galerkin formulation with least squares terms calculated separately on each element. The error analysis is performed in a unified manner yielding improved results for some methods introduced earlier. In addition, a new formulation is introduced and analyzed [pt

Nonlinear partial least squares with Hellinger distance for nonlinear process monitoring

KAUST Repository

Harrou, Fouzi; Madakyaru, Muddu; Sun, Ying

2017-01-01

This paper proposes an efficient data-based anomaly detection method that can be used for monitoring nonlinear processes. The proposed method merges advantages of nonlinear projection to latent structures (NLPLS) modeling and those of Hellinger distance (HD) metric to identify abnormal changes in highly correlated multivariate data. Specifically, the HD is used to quantify the dissimilarity between current NLPLS-based residual and reference probability distributions. The performances of the developed anomaly detection using NLPLS-based HD technique is illustrated using simulated plug flow reactor data.

Nonlinear partial least squares with Hellinger distance for nonlinear process monitoring

KAUST Repository

Harrou, Fouzi

2017-02-16

This paper proposes an efficient data-based anomaly detection method that can be used for monitoring nonlinear processes. The proposed method merges advantages of nonlinear projection to latent structures (NLPLS) modeling and those of Hellinger distance (HD) metric to identify abnormal changes in highly correlated multivariate data. Specifically, the HD is used to quantify the dissimilarity between current NLPLS-based residual and reference probability distributions. The performances of the developed anomaly detection using NLPLS-based HD technique is illustrated using simulated plug flow reactor data.

Estimating Frequency by Interpolation Using Least Squares Support Vector Regression

Directory of Open Access Journals (Sweden)

Changwei Ma

2015-01-01

Full Text Available Discrete Fourier transform- (DFT- based maximum likelihood (ML algorithm is an important part of single sinusoid frequency estimation. As signal to noise ratio (SNR increases and is above the threshold value, it will lie very close to Cramer-Rao lower bound (CRLB, which is dependent on the number of DFT points. However, its mean square error (MSE performance is directly proportional to its calculation cost. As a modified version of support vector regression (SVR, least squares SVR (LS-SVR can not only still keep excellent capabilities for generalizing and fitting but also exhibit lower computational complexity. In this paper, therefore, LS-SVR is employed to interpolate on Fourier coefficients of received signals and attain high frequency estimation accuracy. Our results show that the proposed algorithm can make a good compromise between calculation cost and MSE performance under the assumption that the sample size, number of DFT points, and resampling points are already known.

DEM GENERATION FROM HIGH RESOLUTION SATELLITE IMAGES THROUGH A NEW 3D LEAST SQUARES MATCHING ALGORITHM

Directory of Open Access Journals (Sweden)

T. Kim

2012-09-01

Full Text Available Automated generation of digital elevation models (DEMs from high resolution satellite images (HRSIs has been an active research topic for many years. However, stereo matching of HRSIs, in particular based on image-space search, is still difficult due to occlusions and building facades within them. Object-space matching schemes, proposed to overcome these problem, often are very time consuming and critical to the dimensions of voxels. In this paper, we tried a new least square matching (LSM algorithm that works in a 3D object space. The algorithm starts with an initial height value on one location of the object space. From this 3D point, the left and right image points are projected. The true height is calculated by iterative least squares estimation based on the grey level differences between the left and right patches centred on the projected left and right points. We tested the 3D LSM to the Worldview images over 'Terrassa Sud' provided by the ISPRS WG I/4. We also compared the performance of the 3D LSM with the correlation matching based on 2D image space and the correlation matching based on 3D object space. The accuracy of the DEM from each method was analysed against the ground truth. Test results showed that 3D LSM offers more accurate DEMs over the conventional matching algorithms. Results also showed that 3D LSM is sensitive to the accuracy of initial height value to start the estimation. We combined the 3D COM and 3D LSM for accurate and robust DEM generation from HRSIs. The major contribution of this paper is that we proposed and validated that LSM can be applied to object space and that the combination of 3D correlation and 3D LSM can be a good solution for automated DEM generation from HRSIs.

Optimization of sequential decisions by least squares Monte Carlo method

DEFF Research Database (Denmark)

Nishijima, Kazuyoshi; Anders, Annett

change adaptation measures, and evacuation of people and assets in the face of an emerging natural hazard event. Focusing on the last example, an efficient solution scheme is proposed by Anders and Nishijima (2011). The proposed solution scheme takes basis in the least squares Monte Carlo method, which...... is proposed by Longstaff and Schwartz (2001) for pricing of American options. The present paper formulates the decision problem in a more general manner and explains how the solution scheme proposed by Anders and Nishijima (2011) is implemented for the optimization of the formulated decision problem...

Least-squares resolution of gamma-ray spectra in environmental samples

International Nuclear Information System (INIS)

Kanipe, L.G.; Seale, S.K.; Liggett, W.S.

1977-08-01

The use of ALPHA-M, a least squares computer program for analyzing NaI (Tl) gamma spectra of environmental samples, is evaluated. Included is a comprehensive set of program instructions, listings, and flowcharts. Two other programs, GEN4 and SIMSPEC, are also described. GEN4 is used to create standard libraries for ALPHA-M, and SIMSPEC is used to simulate spectra for ALPHA-M analysis. Tests to evaluate the standard libraries selected for use in analyzing environmental samples are provided. An evaluation of the results of sample analyses is discussed

Canonical Least-Squares Monte Carlo Valuation of American Options: Convergence and Empirical Pricing Analysis

Directory of Open Access Journals (Sweden)

Xisheng Yu

2014-01-01

Full Text Available The paper by Liu (2010 introduces a method termed the canonical least-squares Monte Carlo (CLM which combines a martingale-constrained entropy model and a least-squares Monte Carlo algorithm to price American options. In this paper, we first provide the convergence results of CLM and numerically examine the convergence properties. Then, the comparative analysis is empirically conducted using a large sample of the S&P 100 Index (OEX puts and IBM puts. The results on the convergence show that choosing the shifted Legendre polynomials with four regressors is more appropriate considering the pricing accuracy and the computational cost. With this choice, CLM method is empirically demonstrated to be superior to the benchmark methods of binominal tree and finite difference with historical volatilities.

Weighted least-square approach for simultaneous measurement of multiple reflective surfaces

Science.gov (United States)

Tang, Shouhong; Bills, Richard E.; Freischlad, Klaus

2007-09-01

Phase shifting interferometry (PSI) is a highly accurate method for measuring the nanometer-scale relative surface height of a semi-reflective test surface. PSI is effectively used in conjunction with Fizeau interferometers for optical testing, hard disk inspection, and semiconductor wafer flatness. However, commonly-used PSI algorithms are unable to produce an accurate phase measurement if more than one reflective surface is present in the Fizeau interferometer test cavity. Examples of test parts that fall into this category include lithography mask blanks and their protective pellicles, and plane parallel optical beam splitters. The plane parallel surfaces of these parts generate multiple interferograms that are superimposed in the recording plane of the Fizeau interferometer. When using wavelength shifting in PSI the phase shifting speed of each interferogram is proportional to the optical path difference (OPD) between the two reflective surfaces. The proposed method is able to differentiate each underlying interferogram from each other in an optimal manner. In this paper, we present a method for simultaneously measuring the multiple test surfaces of all underlying interferograms from these superimposed interferograms through the use of a weighted least-square fitting technique. The theoretical analysis of weighted least-square technique and the measurement results will be described in this paper.

Data-adapted moving least squares method for 3-D image interpolation

International Nuclear Information System (INIS)

Jang, Sumi; Lee, Yeon Ju; Jeong, Byeongseon; Nam, Haewon; Lee, Rena; Yoon, Jungho

2013-01-01

In this paper, we present a nonlinear three-dimensional interpolation scheme for gray-level medical images. The scheme is based on the moving least squares method but introduces a fundamental modification. For a given evaluation point, the proposed method finds the local best approximation by reproducing polynomials of a certain degree. In particular, in order to obtain a better match to the local structures of the given image, we employ locally data-adapted least squares methods that can improve the classical one. Some numerical experiments are presented to demonstrate the performance of the proposed method. Five types of data sets are used: MR brain, MR foot, MR abdomen, CT head, and CT foot. From each of the five types, we choose five volumes. The scheme is compared with some well-known linear methods and other recently developed nonlinear methods. For quantitative comparison, we follow the paradigm proposed by Grevera and Udupa (1998). (Each slice is first assumed to be unknown then interpolated by each method. The performance of each interpolation method is assessed statistically.) The PSNR results for the estimated volumes are also provided. We observe that the new method generates better results in both quantitative and visual quality comparisons. (paper)

Influence of the least-squares phase on optical vortices in strongly scintillated beams

CSIR Research Space (South Africa)

Chen, M

2009-06-01

Full Text Available , the average total number of vortices is reduced further. However, the reduction becomes smaller for each succes- sive step. This indicates that the ability of getting rid of optical vortices by removing the least-squares phase becomes progressively less...

Bayesian model averaging and weighted average least squares : Equivariance, stability, and numerical issues

NARCIS (Netherlands)

De Luca, G.; Magnus, J.R.

2011-01-01

In this article, we describe the estimation of linear regression models with uncertainty about the choice of the explanatory variables. We introduce the Stata commands bma and wals, which implement, respectively, the exact Bayesian model-averaging estimator and the weighted-average least-squares

Expectile smoothing: new perspectives on asymmetric least squares. An application to life expectancy

NARCIS (Netherlands)

Schnabel, S.K.

2011-01-01

While initially motivated from a demographic application, this thesis develops methodology for expectile estimation. To this end first the basic model for expectile curves using least asymmetrically weighted squares (LAWS) was introduced as well as methods for smoothing in this context. The simple

Doppler-shift estimation of flat underwater channel using data-aided least-square approach

Directory of Open Access Journals (Sweden)

Weiqiang Pan

2015-03-01

Full Text Available In this paper we proposed a dada-aided Doppler estimation method for underwater acoustic communication. The training sequence is non-dedicate, hence it can be designed for Doppler estimation as well as channel equalization. We assume the channel has been equalized and consider only flat-fading channel. First, based on the training symbols the theoretical received sequence is composed. Next the least square principle is applied to build the objective function, which minimizes the error between the composed and the actual received signal. Then an iterative approach is applied to solve the least square problem. The proposed approach involves an outer loop and inner loop, which resolve the channel gain and Doppler coefficient, respectively. The theoretical performance bound, i.e. the Cramer-Rao Lower Bound (CRLB of estimation is also derived. Computer simulations results show that the proposed algorithm achieves the CRLB in medium to high SNR cases.

Doppler-shift estimation of flat underwater channel using data-aided least-square approach

Science.gov (United States)

Pan, Weiqiang; Liu, Ping; Chen, Fangjiong; Ji, Fei; Feng, Jing

2015-06-01

In this paper we proposed a dada-aided Doppler estimation method for underwater acoustic communication. The training sequence is non-dedicate, hence it can be designed for Doppler estimation as well as channel equalization. We assume the channel has been equalized and consider only flat-fading channel. First, based on the training symbols the theoretical received sequence is composed. Next the least square principle is applied to build the objective function, which minimizes the error between the composed and the actual received signal. Then an iterative approach is applied to solve the least square problem. The proposed approach involves an outer loop and inner loop, which resolve the channel gain and Doppler coefficient, respectively. The theoretical performance bound, i.e. the Cramer-Rao Lower Bound (CRLB) of estimation is also derived. Computer simulations results show that the proposed algorithm achieves the CRLB in medium to high SNR cases.

Joint 2D-DOA and Frequency Estimation for L-Shaped Array Using Iterative Least Squares Method

Directory of Open Access Journals (Sweden)

Ling-yun Xu

2012-01-01

Full Text Available We introduce an iterative least squares method (ILS for estimating the 2D-DOA and frequency based on L-shaped array. The ILS iteratively finds direction matrix and delay matrix, then 2D-DOA and frequency can be obtained by the least squares method. Without spectral peak searching and pairing, this algorithm works well and pairs the parameters automatically. Moreover, our algorithm has better performance than conventional ESPRIT algorithm and propagator method. The useful behavior of the proposed algorithm is verified by simulations.

Least median of squares filtering of locally optimal point matches for compressible flow image registration

International Nuclear Information System (INIS)

Castillo, Edward; Guerrero, Thomas; Castillo, Richard; White, Benjamin; Rojo, Javier

2012-01-01

Compressible flow based image registration operates under the assumption that the mass of the imaged material is conserved from one image to the next. Depending on how the mass conservation assumption is modeled, the performance of existing compressible flow methods is limited by factors such as image quality, noise, large magnitude voxel displacements, and computational requirements. The Least Median of Squares Filtered Compressible Flow (LFC) method introduced here is based on a localized, nonlinear least squares, compressible flow model that describes the displacement of a single voxel that lends itself to a simple grid search (block matching) optimization strategy. Spatially inaccurate grid search point matches, corresponding to erroneous local minimizers of the nonlinear compressible flow model, are removed by a novel filtering approach based on least median of squares fitting and the forward search outlier detection method. The spatial accuracy of the method is measured using ten thoracic CT image sets and large samples of expert determined landmarks (available at www.dir-lab.com). The LFC method produces an average error within the intra-observer error on eight of the ten cases, indicating that the method is capable of achieving a high spatial accuracy for thoracic CT registration. (paper)

Fast Dating Using Least-Squares Criteria and Algorithms.

Science.gov (United States)

To, Thu-Hien; Jung, Matthieu; Lycett, Samantha; Gascuel, Olivier

2016-01-01

Phylogenies provide a useful way to understand the evolutionary history of genetic samples, and data sets with more than a thousand taxa are becoming increasingly common, notably with viruses (e.g., human immunodeficiency virus (HIV)). Dating ancestral events is one of the first, essential goals with such data. However, current sophisticated probabilistic approaches struggle to handle data sets of this size. Here, we present very fast dating algorithms, based on a Gaussian model closely related to the Langley-Fitch molecular-clock model. We show that this model is robust to uncorrelated violations of the molecular clock. Our algorithms apply to serial data, where the tips of the tree have been sampled through times. They estimate the substitution rate and the dates of all ancestral nodes. When the input tree is unrooted, they can provide an estimate for the root position, thus representing a new, practical alternative to the standard rooting methods (e.g., midpoint). Our algorithms exploit the tree (recursive) structure of the problem at hand, and the close relationships between least-squares and linear algebra. We distinguish between an unconstrained setting and the case where the temporal precedence constraint (i.e., an ancestral node must be older that its daughter nodes) is accounted for. With rooted trees, the former is solved using linear algebra in linear computing time (i.e., proportional to the number of taxa), while the resolution of the latter, constrained setting, is based on an active-set method that runs in nearly linear time. With unrooted trees the computing time becomes (nearly) quadratic (i.e., proportional to the square of the number of taxa). In all cases, very large input trees (>10,000 taxa) can easily be processed and transformed into time-scaled trees. We compare these algorithms to standard methods (root-to-tip, r8s version of Langley-Fitch method, and BEAST). Using simulated data, we show that their estimation accuracy is similar to that

Ordinary least square regression, orthogonal regression, geometric mean regression and their applications in aerosol science

International Nuclear Information System (INIS)

Leng Ling; Zhang Tianyi; Kleinman, Lawrence; Zhu Wei

2007-01-01

Regression analysis, especially the ordinary least squares method which assumes that errors are confined to the dependent variable, has seen a fair share of its applications in aerosol science. The ordinary least squares approach, however, could be problematic due to the fact that atmospheric data often does not lend itself to calling one variable independent and the other dependent. Errors often exist for both measurements. In this work, we examine two regression approaches available to accommodate this situation. They are orthogonal regression and geometric mean regression. Comparisons are made theoretically as well as numerically through an aerosol study examining whether the ratio of organic aerosol to CO would change with age

Adaptive Equalizer Using Selective Partial Update Algorithm and Selective Regressor Affine Projection Algorithm over Shallow Water Acoustic Channels

Directory of Open Access Journals (Sweden)

Masoumeh Soflaei

2014-01-01

Full Text Available One of the most important problems of reliable communications in shallow water channels is intersymbol interference (ISI which is due to scattering from surface and reflecting from bottom. Using adaptive equalizers in receiver is one of the best suggested ways for overcoming this problem. In this paper, we apply the family of selective regressor affine projection algorithms (SR-APA and the family of selective partial update APA (SPU-APA which have low computational complexity that is one of the important factors that influences adaptive equalizer performance. We apply experimental data from Strait of Hormuz for examining the efficiency of the proposed methods over shallow water channel. We observe that the values of the steady-state mean square error (MSE of SR-APA and SPU-APA decrease by 5.8 (dB and 5.5 (dB, respectively, in comparison with least mean square (LMS algorithm. Also the families of SPU-APA and SR-APA have better convergence speed than LMS type algorithm.

Least median of squares and iteratively re-weighted least squares as robust linear regression methods for fluorimetric determination of α-lipoic acid in capsules in ideal and non-ideal cases of linearity.

Science.gov (United States)

Korany, Mohamed A; Gazy, Azza A; Khamis, Essam F; Ragab, Marwa A A; Kamal, Miranda F

2018-03-26

This study outlines two robust regression approaches, namely least median of squares (LMS) and iteratively re-weighted least squares (IRLS) to investigate their application in instrument analysis of nutraceuticals (that is, fluorescence quenching of merbromin reagent upon lipoic acid addition). These robust regression methods were used to calculate calibration data from the fluorescence quenching reaction (∆F and F-ratio) under ideal or non-ideal linearity conditions. For each condition, data were treated using three regression fittings: Ordinary Least Squares (OLS), LMS and IRLS. Assessment of linearity, limits of detection (LOD) and quantitation (LOQ), accuracy and precision were carefully studied for each condition. LMS and IRLS regression line fittings showed significant improvement in correlation coefficients and all regression parameters for both methods and both conditions. In the ideal linearity condition, the intercept and slope changed insignificantly, but a dramatic change was observed for the non-ideal condition and linearity intercept. Under both linearity conditions, LOD and LOQ values after the robust regression line fitting of data were lower than those obtained before data treatment. The results obtained after statistical treatment indicated that the linearity ranges for drug determination could be expanded to lower limits of quantitation by enhancing the regression equation parameters after data treatment. Analysis results for lipoic acid in capsules, using both fluorimetric methods, treated by parametric OLS and after treatment by robust LMS and IRLS were compared for both linearity conditions. Copyright © 2018 John Wiley & Sons, Ltd.

Boosted regression trees, multivariate adaptive regression splines and their two-step combinations with multiple linear regression or partial least squares to predict blood-brain barrier passage: a case study.

Science.gov (United States)

Deconinck, E; Zhang, M H; Petitet, F; Dubus, E; Ijjaali, I; Coomans, D; Vander Heyden, Y

2008-02-18

The use of some unconventional non-linear modeling techniques, i.e. classification and regression trees and multivariate adaptive regression splines-based methods, was explored to model the blood-brain barrier (BBB) passage of drugs and drug-like molecules. The data set contains BBB passage values for 299 structural and pharmacological diverse drugs, originating from a structured knowledge-based database. Models were built using boosted regression trees (BRT) and multivariate adaptive regression splines (MARS), as well as their respective combinations with stepwise multiple linear regression (MLR) and partial least squares (PLS) regression in two-step approaches. The best models were obtained using combinations of MARS with either stepwise MLR or PLS. It could be concluded that the use of combinations of a linear with a non-linear modeling technique results in some improved properties compared to the individual linear and non-linear models and that, when the use of such a combination is appropriate, combinations using MARS as non-linear technique should be preferred over those with BRT, due to some serious drawbacks of the BRT approaches.

Least Squares Inference on Integrated Volatility and the Relationship between Efficient Prices and Noise

OpenAIRE

Nolte, Ingmar; Voev, Valeri

2009-01-01

The expected value of sums of squared intraday returns (realized variance)gives rise to a least squares regression which adapts itself to the assumptions ofthe noise process and allows for a joint inference on integrated volatility (IV),noise moments and price-noise relations. In the iid noise case we derive theasymptotic variance of the regression parameter estimating the IV, show thatit is consistent and compare its asymptotic efficiency against alternative consistentIV measures. In case of...

Credit Risk Evaluation Using a C-Variable Least Squares Support Vector Classification Model

Science.gov (United States)

Yu, Lean; Wang, Shouyang; Lai, K. K.

Credit risk evaluation is one of the most important issues in financial risk management. In this paper, a C-variable least squares support vector classification (C-VLSSVC) model is proposed for credit risk analysis. The main idea of this model is based on the prior knowledge that different classes may have different importance for modeling and more weights should be given to those classes with more importance. The C-VLSSVC model can be constructed by a simple modification of the regularization parameter in LSSVC, whereby more weights are given to the lease squares classification errors with important classes than the lease squares classification errors with unimportant classes while keeping the regularized terms in its original form. For illustration purpose, a real-world credit dataset is used to test the effectiveness of the C-VLSSVC model.

Partial least squares methods for spectrally estimating lunar soil FeO abundance: A stratified approach to revealing nonlinear effect and qualitative interpretation

Science.gov (United States)

Li, Lin

2008-12-01

Partial least squares (PLS) regressions were applied to lunar highland and mare soil data characterized by the Lunar Soil Characterization Consortium (LSCC) for spectral estimation of the abundance of lunar soil chemical constituents FeO and Al2O3. The LSCC data set was split into a number of subsets including the total highland, Apollo 16, Apollo 14, and total mare soils, and then PLS was applied to each to investigate the effect of nonlinearity on the performance of the PLS method. The weight-loading vectors resulting from PLS were analyzed to identify mineral species responsible for spectral estimation of the soil chemicals. The results from PLS modeling indicate that the PLS performance depends on the correlation of constituents of interest to their major mineral carriers, and the Apollo 16 soils are responsible for the large errors of FeO and Al2O3 estimates when the soils were modeled along with other types of soils. These large errors are primarily attributed to the degraded correlation FeO to pyroxene for the relatively mature Apollo 16 soils as a result of space weathering and secondary to the interference of olivine. PLS consistently yields very accurate fits to the two soil chemicals when applied to mare soils. Although Al2O3 has no spectrally diagnostic characteristics, this chemical can be predicted for all subset data by PLS modeling at high accuracies because of its correlation to FeO. This correlation is reflected in the symmetry of the PLS weight-loading vectors for FeO and Al2O3, which prove to be very useful for qualitative interpretation of the PLS results. However, this qualitative interpretation of PLS modeling cannot be achieved using principal component regression loading vectors.

Non-linear HVAC computations using least square support vector machines

International Nuclear Information System (INIS)

Kumar, Mahendra; Kar, I.N.

2009-01-01

This paper aims to demonstrate application of least square support vector machines (LS-SVM) to model two complex heating, ventilating and air-conditioning (HVAC) relationships. The two applications considered are the estimation of the predicted mean vote (PMV) for thermal comfort and the generation of psychrometric chart. LS-SVM has the potential for quick, exact representations and also possesses a structure that facilitates hardware implementation. The results show very good agreement between function values computed from conventional model and LS-SVM model in real time. The robustness of LS-SVM models against input noises has also been analyzed.

Single Directional SMO Algorithm for Least Squares Support Vector Machines

Directory of Open Access Journals (Sweden)

Xigao Shao

2013-01-01

Full Text Available Working set selection is a major step in decomposition methods for training least squares support vector machines (LS-SVMs. In this paper, a new technique for the selection of working set in sequential minimal optimization- (SMO- type decomposition methods is proposed. By the new method, we can select a single direction to achieve the convergence of the optimality condition. A simple asymptotic convergence proof for the new algorithm is given. Experimental comparisons demonstrate that the classification accuracy of the new method is not largely different from the existing methods, but the training speed is faster than existing ones.

Uncertainty analysis of pollutant build-up modelling based on a Bayesian weighted least squares approach

International Nuclear Information System (INIS)

Haddad, Khaled; Egodawatta, Prasanna; Rahman, Ataur; Goonetilleke, Ashantha

2013-01-01

Reliable pollutant build-up prediction plays a critical role in the accuracy of urban stormwater quality modelling outcomes. However, water quality data collection is resource demanding compared to streamflow data monitoring, where a greater quantity of data is generally available. Consequently, available water quality datasets span only relatively short time scales unlike water quantity data. Therefore, the ability to take due consideration of the variability associated with pollutant processes and natural phenomena is constrained. This in turn gives rise to uncertainty in the modelling outcomes as research has shown that pollutant loadings on catchment surfaces and rainfall within an area can vary considerably over space and time scales. Therefore, the assessment of model uncertainty is an essential element of informed decision making in urban stormwater management. This paper presents the application of a range of regression approaches such as ordinary least squares regression, weighted least squares regression and Bayesian weighted least squares regression for the estimation of uncertainty associated with pollutant build-up prediction using limited datasets. The study outcomes confirmed that the use of ordinary least squares regression with fixed model inputs and limited observational data may not provide realistic estimates. The stochastic nature of the dependent and independent variables need to be taken into consideration in pollutant build-up prediction. It was found that the use of the Bayesian approach along with the Monte Carlo simulation technique provides a powerful tool, which attempts to make the best use of the available knowledge in prediction and thereby presents a practical solution to counteract the limitations which are otherwise imposed on water quality modelling. - Highlights: ► Water quality data spans short time scales leading to significant model uncertainty. ► Assessment of uncertainty essential for informed decision making in water

Attenuation compensation in least-squares reverse time migration using the visco-acoustic wave equation

KAUST Repository

Dutta, Gaurav; Lu, Kai; Wang, Xin; Schuster, Gerard T.

2013-01-01

Attenuation leads to distortion of amplitude and phase of seismic waves propagating inside the earth. Conventional acoustic and least-squares reverse time migration do not account for this distortion which leads to defocusing of migration images

Internal displacement and strain measurement using digital volume correlation: a least-squares framework

International Nuclear Information System (INIS)

Pan, Bing; Wu, Dafang; Wang, Zhaoyang

2012-01-01

As a novel tool for quantitative 3D internal deformation measurement throughout the interior of a material or tissue, digital volume correlation (DVC) has increasingly gained attention and application in the fields of experimental mechanics, material research and biomedical engineering. However, the practical implementation of DVC involves important challenges such as implementation complexity, calculation accuracy and computational efficiency. In this paper, a least-squares framework is presented for 3D internal displacement and strain field measurement using DVC. The proposed DVC combines a practical linear-intensity-change model with an easy-to-implement iterative least-squares (ILS) algorithm to retrieve 3D internal displacement vector field with sub-voxel accuracy. Because the linear-intensity-change model is capable of accounting for both the possible intensity changes and the relative geometric transform of the target subvolume, the presented DVC thus provides the highest sub-voxel registration accuracy and widest applicability. Furthermore, as the ILS algorithm uses only first-order spatial derivatives of the deformed volumetric image, the developed DVC thus significantly reduces computational complexity. To further extract 3D strain distributions from the 3D discrete displacement vectors obtained by the ILS algorithm, the presented DVC employs a pointwise least-squares algorithm to estimate the strain components for each measurement point. Computer-simulated volume images with controlled displacements are employed to investigate the performance of the proposed DVC method in terms of mean bias error and standard deviation error. Results reveal that the present technique is capable of providing accurate measurements in an easy-to-implement manner, and can be applied to practical 3D internal displacement and strain calculation. (paper)

Speed control of induction motor using fuzzy recursive least squares technique

OpenAIRE

Santiago Sánchez; Eduardo Giraldo

2008-01-01

A simple adaptive controller design is presented in this paper, the control system uses the adaptive fuzzy logic, sliding modes and is trained with the recursive least squares technique. The problem of parameter variation is solved with the adaptive controller; the use of an internal PI regulator produces that the speed control of the induction motor be achieved by the stator currents instead the input voltage. The rotor-flux oriented coordinated system model is used to develop and test the c...

Analysis of neutron and x-ray reflectivity data by constrained least-squares methods

DEFF Research Database (Denmark)

Pedersen, J.S.; Hamley, I.W.

1994-01-01

. The coefficients in the series are determined by constrained nonlinear least-squares methods, in which the smoothest solution that agrees with the data is chosen. In the second approach the profile is expressed as a series of sine and cosine terms. A smoothness constraint is used which reduces the coefficients...

Discussion About Nonlinear Time Series Prediction Using Least Squares Support Vector Machine

International Nuclear Information System (INIS)

Xu Ruirui; Bian Guoxing; Gao Chenfeng; Chen Tianlun

2005-01-01

The least squares support vector machine (LS-SVM) is used to study the nonlinear time series prediction. First, the parameter γ and multi-step prediction capabilities of the LS-SVM network are discussed. Then we employ clustering method in the model to prune the number of the support values. The learning rate and the capabilities of filtering noise for LS-SVM are all greatly improved.

Solution of a few nonlinear problems in aerodynamics by the finite elements and functional least squares methods. Ph.D. Thesis - Paris Univ.; [mathematical models of transonic flow using nonlinear equations

Science.gov (United States)

Periaux, J.

1979-01-01

The numerical simulation of the transonic flows of idealized fluids and of incompressible viscous fluids, by the nonlinear least squares methods is presented. The nonlinear equations, the boundary conditions, and the various constraints controlling the two types of flow are described. The standard iterative methods for solving a quasi elliptical nonlinear equation with partial derivatives are reviewed with emphasis placed on two examples: the fixed point method applied to the Gelder functional in the case of compressible subsonic flows and the Newton method used in the technique of decomposition of the lifting potential. The new abstract least squares method is discussed. It consists of substituting the nonlinear equation by a problem of minimization in a H to the minus 1 type Sobolev functional space.

A Galerkin least squares approach to viscoelastic flow.

Energy Technology Data Exchange (ETDEWEB)

Rao, Rekha R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Schunk, Peter Randall [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-10-01

A Galerkin/least-squares stabilization technique is applied to a discrete Elastic Viscous Stress Splitting formulation of for viscoelastic flow. From this, a possible viscoelastic stabilization method is proposed. This method is tested with the flow of an Oldroyd-B fluid past a rigid cylinder, where it is found to produce inaccurate drag coefficients. Furthermore, it fails for relatively low Weissenberg number indicating it is not suited for use as a general algorithm. In addition, a decoupled approach is used as a way separating the constitutive equation from the rest of the system. A Pressure Poisson equation is used when the velocity and pressure are sought to be decoupled, but this fails to produce a solution when inflow/outflow boundaries are considered. However, a coupled pressure-velocity equation with a decoupled constitutive equation is successful for the flow past a rigid cylinder and seems to be suitable as a general-use algorithm.

Least-squares reverse time migration with radon preconditioning

KAUST Repository

Dutta, Gaurav

2016-09-06

We present a least-squares reverse time migration (LSRTM) method using Radon preconditioning to regularize noisy or severely undersampled data. A high resolution local radon transform is used as a change of basis for the reflectivity and sparseness constraints are applied to the inverted reflectivity in the transform domain. This reflects the prior that for each location of the subsurface the number of geological dips is limited. The forward and the adjoint mapping of the reflectivity to the local Radon domain and back are done through 3D Fourier-based discrete Radon transform operators. The sparseness is enforced by applying weights to the Radon domain components which either vary with the amplitudes of the local dips or are thresholded at given quantiles. Numerical tests on synthetic and field data validate the effectiveness of the proposed approach in producing images with improved SNR and reduced aliasing artifacts when compared with standard RTM or LSRTM.

Reassessment of the hydrocarbons in Prince William Sound and the Gulf of Alaska : identifying the source using partial least squares

International Nuclear Information System (INIS)

Mudge, S.M.

2001-01-01

Since the Exxon Valdez oil spill in Prince William Sound, Alaska there has been much discussion regarding the clean-up and long term fate of the oil. There has also been debate regarding the origin of the background hydrocarbons present within Prince William Sound (PWS) and the Gulf of Alaska (GoA). There is evidence that background (pre-spill) hydrocarbons may come from either nearby coal deposits or from natural oil seeps and eroding source rocks in the region. This paper presented a study in which the multivariate statistical methodology of the Partial Least Squares (PLS) was used to reassess the percentage contribution of coal, seep oil, shales and rivers to the hydrocarbon loading in the GoA. Data was provided by researchers at the National Ocean and Atmospheric Administration (NOAA) and the Bowdoin College, for Exxon. The data was analysed using selected sites as sources in order to develop signatures. The signatures were based on 40 and 136 compounds respectively, including the polyaromatic hydrocarbon (PAH) and terpane biomarkers from the Exxon data. The key components describing the sources were fitted to the data for other sites around the GoA to determine the proportion of the variability described by each source. The large complex datasets can be used to develop complex fingerprints for sources rather than using relatively simplistic ratios between selected compounds. The results indicate that 30 per cent of the signature is common between each source and that the small PAHs are the best diagnostic compounds in the model for the oil signature and the large PAHs are good for coal. Naphthalene, methyl and dimethyl naphthalene are the best markers for the seep oil signature. For the pre-spill background, coals and shales are best defined by the larger PAHs such as perylene and benzo(ghi)perylene. In general, the average partitioning between the two sources across all the sampling sites within the region indicated that 53 per cent is attributable to the

Discrete least squares polynomial approximation with random evaluations - application to PDEs with Random parameters

KAUST Repository

Nobile, Fabio

2015-01-01

the parameter-to-solution map u(y) from random noise-free or noisy observations in random points by discrete least squares on polynomial spaces. The noise-free case is relevant whenever the technique is used to construct metamodels, based on polynomial

Modeling geochemical datasets for source apportionment: Comparison of least square regression and inversion approaches.

Digital Repository Service at National Institute of Oceanography (India)

Tripathy, G.R.; Das, Anirban.

used methods, the Least Square Regression (LSR) and Inverse Modeling (IM), to determine the contributions of (i) solutes from different sources to global river water, and (ii) various rocks to a glacial till. The purpose of this exercise is to compare...

Speed control of induction motor using fuzzy recursive least squares technique

Directory of Open Access Journals (Sweden)

Santiago Sánchez

2008-12-01

Full Text Available A simple adaptive controller design is presented in this paper, the control system uses the adaptive fuzzy logic, sliding modes and is trained with the recursive least squares technique. The problem of parameter variation is solved with the adaptive controller; the use of an internal PI regulator produces that the speed control of the induction motor be achieved by the stator currents instead the input voltage. The rotor-flux oriented coordinated system model is used to develop and test the control system.

Power system state estimation using an iteratively reweighted least squares method for sequential L{sub 1}-regression

Energy Technology Data Exchange (ETDEWEB)

Jabr, R.A. [Electrical, Computer and Communication Engineering Department, Notre Dame University, P.O. Box 72, Zouk Mikhael, Zouk Mosbeh (Lebanon)

2006-02-15

This paper presents an implementation of the least absolute value (LAV) power system state estimator based on obtaining a sequence of solutions to the L{sub 1}-regression problem using an iteratively reweighted least squares (IRLS{sub L1}) method. The proposed implementation avoids reformulating the regression problem into standard linear programming (LP) form and consequently does not require the use of common methods of LP, such as those based on the simplex method or interior-point methods. It is shown that the IRLS{sub L1} method is equivalent to solving a sequence of linear weighted least squares (LS) problems. Thus, its implementation presents little additional effort since the sparse LS solver is common to existing LS state estimators. Studies on the termination criteria of the IRLS{sub L1} method have been carried out to determine a procedure for which the proposed estimator is more computationally efficient than a previously proposed non-linear iteratively reweighted least squares (IRLS) estimator. Indeed, it is revealed that the proposed method is a generalization of the previously reported IRLS estimator, but is based on more rigorous theory. (author)

Study of the convergence behavior of the complex kernel least mean square algorithm.

Science.gov (United States)

Paul, Thomas K; Ogunfunmi, Tokunbo

2013-09-01

The complex kernel least mean square (CKLMS) algorithm is recently derived and allows for online kernel adaptive learning for complex data. Kernel adaptive methods can be used in finding solutions for neural network and machine learning applications. The derivation of CKLMS involved the development of a modified Wirtinger calculus for Hilbert spaces to obtain the cost function gradient. We analyze the convergence of the CKLMS with different kernel forms for complex data. The expressions obtained enable us to generate theory-predicted mean-square error curves considering the circularity of the complex input signals and their effect on nonlinear learning. Simulations are used for verifying the analysis results.

A weak Galerkin least-squares finite element method for div-curl systems

Science.gov (United States)

Li, Jichun; Ye, Xiu; Zhang, Shangyou

2018-06-01

In this paper, we introduce a weak Galerkin least-squares method for solving div-curl problem. This finite element method leads to a symmetric positive definite system and has the flexibility to work with general meshes such as hybrid mesh, polytopal mesh and mesh with hanging nodes. Error estimates of the finite element solution are derived. The numerical examples demonstrate the robustness and flexibility of the proposed method.

Least Squares Adjustment: Linear and Nonlinear Weighted Regression Analysis

DEFF Research Database (Denmark)

Nielsen, Allan Aasbjerg

2007-01-01

This note primarily describes the mathematics of least squares regression analysis as it is often used in geodesy including land surveying and satellite positioning applications. In these fields regression is often termed adjustment. The note also contains a couple of typical land surveying...... and satellite positioning application examples. In these application areas we are typically interested in the parameters in the model typically 2- or 3-D positions and not in predictive modelling which is often the main concern in other regression analysis applications. Adjustment is often used to obtain...... the clock error) and to obtain estimates of the uncertainty with which the position is determined. Regression analysis is used in many other fields of application both in the natural, the technical and the social sciences. Examples may be curve fitting, calibration, establishing relationships between...

Online Least Squares One-Class Support Vector Machines-Based Abnormal Visual Event Detection

Directory of Open Access Journals (Sweden)

Tian Wang

2013-12-01

Full Text Available The abnormal event detection problem is an important subject in real-time video surveillance. In this paper, we propose a novel online one-class classification algorithm, online least squares one-class support vector machine (online LS-OC-SVM, combined with its sparsified version (sparse online LS-OC-SVM. LS-OC-SVM extracts a hyperplane as an optimal description of training objects in a regularized least squares sense. The online LS-OC-SVM learns a training set with a limited number of samples to provide a basic normal model, then updates the model through remaining data. In the sparse online scheme, the model complexity is controlled by the coherence criterion. The online LS-OC-SVM is adopted to handle the abnormal event detection problem. Each frame of the video is characterized by the covariance matrix descriptor encoding the moving information, then is classified into a normal or an abnormal frame. Experiments are conducted, on a two-dimensional synthetic distribution dataset and a benchmark video surveillance dataset, to demonstrate the promising results of the proposed online LS-OC-SVM method.

Equalization of Loudspeaker and Room Responses Using Kautz Filters: Direct Least Squares Design

Directory of Open Access Journals (Sweden)

Karjalainen Matti

2007-01-01

Full Text Available DSP-based correction of loudspeaker and room responses is becoming an important part of improving sound reproduction. Such response equalization (EQ is based on using a digital filter in cascade with the reproduction channel to counteract the response errors introduced by loudspeakers and room acoustics. Several FIR and IIR filter design techniques have been proposed for equalization purposes. In this paper we investigate Kautz filters, an interesting class of IIR filters, from the point of view of direct least squares EQ design. Kautz filters can be seen as generalizations of FIR filters and their frequency-warped counterparts. They provide a flexible means to obtain desired frequency resolution behavior, which allows low filter orders even for complex corrections. Kautz filters have also the desirable property to avoid inverting dips in transfer function to sharp and long-ringing resonances in the equalizer. Furthermore, the direct least squares design is applicable to nonminimum-phase EQ design and allows using a desired target response. The proposed method is demonstrated by case examples with measured and synthetic loudspeaker and room responses.

Hourly cooling load forecasting using time-indexed ARX models with two-stage weighted least squares regression

International Nuclear Information System (INIS)

Guo, Yin; Nazarian, Ehsan; Ko, Jeonghan; Rajurkar, Kamlakar

2014-01-01

Highlights: • Developed hourly-indexed ARX models for robust cooling-load forecasting. • Proposed a two-stage weighted least-squares regression approach. • Considered the effect of outliers as well as trend of cooling load and weather patterns. • Included higher order terms and day type patterns in the forecasting models. • Demonstrated better accuracy compared with some ARX and ANN models. - Abstract: This paper presents a robust hourly cooling-load forecasting method based on time-indexed autoregressive with exogenous inputs (ARX) models, in which the coefficients are estimated through a two-stage weighted least squares regression. The prediction method includes a combination of two separate time-indexed ARX models to improve prediction accuracy of the cooling load over different forecasting periods. The two-stage weighted least-squares regression approach in this study is robust to outliers and suitable for fast and adaptive coefficient estimation. The proposed method is tested on a large-scale central cooling system in an academic institution. The numerical case studies show the proposed prediction method performs better than some ANN and ARX forecasting models for the given test data set

Strong source heat transfer simulations based on a GalerKin/Gradient - least - squares method

International Nuclear Information System (INIS)

Franca, L.P.; Carmo, E.G.D. do.

1989-05-01

Heat conduction problems with temperature-dependent strong sources are modeled by an equation with a laplacian term, a linear term and a given source distribution term. When the linear-temperature-dependent source term is much larger than the laplacian term, we have a singular perturbation problem. In this case, boundary layers are formed to satisfy the Dirichlet boundary conditions. Although this is an elliptic equation, the standard Galerkin method solution is contaminated by spurious oscillations in the neighborhood of the boundary layers. Herein we employ a Galerkin/Gradient-least-squares method which eliminates all pathological phenomena of the Galerkin method. The method is constructed by adding to the Galerkin method a mesh-dependent term obtained by the least-squares form of the gradient of the Euler-Lagrange equation. Error estimates, numerical simulations in one-and multi-dimensions are given that attest the good stability and accuracy properties of the method [pt

From least squares to multilevel modeling: A graphical introduction to Bayesian inference

Science.gov (United States)

Loredo, Thomas J.

2016-01-01

This tutorial presentation will introduce some of the key ideas and techniques involved in applying Bayesian methods to problems in astrostatistics. The focus will be on the big picture: understanding the foundations (interpreting probability, Bayes's theorem, the law of total probability and marginalization), making connections to traditional methods (propagation of errors, least squares, chi-squared, maximum likelihood, Monte Carlo simulation), and highlighting problems where a Bayesian approach can be particularly powerful (Poisson processes, density estimation and curve fitting with measurement error). The "graphical" component of the title reflects an emphasis on pictorial representations of some of the math, but also on the use of graphical models (multilevel or hierarchical models) for analyzing complex data. Code for some examples from the talk will be available to participants, in Python and in the Stan probabilistic programming language.

Least Squares Estimate of the Initial Phases in STFT based Speech Enhancement

DEFF Research Database (Denmark)

Nørholm, Sidsel Marie; Krawczyk-Becker, Martin; Gerkmann, Timo

2015-01-01

In this paper, we consider single-channel speech enhancement in the short time Fourier transform (STFT) domain. We suggest to improve an STFT phase estimate by estimating the initial phases. The method is based on the harmonic model and a model for the phase evolution over time. The initial phases...... are estimated by setting up a least squares problem between the noisy phase and the model for phase evolution. Simulations on synthetic and speech signals show a decreased error on the phase when an estimate of the initial phase is included compared to using the noisy phase as an initialisation. The error...... on the phase is decreased at input SNRs from -10 to 10 dB. Reconstructing the signal using the clean amplitude, the mean squared error is decreased and the PESQ score is increased....

Estimasi Kanal Akustik Bawah Air Untuk Perairan Dangkal Menggunakan Metode Least Square (LS dan Minimum Mean Square Error (MMSE

Directory of Open Access Journals (Sweden)

Mardawia M Panrereng

2015-06-01

Full Text Available Dalam beberapa tahun terakhir, sistem komunikasi akustik bawah air banyak dikembangkan oleh beberapa peneliti. Besarnya tantangan yang dihadapi membuat para peneliti semakin tertarik untuk mengembangkan penelitian dibidang ini. Kanal bawah air merupakan media komunikasi yang sulit karena adanya attenuasi, absorption, dan multipath yang disebabkan oleh gerakan gelombang air setiap saat. Untuk perairan dangkal, multipath disebabkan adanya pantulan dari permukaan dan dasar laut. Kebutuhan pengiriman data cepat dengan bandwidth terbatas menjadikan Ortogonal Frequency Division Multiplexing (OFDM sebagai solusi untuk komunikasi transmisi tinggi dengan modulasi menggunakan Binary Phase-Shift Keying (BPSK. Estimasi kanal bertujuan untuk mengetahui karakteristik respon impuls kanal propagasi dengan mengirimkan pilot simbol. Pada estimasi kanal menggunakan metode Least Square (LS nilai Mean Square Error (MSE yang diperoleh cenderung lebih besar dari metode estimasi kanal menggunakan metode Minimum Mean Square (MMSE. Hasil kinerja estimasi kanal berdasarkan perhitungan Bit Error Rate (BER untuk estimasi kanal menggunakan metode LS dan metode MMSE tidak menunjukkan perbedaan yang signifikan yaitu berselisih satu SNR untuk setiap metode estimasi kanal yang digunakan.

A negative-norm least-squares method for time-harmonic Maxwell equations

KAUST Repository

Copeland, Dylan M.

2012-04-01

This paper presents and analyzes a negative-norm least-squares finite element discretization method for the dimension-reduced time-harmonic Maxwell equations in the case of axial symmetry. The reduced equations are expressed in cylindrical coordinates, and the analysis consequently involves weighted Sobolev spaces based on the degenerate radial weighting. The main theoretical results established in this work include existence and uniqueness of the continuous and discrete formulations and error estimates for simple finite element functions. Numerical experiments confirm the error estimates and efficiency of the method for piecewise constant coefficients. © 2011 Elsevier Inc.

And still, a new beginning: the Galerkin least-squares gradient method

International Nuclear Information System (INIS)

Franca, L.P.; Carmo, E.G.D. do

1988-08-01

A finite element method is proposed to solve a scalar singular diffusion problem. The method is constructed by adding to the standard Galerkin a mesh-dependent term obtained by taking the gradient of the Euler-lagrange equation and multiplying it by its least-squares. For the one-dimensional homogeneous problem the method is designed to develop nodal exact solution. An error estimate shows that the method converges optimaly for any value of the singular parameter. Numerical results demonstrate the good stability and accuracy properties of the method. (author) [pt

A new approach to age-period-cohort analysis using partial least squares regression: the trend in blood pressure in the Glasgow Alumni cohort.

Directory of Open Access Journals (Sweden)

Yu-Kang Tu

2011-04-01

Full Text Available Due to a problem of identification, how to estimate the distinct effects of age, time period and cohort has been a controversial issue in the analysis of trends in health outcomes in epidemiology. In this study, we propose a novel approach, partial least squares (PLS analysis, to separate the effects of age, period, and cohort. Our example for illustration is taken from the Glasgow Alumni cohort. A total of 15,322 students (11,755 men and 3,567 women received medical screening at the Glasgow University between 1948 and 1968. The aim is to investigate the secular trends in blood pressure over 1925 and 1950 while taking into account the year of examination and age at examination. We excluded students born before 1925 or aged over 25 years at examination and those with missing values in confounders from the analyses, resulting in 12,546 and 12,516 students for analysis of systolic and diastolic blood pressure, respectively. PLS analysis shows that both systolic and diastolic blood pressure increased with students' age, and students born later had on average lower blood pressure (SBP: -0.17 mmHg/per year [95% confidence intervals: -0.19 to -0.15] for men and -0.25 [-0.28 to -0.22] for women; DBP: -0.14 [-0.15 to -0.13] for men; -0.09 [-0.11 to -0.07] for women. PLS also shows a decreasing trend in blood pressure over the examination period. As identification is not a problem for PLS, it provides a flexible modelling strategy for age-period-cohort analysis. More emphasis is then required to clarify the substantive and conceptual issues surrounding the definitions and interpretations of age, period and cohort effects.

Exact estimation of biodiesel cetane number (CN) from its fatty acid methyl esters (FAMEs) profile using partial least square (PLS) adapted by artificial neural network (ANN)

International Nuclear Information System (INIS)

Hosseinpour, Soleiman; Aghbashlo, Mortaza; Tabatabaei, Meisam; Khalife, Esmail

2016-01-01

Highlights: • Estimating the biodiesel CN from its FAMEs profile using ANN-based PLS approach. • Comparing the capability of ANN-adapted PLS approach with the standard PLS model. • Exact prediction of biodiesel CN from it FAMEs profile using ANN-based PLS method. • Developing an easy-to-use software using ANN-PLS model for computing the biodiesel CN. - Abstract: Cetane number (CN) is among the most important properties of biodiesel because it quantifies combustion speed or in better words, ignition quality. Experimental measurement of biodiesel CN is rather laborious and expensive. However, the high proportionality of biodiesel fatty acid methyl esters (FAMEs) profile with its CN is very appealing to develop straightforward and inexpensive computerized tools for biodiesel CN estimation. Unfortunately, correlating the chemical structure of biodiesel to its CN using conventional statistical and mathematical approaches is very difficult. To solve this issue, partial least square (PLS) adapted by artificial neural network (ANN) was introduced and examined herein as an innovative approach for the exact estimation of biodiesel CN from its FAMEs profile. In the proposed approach, ANN paradigm was used for modeling the inner relation between the input and the output PLS score vectors. In addition, the capability of the developed method in predicting the biodiesel CN was compared with the basal PLS method. The accuracy of the developed approaches for computing the biodiesel CN was assessed using three statistical criteria, i.e., coefficient of determination (R"2), mean-squared error (MSE), and percentage error (PE). The ANN-adapted PLS method predicted the biodiesel CN with an R"2 value higher than 0.99 demonstrating the fidelity of the developed model over the classical PLS method with a markedly lower R"2 value of about 0.85. In order to facilitate the use of the proposed model, an easy-to-use computer program was also developed on the basis of ANN-adapted PLS

Parametric output-only identification of time-varying structures using a kernel recursive extended least squares TARMA approach

Science.gov (United States)

Ma, Zhi-Sai; Liu, Li; Zhou, Si-Da; Yu, Lei; Naets, Frank; Heylen, Ward; Desmet, Wim

2018-01-01

The problem of parametric output-only identification of time-varying structures in a recursive manner is considered. A kernelized time-dependent autoregressive moving average (TARMA) model is proposed by expanding the time-varying model parameters onto the basis set of kernel functions in a reproducing kernel Hilbert space. An exponentially weighted kernel recursive extended least squares TARMA identification scheme is proposed, and a sliding-window technique is subsequently applied to fix the computational complexity for each consecutive update, allowing the method to operate online in time-varying environments. The proposed sliding-window exponentially weighted kernel recursive extended least squares TARMA method is employed for the identification of a laboratory time-varying structure consisting of a simply supported beam and a moving mass sliding on it. The proposed method is comparatively assessed against an existing recursive pseudo-linear regression TARMA method via Monte Carlo experiments and shown to be capable of accurately tracking the time-varying dynamics. Furthermore, the comparisons demonstrate the superior achievable accuracy, lower computational complexity and enhanced online identification capability of the proposed kernel recursive extended least squares TARMA approach.

Least Squares Shadowing sensitivity analysis of chaotic limit cycle oscillations

Energy Technology Data Exchange (ETDEWEB)

Wang, Qiqi, E-mail: qiqi@mit.edu; Hu, Rui, E-mail: hurui@mit.edu; Blonigan, Patrick, E-mail: blonigan@mit.edu

2014-06-15

The adjoint method, among other sensitivity analysis methods, can fail in chaotic dynamical systems. The result from these methods can be too large, often by orders of magnitude, when the result is the derivative of a long time averaged quantity. This failure is known to be caused by ill-conditioned initial value problems. This paper overcomes this failure by replacing the initial value problem with the well-conditioned “least squares shadowing (LSS) problem”. The LSS problem is then linearized in our sensitivity analysis algorithm, which computes a derivative that converges to the derivative of the infinitely long time average. We demonstrate our algorithm in several dynamical systems exhibiting both periodic and chaotic oscillations.

3D plane-wave least-squares Kirchhoff migration

KAUST Repository

Wang, Xin

2014-08-05

A three dimensional least-squares Kirchhoff migration (LSM) is developed in the prestack plane-wave domain to increase the quality of migration images and the computational efficiency. Due to the limitation of current 3D marine acquisition geometries, a cylindrical-wave encoding is adopted for the narrow azimuth streamer data. To account for the mispositioning of reflectors due to errors in the velocity model, a regularized LSM is devised so that each plane-wave or cylindrical-wave gather gives rise to an individual migration image, and a regularization term is included to encourage the similarities between the migration images of similar encoding schemes. Both synthetic and field results show that: 1) plane-wave or cylindrical-wave encoding LSM can achieve both computational and IO saving, compared to shot-domain LSM, however, plane-wave LSM is still about 5 times more expensive than plane-wave migration; 2) the regularized LSM is more robust compared to LSM with one reflectivity model common for all the plane-wave or cylindrical-wave gathers.

Modeling and forecasting monthly movement of annual average solar insolation based on the least-squares Fourier-model

International Nuclear Information System (INIS)

Yang, Zong-Chang

2014-01-01

Highlights: • Introduce a finite Fourier-series model for evaluating monthly movement of annual average solar insolation. • Present a forecast method for predicting its movement based on the extended Fourier-series model in the least-squares. • Shown its movement is well described by a low numbers of harmonics with approximately 6-term Fourier series. • Predict its movement most fitting with less than 6-term Fourier series. - Abstract: Solar insolation is one of the most important measurement parameters in many fields. Modeling and forecasting monthly movement of annual average solar insolation is of increasingly importance in areas of engineering, science and economics. In this study, Fourier-analysis employing finite Fourier-series is proposed for evaluating monthly movement of annual average solar insolation and extended in the least-squares for forecasting. The conventional Fourier analysis, which is the most common analysis method in the frequency domain, cannot be directly applied for prediction. Incorporated with the least-square method, the introduced Fourier-series model is extended to predict its movement. The extended Fourier-series forecasting model obtains its optimums Fourier coefficients in the least-square sense based on its previous monthly movements. The proposed method is applied to experiments and yields satisfying results in the different cities (states). It is indicated that monthly movement of annual average solar insolation is well described by a low numbers of harmonics with approximately 6-term Fourier series. The extended Fourier forecasting model predicts the monthly movement of annual average solar insolation most fitting with less than 6-term Fourier series

New recursive-least-squares algorithms for nonlinear active control of sound and vibration using neural networks.

Science.gov (United States)

Bouchard, M

2001-01-01

In recent years, a few articles describing the use of neural networks for nonlinear active control of sound and vibration were published. Using a control structure with two multilayer feedforward neural networks (one as a nonlinear controller and one as a nonlinear plant model), steepest descent algorithms based on two distinct gradient approaches were introduced for the training of the controller network. The two gradient approaches were sometimes called the filtered-x approach and the adjoint approach. Some recursive-least-squares algorithms were also introduced, using the adjoint approach. In this paper, an heuristic procedure is introduced for the development of recursive-least-squares algorithms based on the filtered-x and the adjoint gradient approaches. This leads to the development of new recursive-least-squares algorithms for the training of the controller neural network in the two networks structure. These new algorithms produce a better convergence performance than previously published algorithms. Differences in the performance of algorithms using the filtered-x and the adjoint gradient approaches are discussed in the paper. The computational load of the algorithms discussed in the paper is evaluated for multichannel systems of nonlinear active control. Simulation results are presented to compare the convergence performance of the algorithms, showing the convergence gain provided by the new algorithms.

A novel least squares support vector machine ensemble model for NOx emission prediction of a coal-fired boiler

International Nuclear Information System (INIS)

Lv, You; Liu, Jizhen; Yang, Tingting; Zeng, Deliang

2013-01-01

Real operation data of power plants are inclined to be concentrated in some local areas because of the operators’ habits and control system design. In this paper, a novel least squares support vector machine (LSSVM)-based ensemble learning paradigm is proposed to predict NO x emission of a coal-fired boiler using real operation data. In view of the plant data characteristics, a soft fuzzy c-means cluster algorithm is proposed to decompose the original data and guarantee the diversity of individual learners. Subsequently the base LSSVM is trained in each individual subset to solve the subtask. Finally, partial least squares (PLS) is applied as the combination strategy to eliminate the collinear and redundant information of the base learners. Considering that the fuzzy membership also has an effect on the ensemble output, the membership degree is added as one of the variables of the combiner. The single LSSVM and other ensemble models using different decomposition and combination strategies are also established to make a comparison. The result shows that the new soft FCM-LSSVM-PLS ensemble method can predict NO x emission accurately. Besides, because of the divide and conquer frame, the total time consumed in the searching the parameters and training also decreases evidently. - Highlights: • A novel LSSVM ensemble model to predict NO x emissions is presented. • LSSVM is used as the base learner and PLS is employed as the combiner. • The model is applied to process data from a 660 MW coal-fired boiler. • The generalization ability of the model is enhanced. • The time consuming in training and searching the parameters decreases sharply

A Bayesian least-squares support vector machine method for predicting the remaining useful life of a microwave component

Directory of Open Access Journals (Sweden)

Fuqiang Sun

2017-01-01

Full Text Available Rapid and accurate lifetime prediction of critical components in a system is important to maintaining the system’s reliable operation. To this end, many lifetime prediction methods have been developed to handle various failure-related data collected in different situations. Among these methods, machine learning and Bayesian updating are the most popular ones. In this article, a Bayesian least-squares support vector machine method that combines least-squares support vector machine with Bayesian inference is developed for predicting the remaining useful life of a microwave component. A degradation model describing the change in the component’s power gain over time is developed, and the point and interval remaining useful life estimates are obtained considering a predefined failure threshold. In our case study, the radial basis function neural network approach is also implemented for comparison purposes. The results indicate that the Bayesian least-squares support vector machine method is more precise and stable in predicting the remaining useful life of this type of components.

Recursive least squares method of regression coefficients estimation as a special case of Kalman filter

Science.gov (United States)

Borodachev, S. M.

2016-06-01

The simple derivation of recursive least squares (RLS) method equations is given as special case of Kalman filter estimation of a constant system state under changing observation conditions. A numerical example illustrates application of RLS to multicollinearity problem.

Gravity Search Algorithm hybridized Recursive Least Square method for power system harmonic estimation

Directory of Open Access Journals (Sweden)

Santosh Kumar Singh

2017-06-01

Full Text Available This paper presents a new hybrid method based on Gravity Search Algorithm (GSA and Recursive Least Square (RLS, known as GSA-RLS, to solve the harmonic estimation problems in the case of time varying power signals in presence of different noises. GSA is based on the Newton’s law of gravity and mass interactions. In the proposed method, the searcher agents are a collection of masses that interact with each other using Newton’s laws of gravity and motion. The basic GSA algorithm strategy is combined with RLS algorithm sequentially in an adaptive way to update the unknown parameters (weights of the harmonic signal. Simulation and practical validation are made with the experimentation of the proposed algorithm with real time data obtained from a heavy paper industry. A comparative performance of the proposed algorithm is evaluated with other recently reported algorithms like, Differential Evolution (DE, Particle Swarm Optimization (PSO, Bacteria Foraging Optimization (BFO, Fuzzy-BFO (F-BFO hybridized with Least Square (LS and BFO hybridized with RLS algorithm, which reveals that the proposed GSA-RLS algorithm is the best in terms of accuracy, convergence and computational time.

Extreme Learning Machine and Moving Least Square Regression Based Solar Panel Vision Inspection

Directory of Open Access Journals (Sweden)

Heng Liu

2017-01-01

Full Text Available In recent years, learning based machine intelligence has aroused a lot of attention across science and engineering. Particularly in the field of automatic industry inspection, the machine learning based vision inspection plays a more and more important role in defect identification and feature extraction. Through learning from image samples, many features of industry objects, such as shapes, positions, and orientations angles, can be obtained and then can be well utilized to determine whether there is defect or not. However, the robustness and the quickness are not easily achieved in such inspection way. In this work, for solar panel vision inspection, we present an extreme learning machine (ELM and moving least square regression based approach to identify solder joint defect and detect the panel position. Firstly, histogram peaks distribution (HPD and fractional calculus are applied for image preprocessing. Then an ELM-based defective solder joints identification is discussed in detail. Finally, moving least square regression (MLSR algorithm is introduced for solar panel position determination. Experimental results and comparisons show that the proposed ELM and MLSR based inspection method is efficient not only in detection accuracy but also in processing speed.

Linear support vector regression and partial least squares chemometric models for determination of Hydrochlorothiazide and Benazepril hydrochloride in presence of related impurities: A comparative study

Science.gov (United States)

Naguib, Ibrahim A.; Abdelaleem, Eglal A.; Draz, Mohammed E.; Zaazaa, Hala E.

2014-09-01

Partial least squares regression (PLSR) and support vector regression (SVR) are two popular chemometric models that are being subjected to a comparative study in the presented work. The comparison shows their characteristics via applying them to analyze Hydrochlorothiazide (HCZ) and Benazepril hydrochloride (BZ) in presence of HCZ impurities; Chlorothiazide (CT) and Salamide (DSA) as a case study. The analysis results prove to be valid for analysis of the two active ingredients in raw materials and pharmaceutical dosage form through handling UV spectral data in range (220-350 nm). For proper analysis a 4 factor 4 level experimental design was established resulting in a training set consisting of 16 mixtures containing different ratios of interfering species. An independent test set consisting of 8 mixtures was used to validate the prediction ability of the suggested models. The results presented indicate the ability of mentioned multivariate calibration models to analyze HCZ and BZ in presence of HCZ impurities CT and DSA with high selectivity and accuracy of mean percentage recoveries of (101.01 ± 0.80) and (100.01 ± 0.87) for HCZ and BZ respectively using PLSR model and of (99.78 ± 0.80) and (99.85 ± 1.08) for HCZ and BZ respectively using SVR model. The analysis results of the dosage form were statistically compared to the reference HPLC method with no significant differences regarding accuracy and precision. SVR model gives more accurate results compared to PLSR model and show high generalization ability, however, PLSR still keeps the advantage of being fast to optimize and implement.

Locally Linear Embedding of Local Orthogonal Least Squares Images for Face Recognition

Science.gov (United States)

Hafizhelmi Kamaru Zaman, Fadhlan

2018-03-01

Dimensionality reduction is very important in face recognition since it ensures that high-dimensionality data can be mapped to lower dimensional space without losing salient and integral facial information. Locally Linear Embedding (LLE) has been previously used to serve this purpose, however, the process of acquiring LLE features requires high computation and resources. To overcome this limitation, we propose a locally-applied Local Orthogonal Least Squares (LOLS) model can be used as initial feature extraction before the application of LLE. By construction of least squares regression under orthogonal constraints we can preserve more discriminant information in the local subspace of facial features while reducing the overall features into a more compact form that we called LOLS images. LLE can then be applied on the LOLS images to maps its representation into a global coordinate system of much lower dimensionality. Several experiments carried out using publicly available face datasets such as AR, ORL, YaleB, and FERET under Single Sample Per Person (SSPP) constraint demonstrates that our proposed method can reduce the time required to compute LLE features while delivering better accuracy when compared to when either LLE or OLS alone is used. Comparison against several other feature extraction methods and more recent feature-learning method such as state-of-the-art Convolutional Neural Networks (CNN) also reveal the superiority of the proposed method under SSPP constraint.

Fast Combinatorial Algorithm for the Solution of Linearly Constrained Least Squares Problems

Science.gov (United States)

Van Benthem, Mark H.; Keenan, Michael R.

2008-11-11

A fast combinatorial algorithm can significantly reduce the computational burden when solving general equality and inequality constrained least squares problems with large numbers of observation vectors. The combinatorial algorithm provides a mathematically rigorous solution and operates at great speed by reorganizing the calculations to take advantage of the combinatorial nature of the problems to be solved. The combinatorial algorithm exploits the structure that exists in large-scale problems in order to minimize the number of arithmetic operations required to obtain a solution.

Stable Galerkin versus equal-order Galerkin least-squares elements for the stokes flow problem

International Nuclear Information System (INIS)

Franca, L.P.; Frey, S.L.; Sampaio, R.

1989-11-01

Numerical experiments are performed for the stokes flow problem employing a stable Galerkin method and a Galerkin/Least-squares method with equal-order elements. Error estimates for the methods tested herein are reviewed. The numerical results presented attest the good stability properties of all methods examined herein. (A.C.A.S.) [pt

Cognitive assessment in mathematics with the least squares distance method.

Science.gov (United States)

Ma, Lin; Çetin, Emre; Green, Kathy E

2012-01-01

This study investigated the validation of comprehensive cognitive attributes of an eighth-grade mathematics test using the least squares distance method and compared performance on attributes by gender and region. A sample of 5,000 students was randomly selected from the data of the 2005 Turkish national mathematics assessment of eighth-grade students. Twenty-five math items were assessed for presence or absence of 20 cognitive attributes (content, cognitive processes, and skill). Four attributes were found to be misspecified or nonpredictive. However, results demonstrated the validity of cognitive attributes in terms of the revised set of 17 attributes. The girls had similar performance on the attributes as the boys. The students from the two eastern regions significantly underperformed on the most attributes.

Medium Band Least Squares Estimation of Fractional Cointegration in the Presence of Low-Frequency Contamination

DEFF Research Database (Denmark)

Christensen, Bent Jesper; Varneskov, Rasmus T.

band least squares (MBLS) estimator uses sample dependent trimming of frequencies in the vicinity of the origin to account for such contamination. Consistency and asymptotic normality of the MBLS estimator are established, a feasible inference procedure is proposed, and rigorous tools for assessing...

Multisource least-squares migration of marine streamer and land data with frequency-division encoding

KAUST Repository

Huang, Yunsong; Schuster, Gerard T.

2012-01-01

Multisource migration of phase-encoded supergathers has shown great promise in reducing the computational cost of conventional migration. The accompanying crosstalk noise, in addition to the migration footprint, can be reduced by least-squares inversion. But the application of this approach to marine streamer data is hampered by the mismatch between the limited number of live traces/shot recorded in the field and the pervasive number of traces generated by the finite-difference modelling method. This leads to a strong mismatch in the misfit function and results in strong artefacts (crosstalk) in the multisource least-squares migration image. To eliminate this noise, we present a frequency-division multiplexing (FDM) strategy with iterative least-squares migration (ILSM) of supergathers. The key idea is, at each ILSM iteration, to assign a unique frequency band to each shot gather. In this case there is no overlap in the crosstalk spectrum of each migrated shot gather m(x, ω i), so the spectral crosstalk product m(x, ω i)m(x, ω j) =δ i, j is zero, unless i=j. Our results in applying this method to 2D marine data for a SEG/EAGE salt model show better resolved images than standard migration computed at about 1/10 th of the cost. Similar results are achieved after applying this method to synthetic data for a 3D SEG/EAGE salt model, except the acquisition geometry is similar to that of a marine OBS survey. Here, the speedup of this method over conventional migration is more than 10. We conclude that multisource migration for a marine geometry can be successfully achieved by a frequency-division encoding strategy, as long as crosstalk-prone sources are segregated in their spectral content. This is both the strength and the potential limitation of this method. © 2012 European Association of Geoscientists & Engineers.

Multisource least-squares migration of marine streamer and land data with frequency-division encoding

KAUST Repository

Huang, Yunsong

2012-05-22

Multisource migration of phase-encoded supergathers has shown great promise in reducing the computational cost of conventional migration. The accompanying crosstalk noise, in addition to the migration footprint, can be reduced by least-squares inversion. But the application of this approach to marine streamer data is hampered by the mismatch between the limited number of live traces/shot recorded in the field and the pervasive number of traces generated by the finite-difference modelling method. This leads to a strong mismatch in the misfit function and results in strong artefacts (crosstalk) in the multisource least-squares migration image. To eliminate this noise, we present a frequency-division multiplexing (FDM) strategy with iterative least-squares migration (ILSM) of supergathers. The key idea is, at each ILSM iteration, to assign a unique frequency band to each shot gather. In this case there is no overlap in the crosstalk spectrum of each migrated shot gather m(x, ω i), so the spectral crosstalk product m(x, ω i)m(x, ω j) =δ i, j is zero, unless i=j. Our results in applying this method to 2D marine data for a SEG/EAGE salt model show better resolved images than standard migration computed at about 1/10 th of the cost. Similar results are achieved after applying this method to synthetic data for a 3D SEG/EAGE salt model, except the acquisition geometry is similar to that of a marine OBS survey. Here, the speedup of this method over conventional migration is more than 10. We conclude that multisource migration for a marine geometry can be successfully achieved by a frequency-division encoding strategy, as long as crosstalk-prone sources are segregated in their spectral content. This is both the strength and the potential limitation of this method. © 2012 European Association of Geoscientists & Engineers.

Elastic Model Transitions Using Quadratic Inequality Constrained Least Squares

Science.gov (United States)

Orr, Jeb S.

2012-01-01

A technique is presented for initializing multiple discrete finite element model (FEM) mode sets for certain types of flight dynamics formulations that rely on superposition of orthogonal modes for modeling the elastic response. Such approaches are commonly used for modeling launch vehicle dynamics, and challenges arise due to the rapidly time-varying nature of the rigid-body and elastic characteristics. By way of an energy argument, a quadratic inequality constrained least squares (LSQI) algorithm is employed to e ect a smooth transition from one set of FEM eigenvectors to another with no requirement that the models be of similar dimension or that the eigenvectors be correlated in any particular way. The physically unrealistic and controversial method of eigenvector interpolation is completely avoided, and the discrete solution approximates that of the continuously varying system. The real-time computational burden is shown to be negligible due to convenient features of the solution method. Simulation results are presented, and applications to staging and other discontinuous mass changes are discussed

Least-squares fit of a linear combination of functions

Directory of Open Access Journals (Sweden)

Niraj Upadhyay

2013-12-01

Full Text Available We propose that given a data-set $S=\\{(x_i,y_i/i=1,2,{\\dots}n\\}$ and real-valued functions $\\{f_\\alpha(x/\\alpha=1,2,{\\dots}m\\},$ the least-squares fit vector $A=\\{a_\\alpha\\}$ for $y=\\sum_\\alpha a_{\\alpha}f_\\alpha(x$ is $A = (F^TF^{-1}F^TY$ where $[F_{i\\alpha}]=[f_\\alpha(x_i].$ We test this formalism by deriving the algebraic expressions of the regression coefficients in $y = ax + b$ and in $y = ax^2 + bx + c.$ As a practical application, we successfully arrive at the coefficients in the semi-empirical mass formula of nuclear physics. The formalism is {\\it generic} - it has the potential of being applicable to any {\\it type} of $\\{x_i\\}$ as long as there exist appropriate $\\{f_\\alpha\\}.$ The method can be exploited with a CAS or an object-oriented language and is excellently suitable for parallel-processing.

Robust Homography Estimation Based on Nonlinear Least Squares Optimization

Directory of Open Access Journals (Sweden)

Wei Mou

2014-01-01

Full Text Available The homography between image pairs is normally estimated by minimizing a suitable cost function given 2D keypoint correspondences. The correspondences are typically established using descriptor distance of keypoints. However, the correspondences are often incorrect due to ambiguous descriptors which can introduce errors into following homography computing step. There have been numerous attempts to filter out these erroneous correspondences, but it is unlikely to always achieve perfect matching. To deal with this problem, we propose a nonlinear least squares optimization approach to compute homography such that false matches have no or little effect on computed homography. Unlike normal homography computation algorithms, our method formulates not only the keypoints’ geometric relationship but also their descriptor similarity into cost function. Moreover, the cost function is parametrized in such a way that incorrect correspondences can be simultaneously identified while the homography is computed. Experiments show that the proposed approach can perform well even with the presence of a large number of outliers.

Commutative discrete filtering on unstructured grids based on least-squares techniques

International Nuclear Information System (INIS)

Haselbacher, Andreas; Vasilyev, Oleg V.

2003-01-01

The present work is concerned with the development of commutative discrete filters for unstructured grids and contains two main contributions. First, building on the work of Marsden et al. [J. Comp. Phys. 175 (2002) 584], a new commutative discrete filter based on least-squares techniques is constructed. Second, a new analysis of the discrete commutation error is carried out. The analysis indicates that the discrete commutation error is not only dependent on the number of vanishing moments of the filter weights, but also on the order of accuracy of the discrete gradient operator. The results of the analysis are confirmed by grid-refinement studies

Proton Exchange Membrane Fuel Cell Modelling Using Moving Least Squares Technique

Directory of Open Access Journals (Sweden)

Radu Tirnovan

2009-07-01

Full Text Available Proton exchange membrane fuel cell, with low polluting emissions, is a great alternative to replace the traditional electrical power sources for automotive applications or for small stationary consumers. This paper presents a numerical method, for the fuel cell modelling, based on moving least squares (MLS. Experimental data have been used for developing an approximated model of the PEMFC function of the current density, air inlet pressure and operating temperature of the fuel cell. The method can be applied for modelling others fuel cell sub-systems, such as the compressor. The method can be used for off-line or on-line identification of the PEMFC stack.

Comparison of ERBS orbit determination accuracy using batch least-squares and sequential methods

Science.gov (United States)

Oza, D. H.; Jones, T. L.; Fabien, S. M.; Mistretta, G. D.; Hart, R. C.; Doll, C. E.

1991-10-01

The Flight Dynamics Div. (FDD) at NASA-Goddard commissioned a study to develop the Real Time Orbit Determination/Enhanced (RTOD/E) system as a prototype system for sequential orbit determination of spacecraft on a DOS based personal computer (PC). An overview is presented of RTOD/E capabilities and the results are presented of a study to compare the orbit determination accuracy for a Tracking and Data Relay Satellite System (TDRSS) user spacecraft obtained using RTOS/E on a PC with the accuracy of an established batch least squares system, the Goddard Trajectory Determination System (GTDS), operating on a mainframe computer. RTOD/E was used to perform sequential orbit determination for the Earth Radiation Budget Satellite (ERBS), and the Goddard Trajectory Determination System (GTDS) was used to perform the batch least squares orbit determination. The estimated ERBS ephemerides were obtained for the Aug. 16 to 22, 1989, timeframe, during which intensive TDRSS tracking data for ERBS were available. Independent assessments were made to examine the consistencies of results obtained by the batch and sequential methods. Comparisons were made between the forward filtered RTOD/E orbit solutions and definitive GTDS orbit solutions for ERBS; the solution differences were less than 40 meters after the filter had reached steady state.

Comparison of ERBS orbit determination accuracy using batch least-squares and sequential methods

Science.gov (United States)

Oza, D. H.; Jones, T. L.; Fabien, S. M.; Mistretta, G. D.; Hart, R. C.; Doll, C. E.

1991-01-01

The Flight Dynamics Div. (FDD) at NASA-Goddard commissioned a study to develop the Real Time Orbit Determination/Enhanced (RTOD/E) system as a prototype system for sequential orbit determination of spacecraft on a DOS based personal computer (PC). An overview is presented of RTOD/E capabilities and the results are presented of a study to compare the orbit determination accuracy for a Tracking and Data Relay Satellite System (TDRSS) user spacecraft obtained using RTOS/E on a PC with the accuracy of an established batch least squares system, the Goddard Trajectory Determination System (GTDS), operating on a mainframe computer. RTOD/E was used to perform sequential orbit determination for the Earth Radiation Budget Satellite (ERBS), and the Goddard Trajectory Determination System (GTDS) was used to perform the batch least squares orbit determination. The estimated ERBS ephemerides were obtained for the Aug. 16 to 22, 1989, timeframe, during which intensive TDRSS tracking data for ERBS were available. Independent assessments were made to examine the consistencies of results obtained by the batch and sequential methods. Comparisons were made between the forward filtered RTOD/E orbit solutions and definitive GTDS orbit solutions for ERBS; the solution differences were less than 40 meters after the filter had reached steady state.

Least square method of estimation of ecological half-lives of radionuclides in sediments

International Nuclear Information System (INIS)

Ranade, A.K.; Pandey, M.; Datta, D.; Ravi, P.M.

2012-01-01

Long term behavior of radionuclides in the environment is an important issue for estimating probable radiological consequences and associated risks. It is also useful for evaluating potential use of contaminated areas and the possible effectiveness of remediation activities. The long term behavior is quantified by means of ecological half life, a parameter that aggregates all processes except radioactive decay which causes a decrease of activity in a specific medium. The process involved in ecological half life depends upon the environmental condition of the medium involved. A fitting model based on least square regression approach was used to evaluate the ecological half life. This least square method has to run several times to evaluate the number of ecological half lives present in the medium for the radionuclide. The case study data considered here is for 137 Cs in Mumbai Harbour Bay. The study shows the trend of 137 Cs over the years at a location in Mumbai Harbour Bay. First iteration model illustrate the ecological half life as 4.94 y and subsequently it passes through a number of runs for more number of ecological half-life present by goodness of fit test. The paper presents a methodology for evaluating ecological half life and exemplifies it with a case study of 137 Cs. (author)

Short-term traffic flow prediction model using particle swarm optimization–based combined kernel function-least squares support vector machine combined with chaos theory

Directory of Open Access Journals (Sweden)

Qiang Shang

2016-08-01

Full Text Available Short-term traffic flow prediction is an important part of intelligent transportation systems research and applications. For further improving the accuracy of short-time traffic flow prediction, a novel hybrid prediction model (multivariate phase space reconstruction–combined kernel function-least squares support vector machine based on multivariate phase space reconstruction and combined kernel function-least squares support vector machine is proposed. The C-C method is used to determine the optimal time delay and the optimal embedding dimension of traffic variables’ (flow, speed, and occupancy time series for phase space reconstruction. The G-P method is selected to calculate the correlation dimension of attractor which is an important index for judging chaotic characteristics of the traffic variables’ series. The optimal input form of combined kernel function-least squares support vector machine model is determined by multivariate phase space reconstruction, and the model’s parameters are optimized by particle swarm optimization algorithm. Finally, case validation is carried out using the measured data of an expressway in Xiamen, China. The experimental results suggest that the new proposed model yields better predictions compared with similar models (combined kernel function-least squares support vector machine, multivariate phase space reconstruction–generalized kernel function-least squares support vector machine, and phase space reconstruction–combined kernel function-least squares support vector machine, which indicates that the new proposed model exhibits stronger prediction ability and robustness.

A comparison of artificial neural networks and partial least squares modelling for the rapid detection of the microbial spoilage of beef fillets based on Fourier transform infrared spectral fingerprints.

Science.gov (United States)

Panagou, Efstathios Z; Mohareb, Fady R; Argyri, Anthoula A; Bessant, Conrad M; Nychas, George-John E

2011-06-01

A series of partial least squares (PLS) models were employed to correlate spectral data from FTIR analysis with beef fillet spoilage during aerobic storage at different temperatures (0, 5, 10, 15, and 20 °C) using the dataset presented by Argyri et al. (2010). The performance of the PLS models was compared with a three-layer feed-forward artificial neural network (ANN) developed using the same dataset. FTIR spectra were collected from the surface of meat samples in parallel with microbiological analyses to enumerate total viable counts. Sensory evaluation was based on a three-point hedonic scale classifying meat samples as fresh, semi-fresh, and spoiled. The purpose of the modelling approach employed in this work was to classify beef samples in the respective quality class as well as to predict their total viable counts directly from FTIR spectra. The results obtained demonstrated that both approaches showed good performance in discriminating meat samples in one of the three predefined sensory classes. The PLS classification models showed performances ranging from 72.0 to 98.2% using the training dataset, and from 63.1 to 94.7% using independent testing dataset. The ANN classification model performed equally well in discriminating meat samples, with correct classification rates from 98.2 to 100% and 63.1 to 73.7% in the train and test sessions, respectively. PLS and ANN approaches were also applied to create models for the prediction of microbial counts. The performance of these was based on graphical plots and statistical indices (bias factor, accuracy factor, root mean square error). Furthermore, results demonstrated reasonably good correlation of total viable counts on meat surface with FTIR spectral data with PLS models presenting better performance indices compared to ANN. Copyright © 2010 Elsevier Ltd. All rights reserved.

Multisource least-squares reverse-time migration with structure-oriented filtering

Science.gov (United States)

Fan, Jing-Wen; Li, Zhen-Chun; Zhang, Kai; Zhang, Min; Liu, Xue-Tong

2016-09-01

The technology of simultaneous-source acquisition of seismic data excited by several sources can significantly improve the data collection efficiency. However, direct imaging of simultaneous-source data or blended data may introduce crosstalk noise and affect the imaging quality. To address this problem, we introduce a structure-oriented filtering operator as preconditioner into the multisource least-squares reverse-time migration (LSRTM). The structure-oriented filtering operator is a nonstationary filter along structural trends that suppresses crosstalk noise while maintaining structural information. The proposed method uses the conjugate-gradient method to minimize the mismatch between predicted and observed data, while effectively attenuating the interference noise caused by exciting several sources simultaneously. Numerical experiments using synthetic data suggest that the proposed method can suppress the crosstalk noise and produce highly accurate images.

An improved conjugate gradient scheme to the solution of least squares SVM.

Science.gov (United States)

Chu, Wei; Ong, Chong Jin; Keerthi, S Sathiya

2005-03-01

The least square support vector machines (LS-SVM) formulation corresponds to the solution of a linear system of equations. Several approaches to its numerical solutions have been proposed in the literature. In this letter, we propose an improved method to the numerical solution of LS-SVM and show that the problem can be solved using one reduced system of linear equations. Compared with the existing algorithm for LS-SVM, the approach used in this letter is about twice as efficient. Numerical results using the proposed method are provided for comparisons with other existing algorithms.

Mixed convection in a lid-driven square cavity with partial slip

International Nuclear Information System (INIS)

Ismael, Muneer A.; Pop, Ioan; Chamkha, Ali J.

2014-01-01

Steady laminar mixed convection inside a lid-driven square cavity filled with water is studied numerically. The lid is due to the movement of the isothermal top and bottom walls which are maintained at T c and T h , respectively, with T h is higher than T c . A partial slip condition was imposed in these two moving walls. The vertical walls of the cavity are kept adiabatic. The appliance of the numerical analysis was USR finite difference method with upwind scheme treatments of the convective terms included in the momentum and energy equations. The studied relevant parameters were: the partial slip parameter S (0-∞); Richardson number Ri (0.01-100) and the direction of the moving walls (λ t = 1, λ b = ±1). The results have showed that there are critical values for the partial slip parameter at which the convection is declined. (authors)

EXPALS, Least Square Fit of Linear Combination of Exponential Decay Function

International Nuclear Information System (INIS)

Douglas Gardner, C.

1980-01-01

1 - Description of problem or function: This program fits by least squares a function which is a linear combination of real exponential decay functions. The function is y(k) = summation over j of a(j) * exp(-lambda(j) * k). Values of the independent variable (k) and the dependent variable y(k) are specified as input data. Weights may be specified as input information or set by the program (w(k) = 1/y(k)). 2 - Method of solution: The Prony-Householder iteration method is used. For unequally-spaced data, a number of interpolation options are provided. This revision includes an option to call a differential correction subroutine REFINE to improve the approximation to unequally-spaced data when equal-interval interpolation is faulty. If convergence is achieved, the probable errors in the computed parameters are calculated also. 3 - Restrictions on the complexity of the problem: Generally, it is desirable to have at least 10n observations where n equals the number of terms and to input k+n significant figures if k significant figures are expected

The current strain distribution in the North China Basin of eastern China by least-squares collocation

Science.gov (United States)

Wu, J. C.; Tang, H. W.; Chen, Y. Q.; Li, Y. X.

2006-07-01

In this paper, the velocities of 154 stations obtained in 2001 and 2003 GPS survey campaigns are applied to formulate a continuous velocity field by the least-squares collocation method. The strain rate field obtained by the least-squares collocation method shows more clear deformation patterns than that of the conventional discrete triangle method. The significant deformation zones obtained are mainly located in three places, to the north of Tangshan, between Tianjing and Shijiazhuang, and to the north of Datong, which agree with the places of the Holocene active deformation zones obtained by geological investigations. The maximum shear strain rate is located at latitude 38.6°N and longitude 116.8°E, with a magnitude of 0.13 ppm/a. The strain rate field obtained can be used for earthquake prediction research in the North China Basin.

Least square methods and covariance matrix applied to the relative efficiency calibration of a Ge(Li) detector

International Nuclear Information System (INIS)

Geraldo, L.P.; Smith, D.L.

1989-01-01

The methodology of covariance matrix and square methods have been applied in the relative efficiency calibration for a Ge(Li) detector apllied in the relative efficiency calibration for a Ge(Li) detector. Procedures employed to generate, manipulate and test covariance matrices which serve to properly represent uncertainties of experimental data are discussed. Calibration data fitting using least square methods has been performed for a particular experimental data set. (author) [pt

Discrete Wavelet Transform-Partial Least Squares Versus Derivative ...

African Journals Online (AJOL)

DWT-PLS method was successfully applied for the analysis of raw materials and the dosage form. For. DD1 method ... from each stock standard solutions separately in. 250 mL ..... good agreement with the data indicated in the formulations ...

Facial Expression Recognition via Non-Negative Least-Squares Sparse Coding

Directory of Open Access Journals (Sweden)

Ying Chen

2014-05-01

Full Text Available Sparse coding is an active research subject in signal processing, computer vision, and pattern recognition. A novel method of facial expression recognition via non-negative least squares (NNLS sparse coding is presented in this paper. The NNLS sparse coding is used to form a facial expression classifier. To testify the performance of the presented method, local binary patterns (LBP and the raw pixels are extracted for facial feature representation. Facial expression recognition experiments are conducted on the Japanese Female Facial Expression (JAFFE database. Compared with other widely used methods such as linear support vector machines (SVM, sparse representation-based classifier (SRC, nearest subspace classifier (NSC, K-nearest neighbor (KNN and radial basis function neural networks (RBFNN, the experiment results indicate that the presented NNLS method performs better than other used methods on facial expression recognition tasks.

Intelligent Quality Prediction Using Weighted Least Square Support Vector Regression

Science.gov (United States)

Yu, Yaojun

A novel quality prediction method with mobile time window is proposed for small-batch producing process based on weighted least squares support vector regression (LS-SVR). The design steps and learning algorithm are also addressed. In the method, weighted LS-SVR is taken as the intelligent kernel, with which the small-batch learning is solved well and the nearer sample is set a larger weight, while the farther is set the smaller weight in the history data. A typical machining process of cutting bearing outer race is carried out and the real measured data are used to contrast experiment. The experimental results demonstrate that the prediction accuracy of the weighted LS-SVR based model is only 20%-30% that of the standard LS-SVR based one in the same condition. It provides a better candidate for quality prediction of small-batch producing process.

Application of transmission infrared spectroscopy and partial least squares regression to predict immunoglobulin G concentration in dairy and beef cow colostrum.

Science.gov (United States)

Elsohaby, Ibrahim; Windeyer, M Claire; Haines, Deborah M; Homerosky, Elizabeth R; Pearson, Jennifer M; McClure, J Trenton; Keefe, Greg P

2018-03-06

The objective of this study was to explore the potential of transmission infrared (TIR) spectroscopy in combination with partial least squares regression (PLSR) for quantification of dairy and beef cow colostral immunoglobulin G (IgG) concentration and assessment of colostrum quality. A total of 430 colostrum samples were collected from dairy (n = 235) and beef (n = 195) cows and tested by a radial immunodiffusion (RID) assay and TIR spectroscopy. Colostral IgG concentrations obtained by the RID assay were linked to the preprocessed spectra and divided into combined and prediction data sets. Three PLSR calibration models were built: one for the dairy cow colostrum only, the second for beef cow colostrum only, and the third for the merged dairy and beef cow colostrum. The predictive performance of each model was evaluated separately using the independent prediction data set. The Pearson correlation coefficients between IgG concentrations as determined by the TIR-based assay and the RID assay were 0.84 for dairy cow colostrum, 0.88 for beef cow colostrum, and 0.92 for the merged set of dairy and beef cow colostrum. The average of the differences between colostral IgG concentrations obtained by the RID- and TIR-based assays were -3.5, 2.7, and 1.4 g/L for dairy, beef, and merged colostrum samples, respectively. Further, the average relative error of the colostral IgG predicted by the TIR spectroscopy from the RID assay was 5% for dairy cow, 1.2% for beef cow, and 0.8% for the merged data set. The average intra-assay CV% of the IgG concentration predicted by the TIR-based method were 3.2%, 2.5%, and 6.9% for dairy cow, beef cow, and merged data set, respectively.The utility of TIR method for assessment of colostrum quality was evaluated using the entire data set and showed that TIR spectroscopy accurately identified the quality status of 91% of dairy cow colostrum, 95% of beef cow colostrum, and 89% and 93% of the merged dairy and beef cow colostrum samples

Extension of least squares spectral resolution algorithm to high-resolution lipidomics data

Energy Technology Data Exchange (ETDEWEB)

Zeng, Ying-Xu [Department of Chemistry, University of Bergen, PO Box 7803, N-5020 Bergen (Norway); Mjøs, Svein Are, E-mail: svein.mjos@kj.uib.no [Department of Chemistry, University of Bergen, PO Box 7803, N-5020 Bergen (Norway); David, Fabrice P.A. [Bioinformatics and Biostatistics Core Facility, School of Life Sciences, Ecole Polytechnique Fédérale de Lausanne (EPFL) and Swiss Institute of Bioinformatics (SIB), Lausanne (Switzerland); Schmid, Adrien W. [Proteomics Core Facility, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne (Switzerland)

2016-03-31

Lipidomics, which focuses on the global study of molecular lipids in biological systems, has been driven tremendously by technical advances in mass spectrometry (MS) instrumentation, particularly high-resolution MS. This requires powerful computational tools that handle the high-throughput lipidomics data analysis. To address this issue, a novel computational tool has been developed for the analysis of high-resolution MS data, including the data pretreatment, visualization, automated identification, deconvolution and quantification of lipid species. The algorithm features the customized generation of a lipid compound library and mass spectral library, which covers the major lipid classes such as glycerolipids, glycerophospholipids and sphingolipids. Next, the algorithm performs least squares resolution of spectra and chromatograms based on the theoretical isotope distribution of molecular ions, which enables automated identification and quantification of molecular lipid species. Currently, this methodology supports analysis of both high and low resolution MS as well as liquid chromatography-MS (LC-MS) lipidomics data. The flexibility of the methodology allows it to be expanded to support more lipid classes and more data interpretation functions, making it a promising tool in lipidomic data analysis. - Highlights: • A flexible strategy for analyzing MS and LC-MS data of lipid molecules is proposed. • Isotope distribution spectra of theoretically possible compounds were generated. • High resolution MS and LC-MS data were resolved by least squares spectral resolution. • The method proposed compounds that are likely to occur in the analyzed samples. • The proposed compounds matched results from manual interpretation of fragment spectra.

Extension of least squares spectral resolution algorithm to high-resolution lipidomics data

International Nuclear Information System (INIS)

Zeng, Ying-Xu; Mjøs, Svein Are; David, Fabrice P.A.; Schmid, Adrien W.

2016-01-01

Lipidomics, which focuses on the global study of molecular lipids in biological systems, has been driven tremendously by technical advances in mass spectrometry (MS) instrumentation, particularly high-resolution MS. This requires powerful computational tools that handle the high-throughput lipidomics data analysis. To address this issue, a novel computational tool has been developed for the analysis of high-resolution MS data, including the data pretreatment, visualization, automated identification, deconvolution and quantification of lipid species. The algorithm features the customized generation of a lipid compound library and mass spectral library, which covers the major lipid classes such as glycerolipids, glycerophospholipids and sphingolipids. Next, the algorithm performs least squares resolution of spectra and chromatograms based on the theoretical isotope distribution of molecular ions, which enables automated identification and quantification of molecular lipid species. Currently, this methodology supports analysis of both high and low resolution MS as well as liquid chromatography-MS (LC-MS) lipidomics data. The flexibility of the methodology allows it to be expanded to support more lipid classes and more data interpretation functions, making it a promising tool in lipidomic data analysis. - Highlights: • A flexible strategy for analyzing MS and LC-MS data of lipid molecules is proposed. • Isotope distribution spectra of theoretically possible compounds were generated. • High resolution MS and LC-MS data were resolved by least squares spectral resolution. • The method proposed compounds that are likely to occur in the analyzed samples. • The proposed compounds matched results from manual interpretation of fragment spectra.

Predicting blood β-hydroxybutyrate using milk Fourier transform infrared spectrum, milk composition, and producer-reported variables with multiple linear regression, partial least squares regression, and artificial neural network.

Science.gov (United States)

Pralle, R S; Weigel, K W; White, H M

2018-05-01

Prediction of postpartum hyperketonemia (HYK) using Fourier transform infrared (FTIR) spectrometry analysis could be a practical diagnostic option for farms because these data are now available from routine milk analysis during Dairy Herd Improvement testing. The objectives of this study were to (1) develop and evaluate blood β-hydroxybutyrate (BHB) prediction models using multivariate linear regression (MLR), partial least squares regression (PLS), and artificial neural network (ANN) methods and (2) evaluate whether milk FTIR spectrum (mFTIR)-based models are improved with the inclusion of test-day variables (mTest; milk composition and producer-reported data). Paired blood and milk samples were collected from multiparous cows 5 to 18 d postpartum at 3 Wisconsin farms (3,629 observations from 1,013 cows). Blood BHB concentration was determined by a Precision Xtra meter (Abbot Diabetes Care, Alameda, CA), and milk samples were analyzed by a privately owned laboratory (AgSource, Menomonie, WI) for components and FTIR spectrum absorbance. Producer-recorded variables were extracted from farm management software. A blood BHB ≥1.2 mmol/L was considered HYK. The data set was divided into a training set (n = 3,020) and an external testing set (n = 609). Model fitting was implemented with JMP 12 (SAS Institute, Cary, NC). A 5-fold cross-validation was performed on the training data set for the MLR, PLS, and ANN prediction methods, with square root of blood BHB as the dependent variable. Each method was fitted using 3 combinations of variables: mFTIR, mTest, or mTest + mFTIR variables. Models were evaluated based on coefficient of determination, root mean squared error, and area under the receiver operating characteristic curve. Four models (PLS-mTest + mFTIR, ANN-mFTIR, ANN-mTest, and ANN-mTest + mFTIR) were chosen for further evaluation in the testing set after fitting to the full training set. In the cross-validation analysis, model fit was greatest for ANN, followed

Reconstruction method for fluorescent X-ray computed tomography by least-squares method using singular value decomposition

Science.gov (United States)

Yuasa, T.; Akiba, M.; Takeda, T.; Kazama, M.; Hoshino, A.; Watanabe, Y.; Hyodo, K.; Dilmanian, F. A.; Akatsuka, T.; Itai, Y.

1997-02-01

We describe a new attenuation correction method for fluorescent X-ray computed tomography (FXCT) applied to image nonradioactive contrast materials in vivo. The principle of the FXCT imaging is that of computed tomography of the first generation. Using monochromatized synchrotron radiation from the BLNE-5A bending-magnet beam line of Tristan Accumulation Ring in KEK, Japan, we studied phantoms with the FXCT method, and we succeeded in delineating a 4-mm-diameter channel filled with a 500 /spl mu/g I/ml iodine solution in a 20-mm-diameter acrylic cylindrical phantom. However, to detect smaller iodine concentrations, attenuation correction is needed. We present a correction method based on the equation representing the measurement process. The discretized equation system is solved by the least-squares method using the singular value decomposition. The attenuation correction method is applied to the projections by the Monte Carlo simulation and the experiment to confirm its effectiveness.

Geometric Least Square Models for Deriving [0,1]-Valued Interval Weights from Interval Fuzzy Preference Relations Based on Multiplicative Transitivity

Directory of Open Access Journals (Sweden)

Xuan Yang

2015-01-01

Full Text Available This paper presents a geometric least square framework for deriving [0,1]-valued interval weights from interval fuzzy preference relations. By analyzing the relationship among [0,1]-valued interval weights, multiplicatively consistent interval judgments, and planes, a geometric least square model is developed to derive a normalized [0,1]-valued interval weight vector from an interval fuzzy preference relation. Based on the difference ratio between two interval fuzzy preference relations, a geometric average difference ratio between one interval fuzzy preference relation and the others is defined and employed to determine the relative importance weights for individual interval fuzzy preference relations. A geometric least square based approach is further put forward for solving group decision making problems. An individual decision numerical example and a group decision making problem with the selection of enterprise resource planning software products are furnished to illustrate the effectiveness and applicability of the proposed models.

Pseudoinverse preconditioners and iterative methods for large dense linear least-squares problems

Directory of Open Access Journals (Sweden)

Oskar Cahueñas

2013-05-01

Full Text Available We address the issue of approximating the pseudoinverse of the coefficient matrix for dynamically building preconditioning strategies for the numerical solution of large dense linear least-squares problems. The new preconditioning strategies are embedded into simple and well-known iterative schemes that avoid the use of the, usually ill-conditioned, normal equations. We analyze a scheme to approximate the pseudoinverse, based on Schulz iterative method, and also different iterative schemes, based on extensions of Richardson's method, and the conjugate gradient method, that are suitable for preconditioning strategies. We present preliminary numerical results to illustrate the advantages of the proposed schemes.

Battery state-of-charge estimation using approximate least squares

Science.gov (United States)

Unterrieder, C.; Zhang, C.; Lunglmayr, M.; Priewasser, R.; Marsili, S.; Huemer, M.

2015-03-01

In recent years, much effort has been spent to extend the runtime of battery-powered electronic applications. In order to improve the utilization of the available cell capacity, high precision estimation approaches for battery-specific parameters are needed. In this work, an approximate least squares estimation scheme is proposed for the estimation of the battery state-of-charge (SoC). The SoC is determined based on the prediction of the battery's electromotive force. The proposed approach allows for an improved re-initialization of the Coulomb counting (CC) based SoC estimation method. Experimental results for an implementation of the estimation scheme on a fuel gauge system on chip are illustrated. Implementation details and design guidelines are presented. The performance of the presented concept is evaluated for realistic operating conditions (temperature effects, aging, standby current, etc.). For the considered test case of a GSM/UMTS load current pattern of a mobile phone, the proposed method is able to re-initialize the CC-method with a high accuracy, while state-of-the-art methods fail to perform a re-initialization.

Spatial Estimation of Losses Attributable to Meteorological Disasters in a Specific Area (105.0°E–115.0°E, 25°N–35°N Using Bayesian Maximum Entropy and Partial Least Squares Regression

Directory of Open Access Journals (Sweden)

F. S. Zhang

2016-01-01

Full Text Available The spatial mapping of losses attributable to such disasters is now well established as a means of describing the spatial patterns of disaster risk, and it has been shown to be suitable for many types of major meteorological disasters. However, few studies have been carried out by developing a regression model to estimate the effects of the spatial distribution of meteorological factors on losses associated with meteorological disasters. In this study, the proposed approach is capable of the following: (a estimating the spatial distributions of seven meteorological factors using Bayesian maximum entropy, (b identifying the four mapping methods used in this research with the best performance based on the cross validation, and (c establishing a fitted model between the PLS components and disaster losses information using partial least squares regression within a specific research area. The results showed the following: (a best mapping results were produced by multivariate Bayesian maximum entropy with probabilistic soft data; (b the regression model using three PLS components, extracted from seven meteorological factors by PLS method, was the most predictive by means of PRESS/SS test; (c northern Hunan Province sustains the most damage, and southeastern Gansu Province and western Guizhou Province sustained the least.

Exploring the limits of cryospectroscopy: Least-squares based approaches for analyzing the self-association of HCl

Science.gov (United States)

De Beuckeleer, Liene I.; Herrebout, Wouter A.

2016-02-01

To rationalize the concentration dependent behavior observed for a large spectral data set of HCl recorded in liquid argon, least-squares based numerical methods are developed and validated. In these methods, for each wavenumber a polynomial is used to mimic the relation between monomer concentrations and measured absorbances. Least-squares fitting of higher degree polynomials tends to overfit and thus leads to compensation effects where a contribution due to one species is compensated for by a negative contribution of another. The compensation effects are corrected for by carefully analyzing, using AIC and BIC information criteria, the differences observed between consecutive fittings when the degree of the polynomial model is systematically increased, and by introducing constraints prohibiting negative absorbances to occur for the monomer or for one of the oligomers. The method developed should allow other, more complicated self-associating systems to be analyzed with a much higher accuracy than before.

Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: Application to the detection of breast cancer

International Nuclear Information System (INIS)

Gu Haiwei; Pan Zhengzheng; Xi Bowei; Asiago, Vincent; Musselman, Brian; Raftery, Daniel

2011-01-01

Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1 H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.

Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: application to the detection of breast cancer.

Science.gov (United States)

Gu, Haiwei; Pan, Zhengzheng; Xi, Bowei; Asiago, Vincent; Musselman, Brian; Raftery, Daniel

2011-02-07

Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, (1)H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology. Copyright © 2010 Elsevier B.V. All rights reserved.

A least squares principle unifying finite element, finite difference and nodal methods for diffusion theory

International Nuclear Information System (INIS)

Ackroyd, R.T.

1987-01-01

A least squares principle is described which uses a penalty function treatment of boundary and interface conditions. Appropriate choices of the trial functions and vectors employed in a dual representation of an approximate solution established complementary principles for the diffusion equation. A geometrical interpretation of the principles provides weighted residual methods for diffusion theory, thus establishing a unification of least squares, variational and weighted residual methods. The complementary principles are used with either a trial function for the flux or a trial vector for the current to establish for regular meshes a connection between finite element, finite difference and nodal methods, which can be exact if the mesh pitches are chosen appropriately. Whereas the coefficients in the usual nodal equations have to be determined iteratively, those derived via the complementary principles are given explicitly in terms of the data. For the further development of the connection between finite element, finite difference and nodal methods, some hybrid variational methods are described which employ both a trial function and a trial vector. (author)