scholarly journals Iterative Multivariate Peaks Fitting—A Robust Approach for The Analysis of Non-baseline Resolved Chromatographic Peaks

Separations ◽  
2021 ◽  
Vol 8 (10) ◽  
pp. 178
Author(s):  
Guillaume Laurent Erny ◽  
Marzieh Moeenfard ◽  
Arminda Alves

Selectivity in separation science is defined as the extent to which a method can determine the target analyte free of interference. It is the backbone of any method and can be enhanced at various steps, including sample preparation, separation optimization and detection. Significant improvement in selectivity can also be achieved in the data analysis step with the mathematical treatment of the signals. In this manuscript, we present a new approach that uses mathematical functions to model chromatographic peaks. However, unlike classical peak fitting approaches where the fitting parameters are optimized with a single profile (one-way data), the parameters are optimized over multiple profiles (two-way data). Thus, it allows high confidence and robustness. Furthermore, an iterative approach where the number of peaks is increased at each step until convergence is developed in this manuscript. It is demonstrated with simulated and real data that this algorithm is: (1) capable of mathematically separating each component with minimal user input and (2) that the peak areas can be accurately measured even with resolution as low as 0.5 if the peak’s intensities does not differ by more than a factor 10. This was conclusively demonstrated with the quantification of diterpene esters in standard mixtures.

2011 ◽  
Vol 1 (1) ◽  
pp. 45-52 ◽  
Author(s):  
Hamada M. Zahera ◽  
Gamal F. El-Hady ◽  
W. F. Abd El-Wahed

As web contents grow, the importance of search engines become more critical and at the same time user satisfaction decreases. Query recommendation is a new approach to improve search results in web. In this paper a method is proposed that, given a query submitted to a search engine, suggests a list of queries that are related to the user input query. The related queries are based on previously issued queries, and can be issued by the user to the search engine to tune or redirect the search process. The proposed method is based on clustering processes in which groups of semantically similar queries are detected. The clustering process uses the content of historical preferences of users registered in the query log of the search engine. This facility provides queries that are related to the ones submitted by users in order to direct them toward their required information. This method not only discovers the related queries but also ranks them according to a similarity measure. The method has been evaluated using real data sets from the search engine query log.


Author(s):  
Hamada M. Zahera ◽  
Gamal F. El-Hady ◽  
W. F. Abd El-Wahed

As web contents grow, the importance of search engines become more critical and at the same time user satisfaction decreases. Query recommendation is a new approach to improve search results in web. In this paper a method is proposed that, given a query submitted to a search engine, suggests a list of queries that are related to the user input query. The related queries are based on previously issued queries, and can be issued by the user to the search engine to tune or redirect the search process. The proposed method is based on clustering processes in which groups of semantically similar queries are detected. The clustering process uses the content of historical preferences of users registered in the query log of the search engine. This facility provides queries that are related to the ones submitted by users in order to direct them toward their required information. This method not only discovers the related queries but also ranks them according to a similarity measure. The method has been evaluated using real data sets from the search engine query log.


Symmetry ◽  
2021 ◽  
Vol 13 (4) ◽  
pp. 726
Author(s):  
Lamya A. Baharith ◽  
Wedad H. Aljuhani

This article presents a new method for generating distributions. This method combines two techniques—the transformed—transformer and alpha power transformation approaches—allowing for tremendous flexibility in the resulting distributions. The new approach is applied to introduce the alpha power Weibull—exponential distribution. The density of this distribution can take asymmetric and near-symmetric shapes. Various asymmetric shapes, such as decreasing, increasing, L-shaped, near-symmetrical, and right-skewed shapes, are observed for the related failure rate function, making it more tractable for many modeling applications. Some significant mathematical features of the suggested distribution are determined. Estimates of the unknown parameters of the proposed distribution are obtained using the maximum likelihood method. Furthermore, some numerical studies were carried out, in order to evaluate the estimation performance. Three practical datasets are considered to analyze the usefulness and flexibility of the introduced distribution. The proposed alpha power Weibull–exponential distribution can outperform other well-known distributions, showing its great adaptability in the context of real data analysis.


Biometrika ◽  
2021 ◽  
Author(s):  
Juhyun Park ◽  
Jeongyoun Ahn ◽  
Yongho Jeon

Abstract Functional linear discriminant analysis offers a simple yet efficient method for classification, with the possibility of achieving a perfect classification. Several methods are proposed in the literature that mostly address the dimensionality of the problem. On the other hand, there is a growing interest in interpretability of the analysis, which favors a simple and sparse solution. In this work, we propose a new approach that incorporates a type of sparsity that identifies nonzero sub-domains in the functional setting, offering a solution that is easier to interpret without compromising performance. With the need to embed additional constraints in the solution, we reformulate the functional linear discriminant analysis as a regularization problem with an appropriate penalty. Inspired by the success of ℓ1-type regularization at inducing zero coefficients for scalar variables, we develop a new regularization method for functional linear discriminant analysis that incorporates an L1-type penalty, ∫ |f|, to induce zero regions. We demonstrate that our formulation has a well-defined solution that contains zero regions, achieving a functional sparsity in the sense of domain selection. In addition, the misclassification probability of the regularized solution is shown to converge to the Bayes error if the data are Gaussian. Our method does not presume that the underlying function has zero regions in the domain, but produces a sparse estimator that consistently estimates the true function whether or not the latter is sparse. Numerical comparisons with existing methods demonstrate this property in finite samples with both simulated and real data examples.


2002 ◽  
Vol 2 (6) ◽  
pp. 2133-2150 ◽  
Author(s):  
J.-P. Issartel ◽  
J. Baverel

Abstract. An international monitoring system is being built as a verification tool for the Comprehensive Test Ban Treaty. Forty stations will measure on a worldwide daily basis the concentration of radioactive noble gases. The paper introduces, by handling preliminary real data, a new approach of backtracking for the identification of sources after positive measurements. When several measurements are available the ambiguity about possible sources is reduced significantly. As an interesting side result it is shown that diffusion in the passive tracer dispersion equation is necessarily a self-adjoint operator.


2016 ◽  
Vol 2016 ◽  
pp. 1-8 ◽  
Author(s):  
Lorentz Jäntschi ◽  
Donatella Bálint ◽  
Sorana D. Bolboacă

Multiple linear regression analysis is widely used to link an outcome with predictors for better understanding of the behaviour of the outcome of interest. Usually, under the assumption that the errors follow a normal distribution, the coefficients of the model are estimated by minimizing the sum of squared deviations. A new approach based on maximum likelihood estimation is proposed for finding the coefficients on linear models with two predictors without any constrictive assumptions on the distribution of the errors. The algorithm was developed, implemented, and tested as proof-of-concept using fourteen sets of compounds by investigating the link between activity/property (as outcome) and structural feature information incorporated by molecular descriptors (as predictors). The results on real data demonstrated that in all investigated cases the power of the error is significantly different by the convenient value of two when the Gauss-Laplace distribution was used to relax the constrictive assumption of the normal distribution of the error. Therefore, the Gauss-Laplace distribution of the error could not be rejected while the hypothesis that the power of the error from Gauss-Laplace distribution is normal distributed also failed to be rejected.


Geophysics ◽  
2020 ◽  
Vol 85 (2) ◽  
pp. V223-V232 ◽  
Author(s):  
Zhicheng Geng ◽  
Xinming Wu ◽  
Sergey Fomel ◽  
Yangkang Chen

The seislet transform uses the wavelet-lifting scheme and local slopes to analyze the seismic data. In its definition, the designing of prediction operators specifically for seismic images and data is an important issue. We have developed a new formulation of the seislet transform based on the relative time (RT) attribute. This method uses the RT volume to construct multiscale prediction operators. With the new prediction operators, the seislet transform gets accelerated because distant traces get predicted directly. We apply our method to synthetic and real data to demonstrate that the new approach reduces computational cost and obtains excellent sparse representation on test data sets.


2020 ◽  
Vol 2020 ◽  
pp. 1-9
Author(s):  
Saima K. Khosa ◽  
Ahmed Z. Afify ◽  
Zubair Ahmad ◽  
Mi Zichuan ◽  
Saddam Hussain ◽  
...  

In this article, a new approach is used to introduce an additional parameter to a continuous class of distributions. The new class is referred to as a new extended-F family of distributions. The new extended-Weibull distribution, as a special submodel of this family, is discussed. General expressions for some mathematical properties of the proposed family are derived, and maximum likelihood estimators of the model parameters are obtained. Furthermore, a simulation study is provided to evaluate the validity of the maximum likelihood estimators. Finally, the flexibility of the proposed method is illustrated via two applications to real data, and the comparison is made with the Weibull and some of its well-known extensions such as Marshall–Olkin Weibull, alpha power-transformed Weibull, and Kumaraswamy Weibull distributions.


Author(s):  
Gregorio Soria ◽  
L. M. Ortega Alvarado ◽  
Francisco R. Feito

Augmented reality (AR) has experienced a breakthrough in many areas of application thanks to cheaper hardware and a strong industry commitment. In the field of management of urban facilities, this technology allows virtual access and interaction with hidden underground elements. This paper presents a new approach to enable AR in mobile devices such as Google Tango, which has specific capabilities to be used outdoors. The first objective is to provide full functionality in the life-cycle management of subsoil infrastructures through this technology. This implies not only visualization, interaction, and free navigation, but also editing, deleting, and inserting elements ubiquitously. For this, a topological data model for three-dimensional (3D) data has been designed. Another important contribution of the paper is getting exact location and orientation performed in only a few minutes, using no additional markers or hardware. This accuracy in the initial positioning, together with the device sensing, avoids the usual errors during the navigation process in AR. Similar functionality has also been implemented in a nonubiquitous way to be supported by any other device through virtual reality (VR). The tests have been performed using real data of the city of Jaén (Spain).


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