Search results for: approximation algorithms

Authors: E. G. Bautista, J. M. Reyes, O. Bautista, J. C. Arcos

Abstract:

In this work, we analyze the deformation of surface waves in shallow flows conditions, propagating in a channel of slowly varying cross-section. Based on a singular perturbation technique, the main purpose is to predict the motion of waves by using a dimensionless formulation of the governing equations, considering that the longitudinal variation of the transversal section obey a power-law distribution. We show that the spatial distribution of the waves in the varying cross-section is a function of a kinematic parameter,κ , and two geometrical parameters εh and w ε . The above spatial behavior of the surface elevation is modeled by an ordinary differential equation. The use of single formulas to model the varying cross sections or transitions considered in this work can be a useful approximation to natural or artificial geometrical configurations.

Keywords: Surface waves, Asymptotic solution, Power law function, Non-dispersive waves.

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Authors: M. Aghili, S. Tabarestani, C. Freytes, M. Shojaie, M. Cabrerizo, A. Barreto, N. Rishe, R. E. Curiel, D. Loewenstein, R. Duara, M. Adjouadi

Abstract:

A major challenge in medical studies, especially those that are longitudinal, is the problem of missing measurements which hinders the effective application of many machine learning algorithms. Furthermore, recent Alzheimer's Disease studies have focused on the delineation of Early Mild Cognitive Impairment (EMCI) and Late Mild Cognitive Impairment (LMCI) from cognitively normal controls (CN) which is essential for developing effective and early treatment methods. To address the aforementioned challenges, this paper explores the potential of using the eXtreme Gradient Boosting (XGBoost) algorithm in handling missing values in multiclass classification. We seek a generalized classification scheme where all prodromal stages of the disease are considered simultaneously in the classification and decision-making processes. Given the large number of subjects (1631) included in this study and in the presence of almost 28% missing values, we investigated the performance of XGBoost on the classification of the four classes of AD, NC, EMCI, and LMCI. Using 10-fold cross validation technique, XGBoost is shown to outperform other state-of-the-art classification algorithms by 3% in terms of accuracy and F-score. Our model achieved an accuracy of 80.52%, a precision of 80.62% and recall of 80.51%, supporting the more natural and promising multiclass classification.

Keywords: eXtreme Gradient Boosting, missing data, Alzheimer disease, early mild cognitive impairment, late mild cognitive impairment, multiclass classification, ADNI, support vector machine, random forest.

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Authors: M. Alardhi, A. Almazrouee, S. Alsaleh

Abstract:

Oxide scale thickness measurements are used in assessing the life of different components operating at high temperature environment. Such measurements provide an approximation for the temperature inside components such as reheater and superheater tubes. A number of failures were encountered in one of the boilers in one of Kuwaiti power plants. These failure were mainly in the first row of the primary super heater tubes, therefore, the specialized engineer decide to replace them during the annual shutdown. As a tool for failure analysis, oxide scale thickness measurement were used to investigate the temperature distribution in these tubes. In this paper, the oxide scale thickness of these tubes were measured and used for analysis. The measurements provide an illustration of the distribution of heat transfer of the primary superheater tubes in the boiler system. Remarks and analysis about the design of the boiler are also provided.

Keywords: Super heater tubes, oxide scale measurements, overheating.

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Authors: Ahmed Rekik, Mourad Zribi, Ahmed Ben Hamida, Mohamed Benjelloun

Abstract:

This paper presents an optimal and unsupervised satellite image segmentation approach based on Pearson system and k-Means Clustering Algorithm Initialization. Such method could be considered as original by the fact that it utilised K-Means clustering algorithm for an optimal initialisation of image class number on one hand and it exploited Pearson system for an optimal statistical distributions- affectation of each considered class on the other hand. Satellite image exploitation requires the use of different approaches, especially those founded on the unsupervised statistical segmentation principle. Such approaches necessitate definition of several parameters like image class number, class variables- estimation and generalised mixture distributions. Use of statistical images- attributes assured convincing and promoting results under the condition of having an optimal initialisation step with appropriated statistical distributions- affectation. Pearson system associated with a k-means clustering algorithm and Stochastic Expectation-Maximization 'SEM' algorithm could be adapted to such problem. For each image-s class, Pearson system attributes one distribution type according to different parameters and especially the Skewness 'β1' and the kurtosis 'β2'. The different adapted algorithms, K-Means clustering algorithm, SEM algorithm and Pearson system algorithm, are then applied to satellite image segmentation problem. Efficiency of those combined algorithms was firstly validated with the Mean Quadratic Error 'MQE' evaluation, and secondly with visual inspection along several comparisons of these unsupervised images- segmentation.

Keywords: Unsupervised classification, Pearson system, Satellite image, Segmentation.

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Authors: Jing-Gang Xie

Abstract:

As the continuation to the previous studies of gravitational frequency shift, gravitational time dilation, gravitational light bending, gravitational waves, dark matter, and dark energy are explained in the context of Newtonian mechanics. The photon is treated as the particle with mass of hν/C² under the gravitational field of much larger mass of M. Hence the quantum mechanics theory could be applied to gravitational field on cosmology scale. The obtained results are the same as those obtained by general relativity considering weak gravitational field approximation; however, the results are different when the gravitational field is substantially strong.

Keywords: Gravitational time dilation, gravitational light bending, gravitational waves, dark matter, dark energy, General Relativity, gravitational frequency shift.

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Authors: Ali Akbar Attari, Ali Asghar Beheshti Shirazi

Abstract:

In this paper, we propose a blind and robust audio watermarking scheme based on spread spectrum in Discrete Wavelet Transform (DWT) domain. Watermarks are embedded in the low-frequency coefficients, which is less audible. The key idea is dividing the audio signal into small frames, and magnitude of the 6^th level of DWT approximation coefficients is modifying based upon the Direct Sequence Spread Spectrum (DSSS) technique. Also, the psychoacoustic model for enhancing in imperceptibility, as well as Savitsky-Golay filter for increasing accuracy in extraction, is used. The experimental results illustrate high robustness against most common attacks, i.e. Gaussian noise addition, Low pass filter, Resampling, Requantizing, MP3 compression, without significant perceptual distortion (ODG is higher than -1). The proposed scheme has about 83 bps data payload.

Keywords: Audio watermarking, spread spectrum, discrete wavelet transform, psychoacoustic, Savitsky-Golay filter.

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Authors: Habtu Alemayehu, G. Radhakrishnamacharya

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An analytical solution for dispersion of a solute in the peristaltic motion of a couple stress fluid in the presence of magnetic field with both homogeneous and heterogeneous chemical reactions is presented. The average effective dispersion coefficient has been found using Taylor-s limiting condition and long wavelength approximation. The effects of various relevant parameters on the average effective coefficient of dispersion have been studied. The average effective dispersion coefficient tends to decrease with magnetic field parameter, homogeneous chemical reaction rate parameter and amplitude ratio but tends to increase with heterogeneous chemical reaction rate parameter.

Keywords: Dispersion, Peristalsis, Couple stress fluid, Chemicalreaction, Magnetic field.

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Authors: Mohd Hafiz Musa, Zulfadhli Hasan Adli, M . N . Khairul Arifin

Abstract:

In seismic survey, the information regarding the velocity of compression wave (Vp) as well as shear wave (Vs) are very useful especially during the seismic interpretation. Previous studies showed that both Vp and Vs determined by above methods are totally different with respect to each other but offered good approximation. In this study, both Vp and Vs of consolidated granite rock were studied by using ultrasonic testing method and seismic refraction method. In ultrasonic testing, two different condition of rock are used which is dry and wet. The differences between Vp and Vs getting by using ultrasonic testing and seismic refraction were investigated and studied. The effect of water content in granite rock towards the value of Vp and Vs during ultrasonic testing are also measured. Within this work, the tolerance of the differences between the velocity of seismic wave getting from ultrasonic testing and the velocity of seismic wave getting from seismic refraction are also measured and investigated.

Keywords: Compressional wave, Granite, Shear Wave, Velocity

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Authors: R. K. Chaurasiya, N. D. Londhe, S. Ghosh

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The study of the electrical signals produced by neural activities of human brain is called Electroencephalography. In this paper, we propose an automatic and efficient EEG signal classification approach. The proposed approach is used to classify the EEG signal into two classes: epileptic seizure or not. In the proposed approach, we start with extracting the features by applying Discrete Wavelet Transform (DWT) in order to decompose the EEG signals into sub-bands. These features, extracted from details and approximation coefficients of DWT sub-bands, are used as input to Principal Component Analysis (PCA). The classification is based on reducing the feature dimension using PCA and deriving the supportvectors using Support Vector Machine (SVM). The experimental are performed on real and standard dataset. A very high level of classification accuracy is obtained in the result of classification.

Keywords: Discrete Wavelet Transform, Electroencephalogram, Pattern Recognition, Principal Component Analysis, Support Vector Machine.

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Authors: Chen Wu, Xiaohua Hu

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This paper proposes rough set models with three different level knowledge granules in incomplete information system under tolerance relation by similarity between objects according to their attribute values. Through introducing dominance relation on the discourse to decompose similarity classes into three subclasses: little better subclass, little worse subclass and vague subclass, it dismantles lower and upper approximations into three components. By using these components, retrieving information to find naturally hierarchical expansions to queries and constructing answers to elaborative queries can be effective. It illustrates the approach in applying rough set models in the design of information retrieval system to access different granular expanded documents. The proposed method enhances rough set model application in the flexibility of expansions and elaborative queries in information retrieval.

Keywords: Incomplete information system, Rough set model, tolerance relation, dominance relation, approximation, decomposition, elaborative query.

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Authors: Habtu Alemayehu, G. Radhakrishnamacharya

Abstract:

The paper presents an analytical solution for dispersion of a solute in the peristaltic motion of a micropolar fluid in the presence of magnetic field and both homogeneous and heterogeneous chemical reactions. The average effective dispersion coefficient has been found using Taylor-s limiting condition under long wavelength approximation. The effects of various relevant parameters on the average coefficient of dispersion have been studied. The average effective dispersion coefficient increases with amplitude ratio, cross viscosity coefficient and heterogeneous chemical reaction rate parameter. But it decreases with magnetic field parameter and homogeneous chemical reaction rate parameter. It can be noted that the presence of peristalsis enhances dispersion of a solute.

Keywords: Peristalsis, Dispersion, Chemical reaction, Magneticfield, Micropolar fluid

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Authors: Khalid A. Kaabneh

Abstract:

This paper introduces and studies new indexing techniques for content-based queries in images databases. Indexing is the key to providing sophisticated, accurate and fast searches for queries in image data. This research describes a new indexing approach, which depends on linear modeling of signals, using bases for modeling. A basis is a set of chosen images, and modeling an image is a least-squares approximation of the image as a linear combination of the basis images. The coefficients of the basis images are taken together to serve as index for that image. The paper describes the implementation of the indexing scheme, and presents the findings of our extensive evaluation that was conducted to optimize (1) the choice of the basis matrix (B), and (2) the size of the index A (N). Furthermore, we compare the performance of our indexing scheme with other schemes. Our results show that our scheme has significantly higher performance.

Keywords: Axial Projection, images, indexing, multimedia database, searching.

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Authors: Bainian Li, Kongsheng Zhang, Jian Xu

Abstract:

In this paper we study the fuzzy c-mean clustering algorithm combined with principal components method. Demonstratively analysis indicate that the new clustering method is well rather than some clustering algorithms. We also consider the validity of clustering method.

Keywords: FCM algorithm, Principal Components Analysis, Clustervalidity

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Authors: Igor Guatelli

Abstract:

The universe of aesthetic perception entails impasses about sensitive divergences that each text or visual object may be subjected to. If approached through intertextuality that is not based on the misleading notion of kinships or similarities a priori admissible, the possibility of anachronistic, heterogeneous - and non-diachronic - assemblies can enhance the emergence of interval movements, intermediate, and conflicting, conducive to a method of reading, interpreting, and assigning meaning that escapes the rigid antinomies of the mere being and non-being of things. In negative, they operate in a relationship built by the lack of an adjusted meaning set by their positive existences, with no remainders; the generated interval becomes the remnant of each of them; it is the opening that obscures the stable positions of each one. Without the negative of absence, of that which is always missing or must be missing in a text, concept, or image made positive by history, nothing is perceived beyond what has been already given. Pairings or binary oppositions cannot lead only to functional syntheses; on the contrary, methodological disturbances accumulated by the approximation of signs and entities can initiate a process of becoming as an opening to an unforeseen other, transformation until a moment when the difficulties of [re]conciliation become the mainstay of a future of that sign/entity, not envisioned a priori. A counter-history can emerge from these unprecedented, misadjusted approaches, beginnings of unassigned injunctions and disjunctions, in short, difficult alliances that open cracks in a supposedly cohesive history, chained in its apparent linearity with no remains, understood as a categorical historical imperative. Interstices are minority fields that, because of their opening, are capable of causing opacity in that which, apparently, presents itself with irreducible clarity. Resulting from an incomplete and maladjusted [at the least dual] marriage between the signs/entities that originate them, this interval may destabilize and cause disorder in these entities and their own meanings. The interstitials offer a hyphenated relationship: a simultaneous union and separation, a spacing between the entity’s identity and its otherness or, alterity. One and the other may no longer be seen without the crack or fissure that now separates them, uniting, by a space-time lapse. Ontological, semantic shifts are caused by this fissure, an absence between one and the other, one with and against the other. Based on an improbable approximation between some conceptual and semantic shifts within the design production of architect Rem Koolhaas and the textual production of the philosopher Jacques Derrida, this article questions the notion of unity, coherence, affinity, and complementarity in the process of construction of thought from these ontological, epistemological, and semiological fissures that rattle the signs/entities and their stable meanings. Fissures in a thought that is considered coherent, cohesive, formatted are the negativity that constitutes the interstices that allow us to move towards what still remains as non-identity, which allows us to begin another story.

Keywords: Clearing, interstice, negative, remnant, spectrum.

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Authors: J. Prakash, K. Rajesh

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In this paper, we introduce a new method for elliptical object identification. The proposed method adopts a hybrid scheme which consists of Eigen values of covariance matrices, Circular Hough transform and Bresenham-s raster scan algorithms. In this approach we use the fact that the large Eigen values and small Eigen values of covariance matrices are associated with the major and minor axial lengths of the ellipse. The centre location of the ellipse can be identified using circular Hough transform (CHT). Sparse matrix technique is used to perform CHT. Since sparse matrices squeeze zero elements and contain a small number of nonzero elements they provide an advantage of matrix storage space and computational time. Neighborhood suppression scheme is used to find the valid Hough peaks. The accurate position of circumference pixels is identified using raster scan algorithm which uses the geometrical symmetry property. This method does not require the evaluation of tangents or curvature of edge contours, which are generally very sensitive to noise working conditions. The proposed method has the advantages of small storage, high speed and accuracy in identifying the feature. The new method has been tested on both synthetic and real images. Several experiments have been conducted on various images with considerable background noise to reveal the efficacy and robustness. Experimental results about the accuracy of the proposed method, comparisons with Hough transform and its variants and other tangential based methods are reported.

Keywords: Circular Hough transform, covariance matrix, Eigen values, ellipse detection, raster scan algorithm.

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Authors: Tom Dowling, Adam Duffy

Abstract:

This paper presents an architecture to assist in the development of tools to perform experimental analysis. Existing implementations of tools based on this architecture are also described in this paper. These tools are applied to the real world problem of fault attack emulation and detection in cryptographic algorithms.

Keywords: Software Architectures and Design, Software Componentsand Reuse, Engineering Secure Software.

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Authors: Hasanifard Goran, Habib Nejad Korayem Moharam, Nikoobin Amin

Abstract:

A new robust nonlinear control scheme of a manipulator is proposed in this paper which is robust against modeling errors and unknown disturbances. It is based on the principle of variable structure control, with sliding mode control (SMC) method. The variable structure control method is a robust method that appears to be well suited for robotic manipulators because it requers only bounds on the robotic arm parameters. But there is no single systematic procedure that is guaranteed to produce a suitable control law. Also, to reduce chattring of the control signal, we replaced the sgn function in the control law by a continuous approximation such as tangant function. We can compute the maximum load with regard to applied torque into joints. The effectivness of the proposed approach has been evaluated analitically demonstrated through computer simulations for the cases of variable load and robot arm parameters.

Keywords: Variable structure control, robust control, switching surface, robot manipulator.

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Authors: M. Asato, C. Liu, N. Fujima, T. Hoshino, Y. Chen, T. Mohri

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We study the temperature dependence of the interaction energies (IEs) of X (=Ru, Rh) impurities in Pd, due to the Fermi-Dirac (FD) distribution and the thermal vibration effect by the Debye-Grüneisen model. The n-body (n=2~4) IEs among X impurities in Pd, being used to calculate the internal energies in the free energies of the Pd-rich PdX alloys, are determined uniquely and successively from the lower-order to higher-order, by the full-potential Korringa-Kohn-Rostoker Green’s function method (FPKKR), combined with the generalized gradient approximation in the density functional theory. We found that the temperature dependence of IEs due to the FD distribution, being usually neglected, is very important to reproduce the X-concentration dependence of the observed solvus temperatures of the Pd-rich PdX (X=Ru, Rh) alloys.

Keywords: Full-potential KKR-Green’s function method, Fermi-Dirac distribution, GGA, phase diagram of Pd-rich PdX (X=Ru, Rh) alloys, thermal vibration effect.

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Authors: M. Al-Sugheir, M. Sakhreya, G. Alna'washi, F. Al-Dweri

Abstract:

In this work, the condensation fraction and transition temperature of neutral many bosonic system are studied within the static fluctuation approximation (SFA). The effect of the potential parameters such as the strength and range on the condensate fraction was investigated. A model potential consisting of a repulsive step potential and an attractive potential well was used. As the potential strength or the core radius of the repulsive part increases, the condensation fraction is found to be decreased at the same temperature. Also, as the potential depth or the range of the attractive part increases, the condensation fraction is found to be increased. The transition temperature is decreased as the potential strength or the core radius of the repulsive part increases, and it increases as the potential depth or the range of the attractive part increases.

Keywords: About four key words or phrases in alphabetical order, separated by commas

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Authors: G. Martino, F. Silva, E. Marchal

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The control over delivered iron ore blend characteristics is one of the most important aspects of the mining business. The iron ore price is a function of its composition, which is the outcome of the beneficiation process. So, end-to-end integrated planning of mine operations can reduce risks of penalties on the iron ore price. In a standard iron mining company, the production chain is composed of mining, ore beneficiation, and client supply. When mine planning and client supply decisions are made uncoordinated, the beneficiation plant struggles to deliver the best blend possible. Technological improvements in several fields allowed bridging the gap between departments and boosting integrated decision-making processes. Clusterization and classification algorithms over historical production data generate reasonable previsions for quality and volume of iron ore produced for each pile of run-of-mine (ROM) processed. Mathematical modeling can use those deterministic relations to propose iron ore blends that better-fit specifications within a delivery schedule. Additionally, a model capable of representing the whole production chain can clearly compare the overall impact of different decisions in the process. This study shows how flexibilization combined with a planning optimization model between the mine and the ore beneficiation processes can reduce risks of out of specification deliveries. The model capabilities are illustrated on a hypothetical iron ore mine with magnetic separation process. Finally, this study shows ways of cost reduction or profit increase by optimizing process indicators across the production chain and integrating the different plannings with the sales decisions.

Keywords: Clusterization and classification algorithms, integrated planning, optimization, mathematical modeling, penalty minimization.

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Authors: Marasovic Branka, Aljinovic Zdravka, Poklepovic Tea

Abstract:

Numerical methods like binomial and trinomial trees and finite difference methods can be used to price a wide range of options contracts for which there are no known analytical solutions. American options are the most famous of that kind of options. Besides numerical methods, American options can be valued with the approximation formulas, like Bjerksund-Stensland formulas from 1993 and 2002. When the value of American option is approximated by Bjerksund-Stensland formulas, the computer time spent to carry out that calculation is very short. The computer time spent using numerical methods can vary from less than one second to several minutes or even hours. However to be able to conduct a comparative analysis of numerical methods and Bjerksund-Stensland formulas, we will limit computer calculation time of numerical method to less than one second. Therefore, we ask the question: Which method will be most accurate at nearly the same computer calculation time?

Keywords: Bjerksund and Stensland approximations, Computational analysis, Finance, Options pricing, Numerical methods.

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Authors: G.H. Farrahi, S.A. Faghidian, D.J. Smith

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A thin layer on the component surface can be found with high tensile residual stresses, due to turning operations, which can dangerously affect the fatigue performance of the component. In this paper an analytical approach is presented to reconstruct the residual stress field from a limited incomplete set of measurements. Airy stress function is used as the primary unknown to directly solve the equilibrium equations and satisfying the boundary conditions. In this new method there exists the flexibility to impose the physical conditions that govern the behavior of residual stress to achieve a meaningful complete stress field. The analysis is also coupled to a least squares approximation and a regularization method to provide stability of the inverse problem. The power of this new method is then demonstrated by analyzing some experimental measurements and achieving a good agreement between the model prediction and the results obtained from residual stress measurement.

Keywords: Residual stress, Limited measurements, Inverse problems, Turning process.

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Authors: Mansour Al Qubeissi, Sergei S. Sazhin, Cyril Crua, Morgan R. Heikal

Abstract:

This paper presents the application of the Discrete Component Model for heating and evaporation to multi-component biodiesel fuel droplets in direct injection internal combustion engines. This model takes into account the effects of temperature gradient, recirculation and species diffusion inside droplets. A distinctive feature of the model used in the analysis is that it is based on the analytical solutions to the temperature and species diffusion equations inside the droplets. Nineteen types of biodiesel fuels are considered. It is shown that a simplistic model, based on the approximation of biodiesel fuel by a single component or ignoring the diffusion of components of biodiesel fuel, leads to noticeable errors in predicted droplet evaporation time and time evolution of droplet surface temperature and radius.

Keywords: Heat/Mass Transfer, Biodiesel, Multi-component Fuel, Droplet, Evaporation.

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Authors: Alanoud Moraya Aldalan, Abdulaziz Almaleh

Abstract:

A crucial part of maintaining a customer-oriented business in the telecommunications industry is understanding the reasons and factors that lead to customer churn. Competition between telecom companies has greatly increased in recent years, which has made it more important to understand customers’ needs in this strong market. For those who are looking to turn over their service providers, understanding their needs is especially important. Predictive churn is now a mandatory requirement for retaining customers in the telecommunications industry. Machine learning can be used to accomplish this. Churn Prediction has become a very important topic in terms of machine learning classification in the telecommunications industry. Understanding the factors of customer churn and how they behave is very important to building an effective churn prediction model. This paper aims to predict churn and identify factors of customers’ churn based on their past service usage history. Aiming at this objective, the study makes use of feature selection, normalization, and feature engineering. Then, this study compared the performance of four different machine learning algorithms on the Orange dataset: Logistic Regression, Random Forest, Decision Tree, and Gradient Boosting. Evaluation of the performance was conducted by using the F1 score and ROC-AUC. Comparing the results of this study with existing models has proven to produce better results. The results showed the Gradients Boosting with feature selection technique outperformed in this study by achieving a 99% F1-score and 99% AUC, and all other experiments achieved good results as well.

Keywords: Machine Learning, Gradient Boosting, Logistic Regression, Churn, Random Forest, Decision Tree, ROC, AUC, F1-score.

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Authors: T. Zergoug, S.H. Abaidia, A. Nedjar, M. Y. Mokeddem

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Physical properties of uranium dinitride (UN2) were investigated in detail using first principle calculations based on density functional theory (DFT). To study the strong correlation effects due to 5f uranium valence electrons, the on-site coulomb interaction correction U via the Hubbard-like term (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard-U is strong like Young modulus but for others it is weakly noticeable such as bulk modulus. We noticed also that from U=7.5 eV, elastic results don’t agree with the cubic cell because of the C44 values which turn out to be negative.

Keywords: Ab initio, bulk modulus, DFT, DFT + U.

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Authors: R. C. J. Mphahlele, K. Bolton, H. Kasaini

Abstract:

Empirical force fields and density functional theory (DFT) was used to study the binding energies and structures of methylamine on the surface of activated carbons (ACs). This is a first step in studying the adsorption of alkyl amines on the surface of functionalized ACs. The force fields used were Dreiding (DFF), Universal (UFF) and Compass (CFF) models. The generalized gradient approximation with Perdew Wang 91 (PW91) functional was used for DFT calculations. In addition to obtaining the aminecarboxylic acid adsorption energies, the results were used to establish reliability of the empirical models for these systems. CFF predicted a binding energy of -9.227 (kcal/mol) which agreed with PW91 at - 13.17 (kcal/mol), compared to DFF 0 (kcal/mol) and UFF -0.72 (kcal/mol). However, the CFF binding energies for the amine to ester and ketone disagreed with PW91 results. The structures obtained from all models agreed with PW91 results.

Keywords: Activated Carbons, Binding energy, DFT, Force fields.

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Authors: Richard K. F. Lee, James M. Hill

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In this paper, we summarize recent work of the authors on nanocomputing memory devices. We investigate two memory devices, each comprising a charged metallofullerene and carbon nanotubes. The first device involves two open nanotubes of the same radius that are joined by a centrally located nanotube of a smaller radius. A metallofullerene is then enclosed inside the structure. The second device also involves a etallofullerene that is located inside a closed carbon nanotube. Assuming the Lennard-Jones interaction energy and the continuum approximation, for both devices, the metallofullerene has two symmetrically placed equal minimum energy positions. On one side the metallofullerene represents the zero information state and by applying an external electrical field, it can overcome the energy barrier, and pass from one end of the tube to the other, where the metallofullerene then represents the one information state.

Keywords: Carbon nanotube, continuous approach, energy barrier, Lennard-Jones potential, metallofullerene, nanomemory device.

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Authors: Mohamed M. Mousa, Aidarkhan Kaltayev

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The equations governing the flow of an electrically conducting, incompressible viscous fluid over an infinite flat plate in the presence of a magnetic field are investigated using the homotopy perturbation method (HPM) with Padé approximants (PA) and 4th order Runge–Kutta method (4RKM). Approximate analytical and numerical solutions for the velocity field and heat transfer are obtained and compared with each other, showing excellent agreement. The effects of the magnetic parameter and Prandtl number on velocity field, shear stress, temperature and heat transfer are discussed as well.

Keywords: Electrically conducting elastico-viscous fluid, symmetry solution, Homotopy perturbation method, Padé approximation, 4th order Runge–Kutta, Maple

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Authors: Laith Jaafer Habeeb

Abstract:

The present study is concerned with the free convective two dimensional flow and heat transfer, within the framework of Boussinesq approximation, in anisotropic fluid filled porous rectangular enclosure subjected to end-to-end temperature difference have been investigated using Lattice Boltzmann method fornon-Darcy flow model. Effects of the moving lid direction (top, bottom, left, and right wall moving in the negative and positive x&ydirections), number of moving walls (one or two opposite walls), the sliding wall velocity, and four different constant temperatures opposite walls cases (two surfaces are being insulated and the twoother surfaces areimposed to be at constant hot and cold temperature)have been conducted. The results obtained are discussed in terms of the Nusselt number, vectors, contours, and isotherms.

Keywords: Numerical simulation, lid-driven cavity flow, saturated porous medium, different velocity and heated walls.

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Authors: D. Adhikari, R. P. Koirala, B.P. Singh

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A self-association model has been used to understand the concentration dependence of free energy of mixing (GM), heat of mixing (HM), entropy of mixing (SM), activity (a) and microscopic structures, such as concentration fluctuation in long wavelength limit (Scc(0)) and Warren-Cowley short range order parameter ( 1 α )for Cu- Tl molten alloys at 1573K. A comparative study of surface tension of the alloys in the liquid state at that temperature has also been carried out theoretically as function of composition in the light of Butler-s model, Prasad-s model and quasi-chemical approach. Most of the computed thermodynamic properties have been found in agreement with the experimental values. The analysis reveals that the Cu-Tl molten alloys at 1573K represent a segregating system at all concentrations with moderate interaction. Surface tensions computed from different approaches have been found to be comparable to each other showing increment with the composition of copper.

Keywords: Concentration fluctuations, surface tension, thermodynamic properties, Quasi-chemical approximation.

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