Search results for: generalised gradient approximation

Authors: Yanwen Li, Shuguo Xie

Abstract:

In electromagnetic imaging, because of the diffraction limited system, the pixel values could change slowly near the edge of the image targets and they also change with the location in the same target. Using traditional digital image segmentation methods to segment electromagnetic gradient images could result in lots of errors because of this change in pixel values. To address this issue, this paper proposes a novel image segmentation and extraction algorithm based on Mean-Shift and dictionary learning. Firstly, the preliminary segmentation results from adaptive bandwidth Mean-Shift algorithm are expanded, merged and extracted. Then the overlap rate of the extracted image block is detected before determining a segmentation region with a single complete target. Last, the gradient edge of the extracted targets is recovered and reconstructed by using a dictionary-learning algorithm, while the final segmentation results are obtained which are very close to the gradient target in the original image. Both the experimental results and the simulated results show that the segmentation results are very accurate. The Dice coefficients are improved by 70% to 80% compared with the Mean-Shift only method.

Keywords: gradient image, segmentation and extract, mean-shift algorithm, dictionary iearning

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Authors: Hussaini Doko Ibrahim, Hamilton Cyprian Chinwenyi, Henrietta Nkem Ude

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In this paper, efforts were made to examine and compare the algorithmic iterative solutions of the conjugate gradient method as against other methods such as Gauss-Seidel and Jacobi approaches for solving systems of linear equations of the form Ax=b, where A is a real n×n symmetric and positive definite matrix. We performed algorithmic iterative steps and obtained analytical solutions of a typical 3×3 symmetric and positive definite matrix using the three methods described in this paper (Gauss-Seidel, Jacobi, and conjugate gradient methods), respectively. From the results obtained, we discovered that the conjugate gradient method converges faster to exact solutions in fewer iterative steps than the two other methods, which took many iterations, much time, and kept tending to the exact solutions.

Keywords: conjugate gradient, linear equations, symmetric and positive definite matrix, gauss-seidel, Jacobi, algorithm

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Authors: Selvakumar Ulaganathan, Ivo Couckuyt, Francesco Ferranti, Tom Dhaene, Eric Laermans

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Variable-fidelity surrogate modelling offers an efficient way to approximate function data available in multiple degrees of accuracy each with varying computational cost. In this paper, a Kriging-based variable-fidelity surrogate modelling approach is introduced to approximate such deterministic data. Initially, individual Kriging surrogate models, which are enhanced with gradient data of different degrees of accuracy, are constructed. Then these Gradient enhanced Kriging surrogate models are strategically coupled using a recursive CoKriging formulation to provide an accurate surrogate model for the highest fidelity data. While, intuitively, gradient data is useful to enhance the accuracy of surrogate models, the primary motivation behind this work is to investigate if it is also worthwhile incorporating gradient data of varying degrees of accuracy.

Keywords: Kriging, CoKriging, Surrogate modelling, Variable- fidelity modelling, Gradients

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Authors: Edlira Donefski, Lorenc Ekonomi, Tina Donefski

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Edgeworth approximation is one of the most important statistical methods that has a considered contribution in the reduction of the sum of standard deviation of the independent variables’ coefficients in a Quantile Regression Model. This model estimates the conditional median or other quantiles. In this paper, we have applied approximating statistical methods in an economical problem. We have created and generated a quantile regression model to see how the profit gained is connected with the realized sales of the cosmetic products in a real data, taken from a local business. The Linear Regression of the generated profit and the realized sales was not free of autocorrelation and heteroscedasticity, so this is the reason that we have used this model instead of Linear Regression. Our aim is to analyze in more details the relation between the variables taken into study: the profit and the finalized sales and how to minimize the standard errors of the independent variable involved in this study, the level of realized sales. The statistical methods that we have applied in our work are Edgeworth Approximation for Independent and Identical distributed (IID) cases, Bootstrap version of the Model and the Edgeworth approximation for Bootstrap Quantile Regression Model. The graphics and the results that we have presented here identify the best approximating model of our study.

Keywords: bootstrap, edgeworth approximation, IID, quantile

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Authors: A. Archibong-Eso, J. Shi, Y Baba, S. Alagbe, W. Yan, H. Yeung

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This study presents over 100 experiments conducted in a 25.4 mm internal diameter (ID) horizontal pipeline. Oil viscosity ranging from 3.5 Pa.s–5.0 Pa.s are used with superficial velocities of oil and water ranging from 0.06 to 0.55 m/s and 0.01 m/s to 1.0 m/s, respectively. Pressure gradient measurements and flow pattern observations are discussed. Numerical simulation of some flow conditions is performed using the commercial CFD code ANSYS Fluent® and the simulation results are compared with experimental results. Results indicate that CFD numerical simulation performed moderately well in predicting the flow configurations observed in this study while discrepancies were observed in the pressure gradient predictions.

Keywords: flow patterns, plug, pressure gradient, rivulet

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Authors: Morteza Mirhosseini, Amir B. Khoshnevis

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The boundary layer separation and new active flow control of a NACA 0025 airfoil were studied experimentally. This new flow control is sometimes known as a co-flow jet (cfj) airfoil. This paper presents the fluctuating velocity in a wall jet over the co-flow jet airfoil subjected to an adverse pressure gradient and a curved surface. In these results, the fluctuating velocity at the inner part increasing by increased the angle of attack up to 12^o and this has due to the jet energized, while the angle of attack 20^o has different. The airfoil cord based Reynolds number has 10⁵.

Keywords: adverse pressure gradient, fluctuating velocity, wall jet, co-flow jet airfoil

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Authors: Fernando Maass, Pablo Martin, Jorge Olivares

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The Bessel function J₀(x) is very important in Electrodynamics and Physics, as well as its zeros. In this work, a method to obtain high accuracy approximation is presented through an application to that function. In most of the applications of this function, the values of the zeros are very important. In this work, analytic approximations for this function have been obtained valid for all positive values of the variable x, which have high accuracy for the function as well as for the zeros. The approximation is determined by the simultaneous used of the power series and asymptotic expansion. The structure of the approximation is a combination of two rational functions with elementary functions as trigonometric and fractional powers. Here us in Pade method, rational functions are used, but now there combined with elementary functions us fractional powers hyperbolic or trigonometric functions, and others. The reason of this is that now power series of the exact function are used, but together with the asymptotic expansion, which usually includes fractional powers trigonometric functions and other type of elementary functions. The approximation must be a bridge between both expansions, and this can not be accomplished using only with rational functions. In the simplest approximation using 4 parameters the maximum absolute error is less than 0.006 at x ∼ 4.9. In this case also the maximum relative error for the zeros is less than 0.003 which is for the second zero, but that value decreases rapidly for the other zeros. The same kind of behaviour happens for the relative error of the maximum and minimum of the functions. Approximations with higher accuracy and more parameters will be also shown. All the approximations are valid for any positive value of x, and they can be calculated easily.

Keywords: analytic approximations, asymptotic approximations, Bessel functions, quasirational approximations

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Authors: Balachandra Kumaraswamy, P. G. Poonacha

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Automatic Music Information Retrieval has been one of the challenging topics of research for a few decades now with several interesting approaches reported in the literature. In this paper we have developed a pitch extraction method based on a finite Fourier series approximation to the given window of samples. We then estimate pitch as the fundamental period of the finite Fourier series approximation to the given window of samples. This method uses analysis of the strength of harmonics present in the signal to reduce octave as well as harmonic errors. The performance of our method is compared with three best known methods for pitch extraction, namely, Yin, Windowed Special Normalization of the Auto-Correlation Function and Harmonic Product Spectrum methods of pitch extraction. Our study with artificially created signals as well as music files show that Fourier Approximation method gives much better estimate of pitch with less octave and harmonic errors.

Keywords: pitch, fourier series, yin, normalization of the auto- correlation function, harmonic product, mean square error

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Authors: Diogo Silva, Fadul Rodor, Carlos Moraes

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This work compares the results of multidimensional function approximation using two algorithms: the classical Particle Swarm Optimization (PSO) and the Quantum Particle Swarm Optimization (QPSO). These algorithms were both tested on three functions - The Rosenbrock, the Rastrigin, and the sphere functions - with different characteristics by increasing their number of dimensions. As a result, this study shows that the higher the function space, i.e. the larger the function dimension, the more evident the advantages of using the QPSO method compared to the PSO method in terms of performance and number of necessary iterations to reach the stop criterion.

Keywords: PSO, QPSO, function approximation, AI, optimization, multidimensional functions

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Authors: Nishant Parashar, Sawan S. Sinha, Balaji Srinivasan

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We perform an investigation of the unclosed terms in the evolution equation of the velocity gradient tensor (VGT) in compressible decaying turbulent flow. Velocity gradients in a compressible turbulent flow field influence several important nonlinear turbulent processes like cascading and intermittency. In an attempt to understand the dynamics of the velocity gradients various researchers have tried to model the unclosed terms in the evolution equation of the VGT. The existing models proposed for these unclosed terms have limited applicability. This is mainly attributable to the complex structure of the higher order gradient terms appearing in the evolution equation of VGT. We investigate these higher order gradients using the data from direct numerical simulation (DNS) of compressible decaying isotropic turbulent flow. The gas kinetic method aided with weighted essentially non-oscillatory scheme (WENO) based flow- reconstruction is employed to generate DNS data. By applying neural-network to the DNS data, we map the structure of the unclosed higher order gradient terms in the evolution of the equation of the VGT with VGT itself. We validate our findings by performing alignment based study of the unclosed higher order gradient terms obtained using the neural network with the strain rate eigenvectors.

Keywords: compressible turbulence, neural network, velocity gradient tensor, direct numerical simulation

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Authors: Valeria Bondarenko

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We proposed algorithms for: estimation of parameters fBm (volatility and Hurst exponent) and for the approximation of random time series by functional of fBm. We proved the consistency of the estimators, which constitute the above algorithms, and proved the optimal forecast of approximated time series. The adequacy of estimation algorithms, approximation, and forecasting is proved by numerical experiment. During the process of creating software, the system has been created, which is displayed by the hierarchical structure. The comparative analysis of proposed algorithms with the other methods gives evidence of the advantage of approximation method. The results can be used to develop methods for the analysis and modeling of time series describing the economic, physical, biological and other processes.

Keywords: mathematical model, random process, Wiener process, fractional Brownian motion

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Authors: H. J. Kim, G. C. Park, K. C. Kim, J. H. Shin

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Cavities are frequently found beneath conduits on pile foundations in old embankments. Cavity reduces seepage length significantly and consequently causes piping failure of embankments. Case studies of embankment failures indicate that the relative settlement between ground and pile supported-concrete conduit was the main reason of the cavity. In this paper, an attempt to simulate the cavity-induced piping failure mechanism was made using finite element numerical method. Piping potential is examined by carrying out parametric study for influencing factors such as cavity length, water level, and flow conditions. The concentration of hydraulic gradient adjacent to cavity was found. It is found that the hydraulic gradient close to the cavity exceeds considerably the critical hydraulic gradient causing piping. Piping failure potential due to the existence of cavity is evaluated and contour map for the potential risk of an embankment for piping failure is proposed.

Keywords: cavity, hydraulic gradient, levee, piping

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Authors: Romisaa Ali

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The Policy Gradient approach is one of the deep reinforcement learning families that combines deep neural networks (DNN) with reinforcement learning RL to discover the optimum of the control problem through experience gained from the interaction between the robot and its surroundings. In contrast to earlier policy gradient algorithms, which were unable to handle these two types of error because of over-or under-estimation introduced by the deep neural network model, this article will discuss the state-of-the-art SOTA policy gradient technique, trust region policy optimization (TRPO), by applying this method in various environments compared to another policy gradient method, the Proximal Policy Optimization (PPO), to explain their robust optimization, using this SOTA to gather experience data during various training phases after observing the impact of hyper-parameters on neural network performance.

Keywords: deep neural networks, deep reinforcement learning, proximal policy optimization, state-of-the-art, trust region policy optimization

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Authors: Sirapat Lookrak, Anol Paisal

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Space debris has numerous manifestations, including ferro-metalize and non-ferrous. The electric field will induce negative charges to split from positive charges inside the space debris. In this research, we focus only on conducting materials. The assumption is that the electric charge density of a conducting surface is proportional to the electric field on that surface due to Gauss's Law. We are trying to find the induced charge density from an external electric field perpendicular to a conducting spherical surface. An object is a sphere on which the external electric field is not uniform. The electric field is, therefore, considered locally. The localised spherical surface is a tangent plane, so the Gaussian surface is a very small cylinder, and every point on a spherical surface has its own cylinder. The electric field from a circular electrode has been calculated in near-field and far-field approximation and shown Explanation Touchless maneuvering space debris orbit properties. The electric charge density calculation from a near-field and far-field approximation is done.

Keywords: near-field approximation, far-field approximation, localized Gauss’s law, electric charge density

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Authors: Hamza Rekab Djabri, Salah Daoud

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The present paper deals with the computational of structural and electronic properties of ThC and ThN compounds using density functional theory within generalized-gradient (GGA) apraximation and local density approximation (LDA). We employ the full potential linear muffin-tin orbitals (FP-LMTO) as implemented in the Lmtart code. We have used to examine structure parameter in eight different structures such as in NaCl (B1), CsCl (B2), ZB (B3), NiAs (B8), PbO (B10), Wurtzite (B4) , HCP (A3) βSn (A5) structures . The equilibrium lattice parameter, bulk modulus, and its pressure derivative were presented for all calculated phases. The calculated ground state properties are in good agreement with available experimental and theoretical results.

Keywords: DFT, GGA, LDA, properties structurales, ThC, ThN

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Authors: Saman Ghaffarian, Ilgin Gökaşar

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This paper presents a new automatic vehicle detection method from very high resolution aerial images to measure traffic density. The proposed method starts by extracting road regions from image using road vector data. Then, the road image is divided into equal sections considering resolution of the images. Gradient vectors of the road image are computed from edge map of the corresponding image. Gradient vectors on the each boundary of the sections are divided where the gradient vectors significantly change their directions. Finally, number of vehicles in each section is carried out by calculating the standard deviation of the gradient vectors in each group and accepting the group as vehicle that has standard deviation above predefined threshold value. The proposed method was tested in four very high resolution aerial images acquired from Istanbul, Turkey which illustrate roads and vehicles with diverse characteristics. The results show the reliability of the proposed method in detecting vehicles by producing 86% overall F1 accuracy value.

Keywords: aerial images, intelligent transportation systems, traffic density measurement, vehicle detection

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Authors: Preeti Sharma

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This paper deals with the Stancu type generalization of Lupaş-Durrmeyer operators. We establish some direct results in the polynomial weighted space of continuous functions defined on the interval [0, 1]. Also, Voronovskaja type theorem is studied.

Keywords: Lupas-Durrmeyer operators, polya distribution, weighted approximation, rate of convergence, modulus of continuity

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Authors: Liang Liu, Xiaopeng Luo

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In this paper, we propose an accelerated stochastic gradient method with momentum. The momentum term is the weighted average of generated gradients, and the weights decay inverse proportionally with the iteration times. Stochastic gradient descent with momentum (SGDM) uses weights that decay exponentially with the iteration times to generate the momentum term. Using exponential decay weights, variants of SGDM with inexplicable and complicated formats have been proposed to achieve better performance. However, the momentum update rules of our method are as simple as that of SGDM. We provide theoretical convergence analyses, which show both the exponential decay weights and our inverse proportional decay weights can limit the variance of the parameter moving directly to a region. Experimental results show that our method works well with many practical problems and outperforms SGDM.

Keywords: exponential decay rate weight, gradient descent, inverse proportional decay rate weight, momentum

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Authors: Wei-Jong Yang, Yu-Siang Su, Pau-Choo Chung, Jar-Ferr Yang

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Moving object detection (MOD) is an important issue in advanced driver assistance systems (ADAS). There are two important moving objects, pedestrians and scooters in ADAS. In real-world systems, there exist two important challenges for MOD, including the computational complexity and the detection accuracy. The histogram of oriented gradient (HOG) features can easily detect the edge of object without invariance to changes in illumination and shadowing. However, to reduce the execution time for real-time systems, the image size should be down sampled which would lead the outlier influence to increase. For this reason, we propose the histogram of uniformly-oriented gradient (HUG) features to get better accurate description of the contour of human body. In the testing phase, the support vector machine (SVM) with linear kernel function is involved. Experimental results show the correctness and effectiveness of the proposed method. With SVM classifiers, the real testing results show the proposed HUG features achieve better than classification performance than the HOG ones.

Keywords: moving object detection, histogram of oriented gradient, histogram of uniformly-oriented gradient, linear support vector machine

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Authors: Pu Ying-Chih, Yang Yin-Ju, Hang Jian-Yi, Jang Guang-Way

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Organic-Inorganic hybrid materials consisting of graded distributions of inorganic nano particles in organic polymer matrices were successfully prepared by the sol-gel process. Optical and surface properties of the resulting nano composites can be manipulated by changing their compositions and nano particle distribution gradients. Applications of gradient nano composite materials include sealants for LED packaging and screen lenses for smartphones. Optical transparency, prism coupler, TEM, SEM, Energy Dispersive X-ray Spectrometer (EDX), Izod impact strength, conductivity, pencil hardness, and thermogravimetric characterizations of the nano composites were performed and the results will be presented.

Keywords: Gradient, Hybrid, Nanocomposite, Organic-Inorganic

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Authors: Bry X., Trottier C., Mortier F., Cornu G., Verron T.

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We address component-based regularization of a Multivariate Generalized Linear Model (MGLM). A set of random responses Y is assumed to depend, through a GLM, on a set X of explanatory variables, as well as on a set T of additional covariates. X is partitioned into R conceptually homogeneous blocks X1, ... , XR , viewed as explanatory themes. Variables in each Xr are assumed many and redundant. Thus, Generalised Linear Regression (GLR) demands regularization with respect to each Xr. By contrast, variables in T are assumed selected so as to demand no regularization. Regularization is performed searching each Xr for an appropriate number of orthogonal components that both contribute to model Y and capture relevant structural information in Xr. We propose a very general criterion to measure structural relevance (SR) of a component in a block, and show how to take SR into account within a Fisher-scoring-type algorithm in order to estimate the model. We show how to deal with mixed-type explanatory variables. The method, named THEME-SCGLR, is tested on simulated data.

Keywords: Component-Model, Fisher Scoring Algorithm, GLM, PLS Regression, SCGLR, SEER, THEME

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Authors: Iman A. Saad, Loay E. George

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Iris pattern is an important biological feature of human body; it becomes very hot topic in both research and practical applications. In this paper, an algorithm is proposed for iris recognition and a simple, efficient and fast method is introduced to extract a set of discriminatory features using first order gradient operator applied on grayscale images. The gradient based features are robust, up to certain extents, against the variations may occur in contrast or brightness of iris image samples; the variations are mostly occur due lightening differences and camera changes. At first, the iris region is located, after that it is remapped to a rectangular area of size 360x60 pixels. Also, a new method is proposed for detecting eyelash and eyelid points; it depends on making image statistical analysis, to mark the eyelash and eyelid as a noise points. In order to cover the features localization (variation), the rectangular iris image is partitioned into N overlapped sub-images (blocks); then from each block a set of different average directional gradient densities values is calculated to be used as texture features vector. The applied gradient operators are taken along the horizontal, vertical and diagonal directions. The low order norms of gradient components were used to establish the feature vector. Euclidean distance based classifier was used as a matching metric for determining the degree of similarity between the features vector extracted from the tested iris image and template features vectors stored in the database. Experimental tests were performed using 2639 iris images from CASIA V4-Interival database, the attained recognition accuracy has reached up to 99.92%.

Keywords: iris recognition, contrast stretching, gradient features, texture features, Euclidean metric

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Authors: Wanhyun Cho, Seongchae Seo, Soonja Kang

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In this work, we propose a variational technique for image contrast enhancement which utilizes global and local information around each pixel. The energy functional is defined by a weighted linear combination of three terms which are called on a local, a global contrast term and dispersion term. The first one is a local contrast term that can lead to improve the contrast of an input image by increasing the grey-level differences between each pixel and its neighboring to utilize contextual information around each pixel. The second one is global contrast term, which can lead to enhance a contrast of image by minimizing the difference between its empirical distribution function and a cumulative distribution function to make the probability distribution of pixel values becoming a symmetric distribution about median. The third one is a dispersion term that controls the departure between new pixel value and pixel value of original image while preserving original image characteristics as well as possible. Second, we derive the Euler-Lagrange equation for true image that can achieve the minimum of a proposed functional by using the fundamental lemma for the calculus of variations. And, we considered the procedure that this equation can be solved by using a gradient decent method, which is one of the dynamic approximation techniques. Finally, by conducting various experiments, we can demonstrate that the proposed method can enhance the contrast of colour images better than existing techniques.

Keywords: color image, contrast enhancement technique, variational approach, Euler-Lagrang equation, dynamic approximation method, EME measure

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Authors: Jeong-Min Lee, Hyunwoo Song, Yonseok Kim, Junghan Yun, Jungin Byun, Jae-Mean Koo, Chang-Sung Seok

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The Thermal Barrier Coating (TBC) prevents heat directly transferring from the high-temperature flame to the substrate. Top coat and bond coat compose the TBC and top coat consists of a ceramic and bond coat increases adhesion between the top coat and the substrate. The TBC technology drops the substrate surface temperature by about 150~200°C. In addition, the TBC system has a cooling system to lower the blade temperature by the air flow inside the blade. Then, as a result, the thermal gradient occurs inside the blade by cooling. Also, the internal stress occurs due to the difference in thermal expansion. In this paper, the finite element analyses (FEA) were performed and stress changes were derived according to the thermal gradient of the TBC system. The stress was increased due to the cooling, but difference of the stress between the top coat and bond coat was decreased. So, delamination in the interface between top coat and bond coat.

Keywords: gas turbine blade, Thermal Barrier Coating (TBC), thermal gradient, Finite Element Analysis (FEA)

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Authors: Muhammad Danladi, Muhammad Bura Garba, Muhammad Yahaya, Dahiru Muhammad

Abstract:

Biomass is one of the primary sources of energy supply, which contributes to about 78% of Nigeria. In this work, a comparative analysis of the heating values of sawdust and rice husks in the thermal generation of electricity was carried out. In the study, different masses of biomass were used and the corresponding electromotive force in millivolts was obtained. A graph of e.m.f was plotted against the mass of each biomass and a gradient was obtained. Bar graphs were plotted to represent the values of e.m.f and masses of the biomass. Also, a graph of e.m.f against eating values of sawdust and rice husks was plotted, and in each case, as the e.m.f increases also, the heating values increases. The result shows that saw dust with 0.033Mv/g gradient and 3.5 points of intercept had the highest gradient, followed by rice husks with 0.026Mv/g gradient and 2.6 points of intercept. It is, therefore, concluded that sawdust is the most efficient of the two types of biomass in the thermal generation of electricity.

Keywords: biomass, electricity, thermal, generation

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Authors: Najrullah Khan, Athar Ali Khan

Abstract:

The Topp-Leone distribution was introduced by Topp- Leone in 1955. In this paper, an attempt has been made to fit Topp-Leone Generalized exponential (TPGE) distribution. A real survival data set is used for illustrations. Implementation is done using R and JAGS and appropriate illustrations are made. R and JAGS codes have been provided to implement censoring mechanism using both optimization and simulation tools. The main aim of this paper is to describe and illustrate the Bayesian modelling approach to the analysis of survival data. Emphasis is placed on the modeling of data and the interpretation of the results. Crucial to this is an understanding of the nature of the incomplete or 'censored' data encountered. Analytic approximation and simulation tools are covered here, but most of the emphasis is on Markov chain based Monte Carlo method including independent Metropolis algorithm, which is currently the most popular technique. For analytic approximation, among various optimization algorithms and trust region method is found to be the best. In this paper, TPGE model is also used to analyze the lifetime data in Bayesian paradigm. Results are evaluated from the above mentioned real survival data set. The analytic approximation and simulation methods are implemented using some software packages. It is clear from our findings that simulation tools provide better results as compared to those obtained by asymptotic approximation.

Keywords: Bayesian Inference, JAGS, Laplace Approximation, LaplacesDemon, posterior, R Software, simulation

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Authors: Zaid Jamal Saeed Almahmoud

Abstract:

Smart grid is emerging as the future power grid, with smart techniques to optimize power consumption and electricity generation. Minimizing peak power consumption under a fixed delay requirement is a significant problem in the smart grid.For this problem, all appliances must be scheduled within a given finite time duration. We consider the problem of minimizing the peak demand under appliances constraints by scheduling power jobs with uniform release dates and deadlines. As the problem is known to be NP-hard, we analyze the performance of a version of the natural greedy heuristic for solving this problem. Our theoretical analysis and experimental results show that the proposed heuristic outperforms existing methods by providing a better approximation to the optimal solution.

Keywords: peak demand scheduling, approximation algorithms, smart grid, heuristics

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Authors: Hassan Manouzi

Abstract:

We present in this paper a useful strategy to solve stochastic partial differential equations (SPDEs) involving stochastic coefficients. Using the Wick-product of higher order and the Wiener-Itˆo chaos expansion, the SPDEs is reformulated as a large system of deterministic partial differential equations. To reduce the computational complexity of this system, we shall use a decomposition-coordination method. To obtain the chaos coefficients in the corresponding deterministic equations, we use a least square formulation. Once this approximation is performed, the statistics of the numerical solution can be easily evaluated.

Keywords: least squares, wick product, SPDEs, finite element, wiener chaos expansion, gradient method

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Authors: B. Bouadjemi, S. Bentata, W. Benstaali, A. Abbad, T. Lantri, A. Zitouni

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The purpose of this study was to investigate the structural,electronic and magnetic properties of the cubic praseodymium oxides perovskites PrMnO3. It includes our calculations based on the use of the density functional theory (DFT) with both generalized gradient approximation (GGA) and GGA+U approaches, The spin polarized electronic band structures and densities of states as well as the integer value of the magnetic moment of the unit cell (6 μB) illustrate that PrMnO3 is half-metallic ferromagnetic. The study prove that the compound is half-metallic ferromagnetic however the results obtained, make the cubic PrMnO3 a promising candidate for application in spintronics.

Keywords: cubic, DFT, electronic properties, magnetic moment, spintronics

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Authors: G. Patricia Abdel Rahim, Jairo Arbey Rodriguez M, María Guadalupe Moreno Armenta

Abstract:

The present study shows the structural, electronic and magnetic properties of magnesium (Mg) and bismuth (Bi) in a supercell (1X1X5). For both materials were studied in five crystalline structures: rock salt (NaCl), cesium chloride (CsCl), zinc-blende (ZB), wurtzite (WZ), and nickel arsenide (NiAs), using the Density Functional Theory (DFT), the Generalized Gradient Approximation (GGA), and the Full Potential Linear Augmented Plane Wave (FP-LAPW) method. By means of fitting the Murnaghan's state equation we determine the lattice constant, the bulk modulus and it's derived with the pressure. Also we calculated the density of states (DOS) and the band structure.

Keywords: bismuth, magnesium, pseudo-potential, supercell

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