Search results for: token derivatives.

Authors: J. Arneric, A. Rozga

Abstract:

In this paper usefulness of quasi-Newton iteration procedure in parameters estimation of the conditional variance equation within BHHH algorithm is presented. Analytical solution of maximization of the likelihood function using first and second derivatives is too complex when the variance is time-varying. The advantage of BHHH algorithm in comparison to the other optimization algorithms is that requires no third derivatives with assured convergence. To simplify optimization procedure BHHH algorithm uses the approximation of the matrix of second derivatives according to information identity. However, parameters estimation in a/symmetric GARCH(1,1) model assuming normal distribution of returns is not that simple, i.e. it is difficult to solve it analytically. Maximum of the likelihood function can be founded by iteration procedure until no further increase can be found. Because the solutions of the numerical optimization are very sensitive to the initial values, GARCH(1,1) model starting parameters are defined. The number of iterations can be reduced using starting values close to the global maximum. Optimization procedure will be illustrated in framework of modeling volatility on daily basis of the most liquid stocks on Croatian capital market: Podravka stocks (food industry), Petrokemija stocks (fertilizer industry) and Ericsson Nikola Tesla stocks (information-s-communications industry).

Keywords: Heteroscedasticity, Log-likelihood Maximization, Quasi-Newton iteration procedure, Volatility.

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Authors: Parvaneh Shabanzadeh, Malik Hj Abu Hassan, Leong Wah June, Maryam Mohagheghtabar

Abstract:

Clustering is one of an interesting data mining topics that can be applied in many fields. Recently, the problem of cluster analysis is formulated as a problem of nonsmooth, nonconvex optimization, and an algorithm for solving the cluster analysis problem based on nonsmooth optimization techniques is developed. This optimization problem has a number of characteristics that make it challenging: it has many local minimum, the optimization variables can be either continuous or categorical, and there are no exact analytical derivatives. In this study we show how to apply a particular class of optimization methods known as pattern search methods to address these challenges. These methods do not explicitly use derivatives, an important feature that has not been addressed in previous studies. Results of numerical experiments are presented which demonstrate the effectiveness of the proposed method.

Keywords: Clustering functions, Non-smooth Optimization, Nonconvex Optimization, Pattern Search Method.

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Authors: Abdulfattah M. Alkherraz, Zaineb I. Lusta, Ahmed E. Zubi

Abstract:

The environmental pollution by heavy metals became  more problematic nowadays. To solve the problem of Cadmium  accumulation in human organs which lead to dangerous effects on  human health, and to determine its concentration, the organic legand  1-phenyl-3-benzoyl-2-thiourea was used to extract the cadmium ions  from its solution. This legand as one of thiourea derivatives was  successfully synthesized. The legand was characterized by NMR and  CHN elemental analysis, and used to extract the cadmium from its  solutions by formation of a stable complex at neutral pH. The  complex was characterized by elemental analysis and melting point.  The concentrations of cadmium ions before and after the extraction  were determined by Atomic Absorption Spectrophotometer (AAS).  The data show the percentage of the extract was more than 98.7% of  the concentration of cadmium used in the study

Keywords: Thiourea derivatives, cadmium extraction.

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Authors: Piotr Prewysz-Kwinto

Abstract:

The market of financial instruments with high risk is developing very dynamically in recent years and attracts more and more interest of investors. It consists essentially of two groups of instruments, i.e. derivatives and exchange traded product (ETP), and each year new types are introduced and offered to investors. The aim of this paper is to present the principles concerning financial instruments with high investment risk available on the Warsaw Stock Exchange (WSE), because they have quite complex constructions, and to evaluate the development of this market. In order to achieve this aim, statistical data from 2014-2016 was analyzed. The results confirm that the financial instruments with high investment risk available on the WSE constitute a diversified and the most numerous group of financial instruments and attract the most interest of investors. Responsible investing requires, however, a good knowledge of how they work and how they can generate profit to not expose oneself to unexpected losses.

Keywords: Derivatives, exchange traded products, financial instruments, financial market, risk, stock exchange.

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Authors: Shujun Fu, Qiuqi Ruan, Wenqia Wang, Yu Li

Abstract:

Utilizing echoic intension and distribution from different organs and local details of human body, ultrasonic image can catch important medical pathological changes, which unfortunately may be affected by ultrasonic speckle noise. A feature preserving ultrasonic image denoising and edge enhancement scheme is put forth, which includes two terms: anisotropic diffusion and edge enhancement, controlled by the optimum smoothing time. In this scheme, the anisotropic diffusion is governed by the local coordinate transformation and the first and the second order normal derivatives of the image, while the edge enhancement is done by the hyperbolic tangent function. Experiments on real ultrasonic images indicate effective preservation of edges, local details and ultrasonic echoic bright strips on denoising by our scheme.

Keywords: anisotropic diffusion, coordinate transformationdirectional derivatives, edge enhancement, hyperbolic tangentfunction, image denoising.

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Authors: Yahya H. Zweiri

Abstract:

The back-propagation algorithm calculates the weight changes of an artificial neural network, and a two-term algorithm with a dynamically optimal learning rate and a momentum factor is commonly used. Recently the addition of an extra term, called a proportional factor (PF), to the two-term BP algorithm was proposed. The third term increases the speed of the BP algorithm. However, the PF term also reduces the convergence of the BP algorithm, and optimization approaches for evaluating the learning parameters are required to facilitate the application of the three terms BP algorithm. This paper considers the optimization of the new back-propagation algorithm by using derivative information. A family of approaches exploiting the derivatives with respect to the learning rate, momentum factor and proportional factor is presented. These autonomously compute the derivatives in the weight space, by using information gathered from the forward and backward procedures. The three-term BP algorithm and the optimization approaches are evaluated using the benchmark XOR problem.

Keywords: Neural Networks, Backpropagation, Optimization.

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Authors: Shujun Fu, Qiuqi Ruan, Wenqia Wang, Yu Li

Abstract:

Utilizing echoic intension and distribution from different organs and local details of human body, ultrasonic image can catch important medical pathological changes, which unfortunately may be affected by ultrasonic speckle noise. A feature preserving ultrasonic image denoising and edge enhancement scheme is put forth, which includes two terms: anisotropic diffusion and edge enhancement, controlled by the optimum smoothing time. In this scheme, the anisotropic diffusion is governed by the local coordinate transformation and the first and the second order normal derivatives of the image, while the edge enhancement is done by the hyperbolic tangent function. Experiments on real ultrasonic images indicate effective preservation of edges, local details and ultrasonic echoic bright strips on denoising by our scheme.

Keywords: anisotropic diffusion, coordinate transformation, directional derivatives, edge enhancement, hyperbolic tangent function, image denoising.

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Authors: M. E. Khalifa, A. A. Gobouri

Abstract:

Potential synthesis of a series of 3-amino-4-arylazothiophene derivatives from reaction of 2-cyano-2-phenylthiocarbamoyl acetamide and the appropriate α-halogenated reagents, followed by coupling with different aryl diazonium salts (Japp-Klingemann reaction), and another series of 5-arylazo-thiazol-2-ylcarbamoyl-thiophene derivatives from base-catalyzed intramolecular condensation of 5-arylazo-2-(N-chloroacetyl)amino-thiazole with selected b-keto compounds (Thorpe-Ziegler reaction) was performed. The biological activity of the two series was studied in vitro. Their versatility for pharmaceutical purposes was reported, where they displayed remarkable activities against selected pathogenic microorganisms; Bacillus subtilis, Staphylococcus aureus (Gram positive bacteria), Escherichia coli, Pseudomonas aeruginosa (Gram negative bacteria), and Aspergillus flavus, Candida albicans (fungi) with various degrees related to their chemical structures.

Keywords: 2-Aminothiazole, antimicrobial, monoazo compounds, thiophene, pathogenic microorganisms.

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Authors: Shujun Fu, Qiuqi Ruan, Wenqia Wang

Abstract:

Image interpolation is a common problem in imaging applications. However, most interpolation algorithms in existence suffer visually the effects of blurred edges and jagged artifacts in the image to some extent. This paper presents an adaptive feature preserving bidirectional flow process, where an inverse diffusion is performed to sharpen edges along the normal directions to the isophote lines (edges), while a normal diffusion is done to remove artifacts (“jaggies") along the tangent directions. In order to preserve image features such as edges, corners and textures, the nonlinear diffusion coefficients are locally adjusted according to the directional derivatives of the image. Experimental results on synthetic images and nature images demonstrate that our interpolation algorithm substantially improves the subjective quality of the interpolated images over conventional interpolations.

Keywords: anisotropic diffusion, bidirectional flow, directional derivatives, edge enhancement, image interpolation, inverse flow, shock filter.

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Authors: M. Shahar Yar, M. Mustaqeem Abdullah, Jaseela Majeed

Abstract:

A series of 1-(1H-benzimidazol-2-yl)-3-(substituted phenyl)-2-propen-1-one were allowed to react with hydrazine hydrate and phenyl hydrazine in submitted reactions to get pyrazoline and phenyl pyrazoline derivatives. All the compounds entered for screening at the Tuberculosis Antimicrobial Acquisition and Coordinating Facility (TAACF) for their in vitro antibacterial activity against Mycobacterium tuberculosis H37Rv strain (ATCC 27294) using Microplate Alamar Blue Assay (MABA) susceptibility test. The results expressed as MIC (minimum inhibitory concentration) in μg/mL. Among the fifteen compounds, eight compounds were found to have MIC values less than 10 μg/mL. These were subjected for cytotoxicity assay in VERO cells to determine CC50 (cytotoxic concentration 50%) values and finally SI (Selectivity Index) were calculated. Compound (XV) 2-[5-(4- fluorophenyl)-1-phenyl-4,5-dihydro-1H-3-pyrazolyl]-1Hbenzimidazole was considered the best candidate of the series that could be a good starting point to develop new lead compounds in the fight against tuberculosis.

Keywords: anti-tubercular activity, benzimidazole, pyrazoline.

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Authors: Abdelhakam A. Noreldien, Sakhr B. Abudarag, Muslim S. Eltoum, Salih O. Osman

Abstract:

This paper presents an analytical study of Small Unmanned Aerial Vehicle (SUAV) dynamic stability derivatives. Simulating SUAV dynamics and analyzing its behavior at the earliest design stages is too important and more efficient design aspect. The approach suggested in this paper is using the wind tunnel experiment to collect the aerodynamic data and get the dynamic stability derivatives. AutoCAD Software was used to draw the case study (wildlife surveillance SUAV). The SUAV is scaled down to be 0.25% of the real SUAV dimensions and converted to a wind tunnel model. The model was tested in three different speeds for three different attitudes which are; pitch, roll and yaw. The wind tunnel results were then used to determine the case study stability derivative values, and hence it used to calculate the roots of the characteristic equation for both longitudinal and lateral motions. Finally, the characteristic equation roots were found and discussed in all possible cases.

Keywords: Model, simulating, SUAV, wind tunnel.

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Authors: Kazuaki Maeda

Abstract:

This paper proposes a new technique to detect code clones from the lexical and syntactic point of view, which is based on PALEX source code representation. The PALEX code contains the recorded parsing actions and also lexical formatting information including white spaces and comments. We can record a list of parsing actions (shift, reduce, and reading a token) during a compiling process after a compiler finishes analyzing the source code. The proposed technique has advantages for syntax sensitive approach and language independency.

Keywords: Code Clones, Source Code Representation, XML, Parser, Parser Generator

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Authors: F. Caliskan

Abstract:

This paper presents a Neural Network (NN) identification of icing parameters in an A340 aircraft and a reconfiguration technique to keep the A/C performance close to the performance prior to icing. Five aircraft parameters are assumed to be considerably affected by icing. The off-line training for identifying the clear and iced dynamics is based on the Levenberg-Marquard Backpropagation algorithm. The icing parameters are located in the system matrix. The physical locations of the icing are assumed at the right and left wings. The reconfiguration is based on the technique known as the control mixer approach or pseudo inverse technique. This technique generates the new control input vector such that the A/C dynamics is not much affected by icing. In the simulations, the longitudinal and lateral dynamics of an Airbus A340 aircraft model are considered, and the stability derivatives affected by icing are identified. The simulation results show the successful NN identification of the icing parameters and the reconfigured flight dynamics having the similar performance before the icing. In other words, the destabilizing icing affect is compensated.

Keywords: Aircraft Icing, Stability Derivatives, Neural NetworkIdentification, Reconfiguration.

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Authors: Jung-hoon Lee, Eung Tai Kim, Byung-hee Chang, In-hee Hwang, Dae-sung Lee

Abstract:

The accuracy of estimated stability and control derivatives of a light aircraft from flight test data were evaluated. The light aircraft, named ChangGong-91, is the first certified aircraft from the Korean government. The output error method, which is a maximum likelihood estimation technique and considers measurement noise only, was used to analyze the aircraft responses measures. The multi-step control inputs were applied in order to excite the short period mode for the longitudinal and Dutch-roll mode for the lateral-directional motion. The estimated stability/control derivatives of Chan Gong-91 were analyzed for the assessment of handling qualities comparing them with those of similar aircraft. The accuracy of the flight derivative estimates derived from flight test measurement was examined in engineering judgment, scatter and Cramer-Rao bound, which turned out to be satisfactory with minor defects..

Keywords: Light Aircraft, Flight Test, Accuracy, Engineering Judgment, Scatter, Cramer-Rao Bound

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Authors: Song Meng, Dianfu Ma, Yongwang Zhao, Jianxin Li

Abstract:

Cooperative visual modeling is more and more necessary in our complicated world. A collaborative environment which supports interactive operation and communication is required to increase work efficiency. We present a collaborative visual modeling framework which collaborative platform could be built on. On this platform, cooperation and communication is available for designers from different regions. This framework, which is different from other collaborative frameworks, contains a uniform message format, a message handling mechanism and other functions such as message pretreatment and Role-Communication-Token Access Control (RCTAC). We also show our implementation of this framework called Orchestra Designer, which support BPLE workflow modeling cooperatively online.

Keywords: colllaborative framework; visual modeling; message handling mechanism

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Authors: Suman Bala, Sunil Kamboj, Vipin Saini

Abstract:

Quantitative Structure Activity Relationship (QSAR) analysis has been developed to relate antifungal activity of novel substituted 1,3,4-oxadiazole against Candida albicans and Aspergillus niger using computer assisted multiple regression analysis. The study has shown the better relationship between antifungal activities with respect to various descriptors established by multiple regression analysis. The analysis has shown statistically significant correlation with R² values 0.932 and 0.782 against Candida albicans and Aspergillus niger respectively. These derivatives were further subjected to molecular docking studies to investigate the interactions between the target compounds and amino acid residues present in the active site of glucosamine-6-phosphate synthase. All the synthesized compounds have better docking score as compared to standard fluconazole. Our results could be used for the further design as well as development of optimal and potential antifungal agents.

Keywords: 1, 3, 4-Oxadiazole, QSAR, Multiple linear regression, Docking, Glucosamine-6-Phosphate Synthase.

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Authors: Dmitry Yu. Korulkin, Raissa A. Muzychkina

Abstract:

In review the generalized data about biosynthetic routs formation anthraquinone molecules in natural cells. The basic possibilities of various ways of biosynthesis of different quinoid substances are shown.

Keywords: Anthraquinones, biochemical evolution, biosynthesis, metabolism.

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Authors: Fuzhang Zhao

Abstract:

Particle swarm optimization (PSO) is becoming one of the most important swarm intelligent paradigms for solving global optimization problems. Although some progress has been made to improve PSO algorithms over the last two decades, additional work is still needed to balance parameters to achieve better numerical properties of accuracy, efficiency, and stability. In the optimal PSO algorithm, the optimal weightings of (√ 5 − 1)/2 and (3 − √5)/2 are used for the cognitive factor and the social factor, respectively. By the same token, the same optimal weightings have been applied for intensification searches and diversification searches, respectively. Perturbation and constriction effects are optimally balanced. Simulations of the de Jong, the Rosenbrock, and the Griewank functions show that the optimal PSO algorithm indeed achieves better numerical properties and outperforms the canonical PSO algorithm.

Keywords: Diversification search, intensification search, optimal weighting, particle swarm optimization.

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Authors: Rafik Djemili, Mouldi Bedda, Hocine Bourouba

Abstract:

This paper proposes a novel approach that combines statistical models and support vector machines. A hybrid scheme which appropriately incorporates the advantages of both the generative and discriminant model paradigms is described and evaluated. Support vector machines (SVMs) are trained to divide the whole speakers' space into small subsets of speakers within a hierarchical tree structure. During testing a speech token is assigned to its corresponding group and evaluation using gaussian mixture models (GMMs) is then processed. Experimental results show that the proposed method can significantly improve the performance of text independent speaker identification task. We report improvements of up to 50% reduction in identification error rate compared to the baseline statistical model.

Keywords: Speaker identification, Gaussian mixture model (GMM), support vector machine (SVM), hybrid GMM/SVM.

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Authors: Kamaldeep Kaur, Arvinder Kaur, Ruchika Malhotra

Abstract:

The aim of this paper is to rank the impact of Object Oriented(OO) metrics in fault prediction modeling using Artificial Neural Networks(ANNs). Past studies on empirical validation of object oriented metrics as fault predictors using ANNs have focused on the predictive quality of neural networks versus standard statistical techniques. In this empirical study we turn our attention to the capability of ANNs in ranking the impact of these explanatory metrics on fault proneness. In ANNs data analysis approach, there is no clear method of ranking the impact of individual metrics. Five ANN based techniques are studied which rank object oriented metrics in predicting fault proneness of classes. These techniques are i) overall connection weights method ii) Garson-s method iii) The partial derivatives methods iv) The Input Perturb method v) the classical stepwise methods. We develop and evaluate different prediction models based on the ranking of the metrics by the individual techniques. The models based on overall connection weights and partial derivatives methods have been found to be most accurate.

Keywords: Artificial Neural Networks (ANNS), Backpropagation, Fault Prediction Modeling.

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Authors: Appanah Rao Appadu, Muhammad Zaid Dauhoo

Abstract:

In this paper, we have combined some spatial derivatives with the optimised time derivative proposed by Tam and Webb in order to approximate the linear advection equation which is given by = 0. Ôêé Ôêé + Ôêé Ôêé x f t u These spatial derivatives are as follows: a standard 7-point 6 th -order central difference scheme (ST7), a standard 9-point 8 th -order central difference scheme (ST9) and optimised schemes designed by Tam and Webb, Lockard et al., Zingg et al., Zhuang and Chen, Bogey and Bailly. Thus, these seven different spatial derivatives have been coupled with the optimised time derivative to obtain seven different finite-difference schemes to approximate the linear advection equation. We have analysed the variation of the modified wavenumber and group velocity, both with respect to the exact wavenumber for each spatial derivative. The problems considered are the 1-D propagation of a Boxcar function, propagation of an initial disturbance consisting of a sine and Gaussian function and the propagation of a Gaussian profile. It is known that the choice of the cfl number affects the quality of results in terms of dissipation and dispersion characteristics. Based on the numerical experiments solved and numerical methods used to approximate the linear advection equation, it is observed in this work, that the quality of results is dependent on the choice of the cfl number, even for optimised numerical methods. The errors from the numerical results have been quantified into dispersion and dissipation using a technique devised by Takacs. Also, the quantity, Exponential Error for Low Dispersion and Low Dissipation, eeldld has been computed from the numerical results. Moreover, based on this work, it has been found that when the quantity, eeldld can be used as a measure of the total error. In particular, the total error is a minimum when the eeldld is a minimum.

Keywords: Optimised time derivative, dissipation, dispersion, cfl number, Nomenclature: k : time step, h : spatial step, β :advection velocity, r: cfl/Courant number, hkrβ= , w =θ, h : exact wave number, n :time level, RPE : Relative phase error per unit time step, AFM :modulus of amplification factor

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Authors: Ali Shatnawi

Abstract:

Signal processing applications which are iterative in nature are best represented by data flow graphs (DFG). In these applications, the maximum sampling frequency is dependent on the topology of the DFG, the cyclic dependencies in particular. The determination of the iteration bound, which is the reciprocal of the maximum sampling frequency, is critical in the process of hardware implementation of signal processing applications. In this paper, a novel technique to compute the iteration bound is proposed. This technique is different from all previously proposed techniques, in the sense that it is based on the natural flow of tokens into the DFG rather than the topology of the graph. The proposed algorithm has lower run-time complexity than all known algorithms. The performance of the proposed algorithm is illustrated through analytical analysis of the time complexity, as well as through simulation of some benchmark problems.

Keywords: Data flow graph, Iteration period bound, Rateoptimalscheduling, Recursive DSP algorithms.

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Authors: Joselito Medina Marin, Norberto Hernández Romero, Juan Carlos Seck Tuoh Mora, Erick S. Martinez Gomez

Abstract:

The Flow Shop Scheduling Problem (FSSP) is a typical problem that is faced by production planning managers in Flexible Manufacturing Systems (FMS). This problem consists in finding the optimal scheduling to carry out a set of jobs, which are processed in a set of machines or shared resources. Moreover, all the jobs are processed in the same machine sequence. As in all the scheduling problems, the makespan can be obtained by drawing the Gantt chart according to the operations order, among other alternatives. On this way, an FMS presenting the FSSP can be modeled by Petri nets (PNs), which are a powerful tool that has been used to model and analyze discrete event systems. Then, the makespan can be obtained by simulating the PN through the token game animation and incidence matrix. In this work, we present an adaptive PN to obtain the makespan of FSSP by applying PN analytical tools.

Keywords: Flow-shop scheduling problem, makespan, Petri nets, state equation.

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Authors: Dmitry Yu. Korulkin, Raissa A. Muzychkina

Abstract:

In review the generalized data about different methods of extraction, separation and purification of natural and modify anthraquinones is presented. The basic regularity of an isolation process is analyzed. Action of temperature, pH, and polarity of extragent, catalysts and other factors on an isolation process is revealed.

Keywords: Anthraquinones, chromatography, extraction, phytopreparation, precipitation.

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Authors: Carlo Bellettini, Alessandro Marchetto, Andrea Trentini

Abstract:

Web applications have become very complex and crucial, especially when combined with areas such as CRM (Customer Relationship Management) and BPR (Business Process Reengineering), the scientific community has focused attention to Web applications design, development, analysis, and testing, by studying and proposing methodologies and tools. This paper proposes an approach to automatic multi-dimensional concern mining for Web Applications, based on concepts analysis, impact analysis, and token-based concern identification. This approach lets the user to analyse and traverse Web software relevant to a particular concern (concept, goal, purpose, etc.) via multi-dimensional separation of concerns, to document, understand and test Web applications. This technique was developed in the context of WAAT (Web Applications Analysis and Testing) project. A semi-automatic tool to support this technique is currently under development.

Keywords: Aspect Mining, Concepts Analysis, Concerns Mining, Multi-Dimensional Separation of Concerns, Impact Analysis.

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Authors: Carlo Bellettini, Alessandro Marchetto, Andrea Trentini

Abstract:

Web applications have become very complex and crucial, especially when combined with areas such as CRM (Customer Relationship Management) and BPR (Business Process Reengineering), the scientific community has focused attention to Web applications design, development, analysis, and testing, by studying and proposing methodologies and tools. This paper proposes an approach to automatic multi-dimensional concern mining for Web Applications, based on concepts analysis, impact analysis, and token-based concern identification. This approach lets the user to analyse and traverse Web software relevant to a particular concern (concept, goal, purpose, etc.) via multi-dimensional separation of concerns, to document, understand and test Web applications. This technique was developed in the context of WAAT (Web Applications Analysis and Testing) project. A semi-automatic tool to support this technique is currently under development.

Keywords: Concepts Analysis, Concerns Mining, Multi-Dimensional Separation of Concerns, Impact Analysis.

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Authors: Mohamed Ali KAMMOUN, Ahmed Ben HAMIDA

Abstract:

In this paper, we present a novel statistical approach to corpus-based speech synthesis. Classically, phonetic information is defined and considered as acoustic reference to be respected. In this way, many studies were elaborated for acoustical unit classification. This type of classification allows separating units according to their symbolic characteristics. Indeed, target cost and concatenation cost were classically defined for unit selection. In Corpus-Based Speech Synthesis System, when using large text corpora, cost functions were limited to a juxtaposition of symbolic criteria and the acoustic information of units is not exploited in the definition of the target cost. In this manuscript, we token in our consideration the unit phonetic information corresponding to acoustic information. This would be realized by defining a probabilistic linguistic Bi-grams model basically used for unit selection. The selected units would be extracted from the English TIMIT corpora.

Keywords: Unit selection, Corpus-based Speech Synthesis, Bigram model

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Authors: Surender Singh Jadav, Venkatesan Jayaprakash, Arijit Basu, Barij Nayan Sinha

Abstract:

Chikungunya virus (CHICKV) is an arboviruses belonging to family Tagoviridae and is transmitted to human through by mosquito (Aedes aegypti and Aedes albopictus) bite. A large outbreak of chikungunya has been reported in India between 2006 and 2007, along with several other countries from South-East Asia and for the first time in Europe. It was for the first time that the CHICKV outbreak has been reported with mortality from Reunion Island and increased mortality from Asian countries. CHICKV affects all age groups, and currently there are no specific drugs or vaccine to cure the disease. The need of antiviral agents for the treatment of CHICKV infection and the success of virtual screening against many therapeutically valuable targets led us to carry out the structure based drug design against Chikungunya nSP2 protease (PDB: 3TRK). Highthroughput virtual screening of publicly available databases, ZINC12 and BindingDB, has been carried out using the Openeye tools and Schrodinger LLC software packages. Openeye Filter program has been used to filter the database and the filtered outputs were docked using HTVS protocol implemented in GLIDE package of Schrodinger LLC. The top HITS were further used for enriching the similar molecules from the database through vROCS; a shape based screening protocol implemented in Openeye. The approach adopted has provided different scaffolds as HITS against CHICKV protease. Three scaffolds: Indole, Pyrazole and Sulphone derivatives were selected based on the docking score and synthetic feasibility. Derivatives of Pyrazole were synthesized and submitted for antiviral screening against CHICKV.

Keywords: Chikungunya, nsP2 protease, ADME filter, HTVS, Docking, Active site.

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Authors: Maslina Darus, Khalifa Al-Shaqsi

Abstract:

In this paper, a generalized derivatives operator n λ,βf introduced by the authors will be discussed. Some subordination and superordination results involving this operator for certain normalized analytic functions in the open unit disk will be investigated. Our results extend corresponding previously known results.

Keywords: Analytic functions, Univalent functions, Derivative operator, Differential subordination, Differential superordination.

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Authors: Yu. Menshikov

Abstract:

In this paper the influence of errors of function derivatives in initial time which have been obtained by experiment (uncontrollable inaccuracy) to the results of inverse problem solution was investigated. It was shown that these errors distort the inverse problem solution as a rule near the beginning of interval where the solutions are analyzed. Several methods for removing the influence of uncontrollable inaccuracy have been suggested. 

Keywords: Inverse problems, uncontrollable inaccuracy, filtration.

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