Search results for: nonlinear fitness functions

Authors: Zhiyong Li, Zhigang Chen, Chao Fu, Shipeng Zhang

Abstract:

Load forecasting has always been the essential part of an efficient power system operation and planning. A novel approach based on support vector machines is proposed in this paper for annual power load forecasting. Different kernel functions are selected to construct a combinatorial algorithm. The performance of the new model is evaluated with a real-world dataset, and compared with two neural networks and some traditional forecasting techniques. The results show that the proposed method exhibits superior performance.

Keywords: combinatorial algorithm, data mining, load forecasting, support vector machines

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Authors: Yul Y. Nazaruddin, Anas Y. Widiaribowo, Satriyo Nugroho

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Boiler is one of the critical unit in a petrochemical plant. Steam produced by the boiler is used for various processes in the plant such as urea and ammonia plant. An alternative method to optimize the boiler combustion system is presented in this paper. Adaptive Neuro-Fuzzy Inference System (ANFIS) approach is applied to model the boiler using real-time operational data collected from a boiler unit of the petrochemical plant. Nonlinear equation obtained is then used to optimize the air to fuel ratio using Genetic Algorithm, resulting an optimal ratio of 15.85. This optimal ratio is then maintained constant by ratio controller designed using inverse dynamics based on ANFIS. As a result, constant value of oxygen content in the flue gas is obtained which indicates more efficient combustion process.

Keywords: ANFIS, boiler, combustion process, genetic algorithm, optimization.

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Authors: A.Memari

Abstract:

In this article, a simulation method called the Homotopy Perturbation Method (HPM) is employed in the steady flow of a Walter's B' fluid in a vertical channel with porous wall. We employed Homotopy Perturbation Method to derive solution of a nonlinear form of equation obtained from exerting similarity transforming to the ordinary differential equation gained from continuity and momentum equations of this kind of flow. The results obtained from the Homotopy Perturbation Method are then compared with those from the Runge–Kutta method in order to verify the accuracy of the proposed method. The results show that the Homotopy Perturbation Method can achieve good results in predicting the solution of such problems. Ultimately we use this solution to obtain the other terms of velocities and physical discussion about it.

Keywords: Steady flow; Walter's B' Fluid;, vertical channel;porous media, Homotopy Perturbation Method (HPM), Numerical Solution (NS).

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Authors: Li Jie, Zhang Wei

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In this paper, the problem of posture stabilization for a kinematic model of differential drive robots is studied. A more complex model of the kinematics of differential drive robots is used for the design of stabilizing control. This model is formulated in terms of the physical parameters of the system such as the radius of the wheels, and velocity of the wheels are the control inputs of it. In this paper, the framework of Lyapunov-based control design has been used to solve posture stabilization problem for the comprehensive model of differential drive robots. The results of the simulations show that the devised controller successfully solves the posture regulation problem. Finally, robustness and performance of the controller have been studied under system parameter uncertainty.

Keywords: Differential drive robots, nonlinear control, Lyapunov-based control design, posture regulation.

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Authors: Jin-Wei Liang, Hung-Yi Chen, Lung Lin

Abstract:

In this paper feedforward controller is designed to eliminate nonlinear hysteresis behaviors of a piezoelectric stack actuator (PSA) driven system. The control design is based on inverse Prandtl-Ishlinskii (P-I) hysteresis model identified using particle swarm optimization (PSO) technique. Based on the identified P-I model, both the inverse P-I hysteresis model and feedforward controller can be determined. Experimental results obtained using the inverse P-I feedforward control are compared with their counterparts using hysteresis estimates obtained from the identified Bouc-Wen model. Effectiveness of the proposed feedforward control scheme is demonstrated. To improve control performance feedback compensation using traditional PID scheme is adopted to integrate with the feedforward controller. 

Keywords: The Bouc-Wen hysteresis model, Particle swarm optimization, Prandtl-Ishlinskii model.

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Authors: Siliang Wang, Minghui Wang

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This work proposes a novel market-based air traffic flow control model considering competitive airlines in air traffic network. In the flow model, an agent based framework for resources (link/time pair) pricing is described. Resource agent and auctioneer for groups of resources are also introduced to simulate the flow management in Air Traffic Control (ATC). Secondly, the distributed group pricing algorithm is introduced, which efficiently reflect the competitive nature of the airline industry. Resources in the system are grouped according to the degree of interaction, and each auctioneer adjust s the price of one group of resources respectively until the excess demand of resources becomes zero when the demand and supply of resources of the system changes. Numerical simulation results show the feasibility of solving the air traffic flow control problem using market mechanism and pricing algorithms on the air traffic network.

Keywords: Air traffic control, Nonlinear programming, Marketmechanism, Route policy.

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Authors: C. C. D. Kulathilake, M. Jayatilake, T. Takahashi

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The myocardium is composed of specialized muscle which relies mainly on fatty acid and sugar metabolism and it is widely contribute to the heart functioning. The changes of the cardiac energy-producing system during heart failure have been proved using autoradiography techniques. This study focused on evaluating sugar and fatty acid metabolism in myocardium as cardiac energy getting system using heart-accumulated radiopharmaceuticals. Two sets of autoradiographs of heart cross sections of Lewis male rats were analyzed and the time- accumulation curve obtained with use of the MATLAB image processing software to evaluate fatty acid and sugar metabolic functions.

Keywords: Autoradiographs, fatty acid, radiopharmaceuticals and sugar.

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Authors: Ian Heazlewood, Joe Walsh, Mike Climstein, Stephen Burke, Kent Adams, Mark DeBeliso

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Whilst there is growing evidence that activity across the lifespan is beneficial for improved health, there are also many changes involved with the aging process and subsequently the potential for reduced indices of health. The nexus between all forms of health, physical activity and aging is complex and has raised much interest in recent times due to the realization that a multifaceted approached is necessary in order to counteract a growing obesity epidemic. By investigating age based trends within a population adherring to competitive sport at older ages, further insight might be gleaned to assist in understanding one of many factors influencing this relationship. This study evaluated those sport psychological constructs of health, physical fitness, mental health states, and social dimension factors in sport that were associated with factors to participate in sport and physical activity based on responses from the 2009 World Masters Games in Sydney. The sample consisted of 7846 athletes who competed at the games and who completed a 56 item sports participation survey using a 7-point Likert response (1 - not important to 7 - very important). Questions focuses on factors thought to promote participation, such as weight control, living longer, improving mental health (self-esteem, mood states), improving physical health and factors related to the athlete-s competitive perspective. The most significant factors related to participation with this cohort of masters athletes were the socializing environment of sport, getting physically fit and improving competitive personal best performances. Strategies to increase participation in masters sport should focus on these factors as other factors such as weight loss, improving mental health and living longer were not identified as important determinates of sports participation at the World Masters level.

Keywords: masters sport, promoting participation, sport psychology.

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Authors: Agata M. Kołodziejczyk, Mateusz Harasymczuk, Pierre-Yves Girardin, Lucie Davidová

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Subjective time perception implies connection to cognitive functions, attention, memory and awareness, but a little is known about connections with homeostatic states of the body coordinated by circadian clock. In this paper, we present results from experimental study of subjective time perception in volunteers performing physical activity on treadmill in various phases of their circadian rhythms. Subjects were exposed to several time illusions simulated by programmed timing systems. This study brings better understanding for further improvement of of work quality in isolated areas. 

Keywords: Biological clock, light, time illusions, treadmill.

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Authors: Omid A. Zargar

Abstract:

Material damages dynamic analysis is difficult to deal with different material geometry and mechanism. In addition, it is difficult to measure the dynamic behavior of cracks, debond and delamination inside the material. Different simulation methods are developed in recent years for different physical features of mechanical systems like vibration and acoustic. Nonlinear fractures are analyzed and identified for different locations in this paper. The main idea of this work is to perform dynamic analysis on different types of materials (from normal homogeneous material to complex composite laminates). Technical factors like cracks, voids, interfaces and the damages’ locations are evaluated. In this project the modal analysis is performed on different types of materials. The results could be helpful in finding modal frequencies, natural frequencies, Time domain and fast Fourier transform (FFT) in industrial applications.

Keywords: Finite element method, dynamic analysis, vibration and acoustic, composite, crack, delamination.

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Authors: Shuenn-Yih Chang, Chiu-Li Huang

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Three structure-dependent integration methods have been developed for solving equations of motion, which are second-order ordinary differential equations, for structural dynamics and earthquake engineering applications. Although they generally have the same numerical properties, such as explicit formulation, unconditional stability and second-order accuracy, a different performance is found in solving the free vibration response to either linear elastic or nonlinear systems with high frequency modes. The root cause of this different performance in the free vibration responses is analytically explored herein. As a result, it is verified that a weak instability is responsible for the different performance of the integration methods. In general, a weak instability will result in an inaccurate solution or even numerical instability in the free vibration responses of high frequency modes. As a result, a weak instability must be prohibited for time integration methods.

Keywords: Dynamic analysis, high frequency, integration method, overshoot, weak instability.

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Authors: Fatima Zohra Mahi, Luca Varani

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We present an analytical model for the calculation of the sensitivity, the spectral current noise and the detective parameter for an optically illuminated In0.53Ga0.47As n+nn+ diode. The photocurrent due to the excess carrier is obtained by solving the continuity equation. Moreover, the current noise level is evaluated at room temperature and under a constant voltage applied between the diode terminals. The analytical calculation of the current noise in the n+nn+ structure is developed by considering the free carries fluctuations. The responsivity and the detection parameter are discussed as functions of the doping concentrations and the emitter layer thickness in one-dimensional homogeneous n+nn+ structure.

Keywords: Responsivity, detection parameter, photo-detectors, continuity equation, current noise.

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Authors: K. M. Doraiswamy, Lakshminarayana Merugu, B. C. Jinaga

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This paper explains the cause of nonlinearity in floor attenuation hither to left unexplained. The performance degradation occurring in air interface for GSM signals is quantitatively analysed using the concept of Radiating Columns of buildings. The signal levels were measured using Wireless Network Optimising Drive Test Tool (E6474A of Agilent Technologies). The measurements were taken in reflected signal environment under usual fading conditions on actual GSM signals radiated from base stations. A mathematical model is derived from the measurements to predict the GSM signal levels in different floors. It was applied on three buildings and found that the predicted signal levels deviated from the measured levels with in +/- 2 dB for all floors. It is more accurate than the prediction models based on Floor Attenuation Factor. It can be used for planning proper indoor coverage in multi storey buildings.

Keywords: GSM air interface, nonlinear attenuation, multistory building, radiating columns, ground conduction and floor attenuation factor.

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Authors: Gholamhosein Khosravi, Mohammad Azadi, Hamidreza Ghezavati

Abstract:

In this paper, vibration of a nonlinear composite beam is analyzed and then an active controller is used to control the vibrations of the system. The beam is resting on a Winkler-Pasternak elastic foundation. The composite beam is reinforced by single walled carbon nanotubes. Using the rule of mixture, the material properties of functionally graded carbon nanotube-reinforced composites (FG-CNTRCs) are determined. The beam is cantilever and the free end of the beam is under follower force. Piezoelectric layers are attached to the both sides of the beam to control vibrations as sensors and actuators. The governing equations of the FG-CNTRC beam are derived based on Euler-Bernoulli beam theory Lagrange- Rayleigh-Ritz method. The simulation results are presented and the effects of some parameters on stability of the beam are analyzed.

Keywords: Carbon nanotubes, vibration control, piezoelectric layers, elastic foundation.

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Authors: Mojtaba Mahdavi, Mohamad Mahdavi, Maryam Yazdani

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A heuristic conceptual model for to develop the Reliability Centered Maintenance (RCM), especially in preventive strategy, has been explored during this paper. In most real cases which complicity of system obligates high degree of reliability, this model proposes a more appropriate reliability function between life time distribution based and another which is based on relevant Extreme Value (EV) distribution. A statistical and mathematical approach is used to estimate and verify these two distribution functions. Then best one is chosen just among them, whichever is more reliable. A numeric Industrial case study will be reviewed to represent the concepts of this paper, more clearly.

Keywords: Lifetime distribution, Reliability, Estimation, Extreme value, Improving model, Series, Parallel.

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Authors: Prodromos E. Atlamazoglou

Abstract:

The method of moments combined with the method of symmetrical components is used for the analysis of interstitial hyperthermia applicators. The basis and testing functions are both piecewise sinusoids, qualifying our technique as a Galerkin one. The dielectric coatings are modeled by equivalent volume polarization currents, which are simply related to the conduction current distribution, avoiding in that way the introduction of additional unknowns or numerical integrations. The results of our method for a four dipole circular array, are in agreement with those already published in literature for a same hyperthermia configuration. Apart from being accurate, our approach is more general, more computationally efficient and takes into account the coupling between the antennas.

Keywords: Hyperthermia, integral equations, insulated antennas, method of symmetrical components.

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Authors: Modreck Gomo

Abstract:

The evolution of groundwater chemistry and its quality is largely controlled by hydrogeochemical processes and their understanding is therefore important for groundwater quality assessments and protection of the water resources. A study was conducted in Bloemfontein town of South Africa to assess and compare the groundwater chemistry and quality characteristics in an alluvial aquifer and single-plane fractured-rock aquifers. 9 groundwater samples were collected from monitoring boreholes drilled into the two aquifer systems during a once-off sampling exercise. Samples were collected through low-flow purging technique and analysed for major ions and trace elements. In order to describe the hydrochemical facies and identify dominant hydrogeochemical processes, the groundwater chemistry data are interpreted using stiff diagrams and principal component analysis (PCA), as complimentary tools. The fitness of the groundwater quality for domestic and irrigation uses is also assessed. Results show that the alluvial aquifer is characterised by a Na-HCO₃ hydrochemical facie while fractured-rock aquifer has a Ca-HCO₃ facie. The groundwater in both aquifers originally evolved from the dissolution of calcite rocks that are common on land surface environments. However the groundwater in the alluvial aquifer further goes through another evolution as driven by cation exchange process in which Na in the sediments exchanges with Ca²⁺ in the Ca-HCO₃ hydrochemical type to result in the Na-HCO₃ hydrochemical type. Despite the difference in the hydrogeochemical processes between the alluvial aquifer and single-plane fractured-rock aquifer, this did not influence the groundwater quality. The groundwater in the two aquifers is very hard as influenced by the elevated magnesium and calcium ions that evolve from dissolution of carbonate minerals which typically occurs in surface environments. Based on total dissolved levels (600-900 mg/L), groundwater quality of the two aquifer systems is classified to be of fair quality. The negative potential impacts of the groundwater quality for domestic uses are highlighted.

Keywords: Alluvial aquifer, fractured-rock aquifer, groundwater quality, hydrogeochemical processes.

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Authors: Guray Arslan, Riza S. O. Keskin

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Numerical investigations were conducted to study the influence of flexural reinforcement ratio on the diagonal cracking strength and ultimate shear strength of reinforced concrete (RC) beams without stirrups. Three-dimensional nonlinear finite element analyses (FEAs) of the beams with flexural reinforcement ratios ranging from 0.58% to 2.20% subjected to a mid-span concentrated load were carried out. It is observed that the load-deflection and loadstrain curves obtained from the numerical analyses agree with those obtained from the experiments. It is concluded that flexural reinforcement ratio has a significant effect on the shear strength and deflection capacity of RC beams without stirrups. The predictions of diagonal cracking strength and ultimate shear strength of beams obtained by using the equations defined by a number of codes and researchers are compared with each other and with the experimental values.

Keywords: Finite element, flexural reinforcement, reinforced concrete beam, shear strength.

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Authors: Kaige Shi, Chao Jiang, Xin Li

Abstract:

The swirl gripper is an electrically activated noncontact handling device that uses swirling airflow to generate a lifting force. This force can be used to pick up a workpiece placed underneath the swirl gripper without any contact. It is applicable, for example, in the semiconductor wafer production line, where contact must be avoided during the handling and moving of a workpiece to minimize damage. When a workpiece levitates underneath a swirl gripper, the gap height between them is crucial for safe handling. Therefore, in this paper, we propose a method to estimate the levitation gap height by detecting pressure at two points. The method is based on theoretical model of the swirl gripper, and has been experimentally verified. Furthermore, the force between the gripper and the workpiece can also be estimated using the detected pressure. As a result, the nonlinear relationship between the force and gap height can be linearized by adjusting the rotating speed of the fan in the swirl gripper according to the estimated force and gap height. The linearized relationship is expected to enhance handling stability of the workpiece.

Keywords: Swirl gripper, noncontact handling, levitation, gap height estimation.

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Authors: Rouzbeh Ramezani, Renzo Di Felice

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Nowadays, removal of CO₂ as one of the major contributors to global warming using alternative solvents with high CO₂ absorption efficiency, is an important industrial operation. In this study, three amines, including 2-methylpiperazine, potassium sarcosinate and potassium lysinate as potential additives, were added to the potassium carbonate solution as a base solvent for CO₂ capture. In order to study the absorption performance of CO₂ in terms of loading capacity of CO₂ and absorption rate, the absorption experiments in a blend of additives with potassium carbonate were carried out using the vapor-liquid equilibrium apparatus at a temperature of 313.15 K, CO₂ partial pressures ranging from 0 to 50 kPa and at mole fractions 0.2, 0.3, and 0.4. Furthermore, the performance of CO₂ absorption in these blend solutions was compared with pure monoethanolamine and with pure potassium carbonate. Finally, a correlation with good accuracy was developed using the nonlinear regression analysis in order to predict CO₂ loading capacity.

Keywords: Absorption rate, carbon dioxide, CO2 capture, global warming, loading capacity.

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Authors: Jalal Karam, Raed Saad

Abstract:

This paper studies the effect of different compression constraints and schemes presented in a new and flexible paradigm to achieve high compression ratios and acceptable signal to noise ratios of Arabic speech signals. Compression parameters are computed for variable frame sizes of a level 5 to 7 Discrete Wavelet Transform (DWT) representation of the signals for different analyzing mother wavelet functions. Results are obtained and compared for Global threshold and level dependent threshold techniques. The results obtained also include comparisons with Signal to Noise Ratios, Peak Signal to Noise Ratios and Normalized Root Mean Square Error.

Keywords: Speech Compression, Wavelets.

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Authors: Fengxia Zheng, Shouming Zhong

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ANNARIMA that combines both autoregressive integrated moving average (ARIMA) model and artificial neural network (ANN) model is a valuable tool for modeling and forecasting nonlinear time series, yet the over-fitting problem is more likely to occur in neural network models. This paper provides a hybrid methodology that combines both radial basis function (RBF) neural network and auto regression (AR) model based on binomial smoothing (BS) technique which is efficient in data processing, which is called BSRBFAR. This method is examined by using the data of Canadian Lynx data. Empirical results indicate that the over-fitting problem can be eased using RBF neural network based on binomial smoothing which is called BS-RBF, and the hybrid model–BS-RBFAR can be an effective way to improve forecasting accuracy achieved by BSRBF used separately.

Keywords: Binomial smoothing (BS), hybrid, Canadian Lynx data, forecasting accuracy.

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Authors: T. Mahalakshmi, Aswathi B. L., Achuthsankar S. Nair

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Transcription factors are a group of proteins that helps for interpreting the genetic information in DNA. Protein-protein interactions play a major role in the execution of key biological functions of a cell. These interactions are represented in the form of a graph with nodes and edges. Studies have showed that some nodes have high degree of connectivity and such nodes, known as hub nodes, are the inevitable parts of the network. In the present paper a method is proposed to identify hub transcription factor proteins using sequence information. On a complete data set of transcription factor proteins available from the APID database, the proposed method showed an accuracy of 77%, sensitivity of 79% and specificity of 76%.

Keywords: Transcription Factor Proteins, Hub Proteins, Shannon Index, Transfer Free Energy to Surface (TFES).

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Authors: A. Alirezaei, S. Vahdani

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This study estimates the seismic demands of tall buildings with central symmetric setbacks by using nonlinear time history analysis. Three setback structures, all 60-story high with setback in three levels, are used for evaluation. The effects of irregularities occurred by setback are evaluated by determination of global-drift, story-displacement and story drift. Story-displacement is modified by roof displacement and first story displacement and story drift is modified by global drift. All results are calculated at the center of mass and in x and y direction. Also the absolute values of these quantities are determined. The results show that increasing of vertical irregularities increases the global drift of the structure and enlarges the deformations in the height of the structure. It is also observed that the effects of geometry irregularity in the seismic deformations of setback structures are higher than those of mass irregularity.

Keywords: Deformation demand, drift, setback, tall building.

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Authors: Shujun Fu, Qiuqi Ruan, Wenqia Wang

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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: R.Mohamad Idris, A.Khairuddin, M.W.Mustafa

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In this paper, a novel method using Bees Algorithm is proposed to determine the optimal allocation of FACTS devices for maximizing the Available Transfer Capability (ATC) of power transactions between source and sink areas in the deregulated power system. The algorithm simultaneously searches the FACTS location, FACTS parameters and FACTS types. Two types of FACTS are simulated in this study namely Thyristor Controlled Series Compensator (TCSC) and Static Var Compensator (SVC). A Repeated Power Flow with FACTS devices including ATC is used to evaluate the feasible ATC value within real and reactive power generation limits, line thermal limits, voltage limits and FACTS operation limits. An IEEE30 bus system is used to demonstrate the effectiveness of the algorithm as an optimization tool to enhance ATC. A Genetic Algorithm technique is used for validation purposes. The results clearly indicate that the introduction of FACTS devices in a right combination of location and parameters could enhance ATC and Bees Algorithm can be efficiently used for this kind of nonlinear integer optimization.

Keywords: ATC, Bees Algorithm, TCSC, SVC

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Authors: Young-Lim Choi, Nak-Yun Choi, Jae-Yong Seo, Sang-Il Park, Jong-Wook Kim

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This paper proposes a prototype of a lower-limb rehabilitation system for recovering and strengthening patients- injured lower limbs. The system is composed of traction motors for each leg position, a treadmill as a walking base, tension sensors, microcontrollers controlling motor functions and a main system with graphic user interface. For derivation of reference or normal velocity profiles of the body segment point, kinematic method is applied based on the humanoid robot model using the reference joint angle data of normal walking.

Keywords: Rehabilitation, lower limb, treadmill, humanoid robot.

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Authors: Keivan Abdollahi, Alireza Mortezaei

Abstract:

The main objective of seismic rehabilitation in the foundations is decreasing the range of horizontal and vertical vibrations and omitting high frequencies contents under the seismic loading. In this regard, the advantages of micropiles network is utilized. Reduction in vibration range of foundation can be achieved by using high dynamic rigidness module such as deep foundations. In addition, natural frequency of pile and soil system increases in regard to rising of system rigidness. Accordingly, the main strategy is decreasing of horizontal and vertical seismic vibrations of the structure. In this case, considering the impact of foundation, pile and improved soil foundation is a primary concern. Therefore, in this paper, effective factors are studied on the seismic rehabilitation of foundations applying network micropiles in sandy soils with nonlinear reaction.

Keywords: Micropile network, rehabilitation, vibration, seismic load.

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Authors: Seong Woo Kwak, Jung-Min Yang

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A strategy of fault diagnosis and tolerance for asynchronous sequential machines is discussed in this paper. With no synchronizing clock, it is difficult to diagnose an occurrence of permanent or stuck-in faults in the operation of asynchronous machines. In this paper, we present a fault detector comprised of a timer and a set of static functions to determine the occurrence of faults. In order to realize immediate fault tolerance, corrective control theory is applied to designing a dynamic feedback controller. Existence conditions for an appropriate controller and its construction algorithm are presented in terms of reachability of the machine and the feature of fault occurrences.

Keywords: Asynchronous sequential machines, corrective control, fault diagnosis and tolerance, fault detector.

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Authors: Kozak K, M. Kozak, K. Stapor

Abstract:

The k-nearest neighbors (knn) is a simple but effective method of classification. In this paper we present an extended version of this technique for chemical compounds used in High Throughput Screening, where the distances of the nearest neighbors can be taken into account. Our algorithm uses kernel weight functions as guidance for the process of defining activity in screening data. Proposed kernel weight function aims to combine properties of graphical structure and molecule descriptors of screening compounds. We apply the modified knn method on several experimental data from biological screens. The experimental results confirm the effectiveness of the proposed method.

Keywords: biological screening, kernel methods, KNN, QSAR

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