Search results for: Structural identification
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2139

Search results for: Structural identification

1239 Improving RBF Networks Classification Performance by using K-Harmonic Means

Authors: Z. Zainuddin, W. K. Lye

Abstract:

In this paper, a clustering algorithm named KHarmonic means (KHM) was employed in the training of Radial Basis Function Networks (RBFNs). KHM organized the data in clusters and determined the centres of the basis function. The popular clustering algorithms, namely K-means (KM) and Fuzzy c-means (FCM), are highly dependent on the initial identification of elements that represent the cluster well. In KHM, the problem can be avoided. This leads to improvement in the classification performance when compared to other clustering algorithms. A comparison of the classification accuracy was performed between KM, FCM and KHM. The classification performance is based on the benchmark data sets: Iris Plant, Diabetes and Breast Cancer. RBFN training with the KHM algorithm shows better accuracy in classification problem.

Keywords: Neural networks, Radial basis functions, Clusteringmethod, K-harmonic means.

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1238 A Primer to the Learning Readiness Assessment to Raise the Sharing of e-Health Knowledge amongst Libyan Nurses

Authors: Mohamed Elhadi M. Sharif, Mona Masood

Abstract:

The usage of e-health facilities is seen to be the first priority by the Libyan government. As such this paper focuses on how the key factors or elements of working size in terms of technological availability, structural environment, and other competence-related matters may affect nurses’ sharing of knowledge in e-health. Hence, this paper investigates learning readiness assessment to raise e-health for Libyan regional hospitals by using ehealth services in nursing education.

Keywords: Libyan nurses, e-Learning readiness, e-Health.

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1237 Robust Control of a Parallel 3-RRR Robotic Manipulator via μ-Synthesis Method

Authors: A. Abbasi Moshaii, M. Soltan Rezaee, M. Mohammadi Moghaddam

Abstract:

Control of some mechanisms is hard because of their complex dynamic equations. If part of the complexity is resulting from uncertainties, an efficient way for solving that is robust control. By this way, the control procedure could be simple and fast and finally, a simple controller can be designed. One kind of these mechanisms is 3-RRR which is a parallel mechanism and has three revolute joints. This paper aims to robust control a 3-RRR planner mechanism and it presents that this could be used for other mechanisms. So, a significant problem in mechanisms control could be solved. The relevant diagrams are drawn and they show the correctness of control process.

Keywords: 3-RRR, dynamic equations, mechanisms control, structural uncertainty.

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1236 Mega Projects and Governmentality

Authors: Sophie Sturup

Abstract:

Mega urban transport projects (MUTPs) are increasingly being used in urban environments to ameliorate the problem of congestion. However, a number of problems with regard to mega projects have been identified. In particular the seemingly institutionalised over estimation of economic benefits and persistent cost over runs, could mean that the wrong projects are selected, and that the projects that are selected cost more than they should. Studies to date have produced a number of solutions to these problems, perhaps most notably, the various methods for the inclusion of the private sector in project provision. However the problems have shown significant intractability in the face of these solutions. This paper provides a detailed examination of some of the problems facing mega projects and then examines Foucault-s theory of 'governmentality' as a possible frame of analysis which might shed light on the intractability of the problems that have been identified, through an identification of the art of government in which MUTPs occur.

Keywords: Michel Foucault, Governmentality, Mega projects, Transport.

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1235 Evaluation of Corrosion by Impedance Spectroscopy of Embedded Steel in an Alternative Concrete Exposed to the Chloride Ion

Authors: Erika J. Ruíz, Jairo R. Cortes, Willian A. Aperador

Abstract:

In this article was evaluated the protective effect of the alternative concrete obtained from the binary mixture of fly ash, and iron and steel slag. After mixing the cement with aggregates, structural steel was inserted in the matrix cementitious. The study was conducted comparatively with specimens exposed to natural conditions free of chloride ion. The chloride ion effect on the specimens accelerated under controlled conditions (3.5% NaCl and 25°C temperature). The impedance data were acquired in a range of 1 mHz to 100 kHz.

Keywords: Alternative concrete, corrosion, alkaline activation.

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1234 Inhibition on Conidial Germination of Colletotrichum gloeosporiodes and Pestalotiopsis eugeniae by Bacillus subtilis LB5

Authors: Onuma Ruangwong, Wen-Jinn Liang, S.Y. Zhang, Chi-I Chang

Abstract:

The effect of antifungal compound from Bacillus subtilis strain LB5 was tested against conidial germination of Colletotrichum gloeosporioides and Pestalotiopsis eugeniae, causal agent of anthracnose and fruit rot of wax apple, respectively. Observation under scanning electron microscope and light compound microscope revealed that conidial germination was completely inhibited when treated with culture broth, culture filtrate, or crude extract from strain LB5. Identification of purified antifungal compound produced by strain LB5 in cell-free supernatant by nuclear magnetic resonance and fast atom bombardment showed that the active compound was iturin A-2.

Keywords: Iturin A-2, Bacillus subtilis LB5, Colleteotrichum gloeospporioides, Pestalotiopsis eugeniae, wax apple

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1233 Identification of the Main Transition Velocities in a Bubble Column Based on a Modified Shannon Entropy

Authors: Stoyan Nedeltchev, Markus Schubert

Abstract:

The gas holdup fluctuations in a bubble column (0.15 m in ID) have been recorded by means of a conductivity wire-mesh sensor in order to extract information about the main transition velocities. These parameters are very important for bubble column design, operation and scale-up. For this purpose, the classical definition of the Shannon entropy was modified and used to identify both the onset (at UG=0.034 m/s) of the transition flow regime and the beginning (at UG=0.089 m/s) of the churn-turbulent flow regime. The results were compared with the Kolmogorov entropy (KE) results. A slight discrepancy was found, namely the transition velocities identified by means of the KE were shifted to somewhat higher (0.045 and 0.101 m/s) superficial gas velocities UG.

Keywords: Bubble column, gas holdup fluctuations, Modified Shannon entropy, Kolmogorov entropy.

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1232 Identification of Roadway Wavelengths Affecting the Dynamic Responses of Bridges due to Vehicular Loading

Authors: Ghada Karaki

Abstract:

The bridge vibration due to traffic loading has been a subject of extensive research during the last decades. A number of these studies are concerned with the effects of the unevenness of roadways on the dynamic responses of highway bridges. The road unevenness is often described as a random process that constitutes of different wavelengths. Thus, the study focuses on examining the effects of the random description of roadways on the dynamic response and its variance. A new setting of variance based sensitivity analysis is proposed and used to identify and quantify the contributions of the roadway-s wavelengths to the variance of the dynamic response. Furthermore, the effect of the vehicle-s speed on the dynamic response is studied.

Keywords: vehicle bridge interaction, sensitivity analysis, road unevenness, random processes, critical speeds

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1231 Fast Document Segmentation Using Contourand X-Y Cut Technique

Authors: Boontee Kruatrachue, Narongchai Moongfangklang, Kritawan Siriboon

Abstract:

This paper describes fast and efficient method for page segmentation of document containing nonrectangular block. The segmentation is based on edge following algorithm using small window of 16 by 32 pixels. This segmentation is very fast since only border pixels of paragraph are used without scanning the whole page. Still, the segmentation may contain error if the space between them is smaller than the window used in edge following. Consequently, this paper reduce this error by first identify the missed segmentation point using direction information in edge following then, using X-Y cut at the missed segmentation point to separate the connected columns. The advantage of the proposed method is the fast identification of missed segmentation point. This methodology is faster with fewer overheads than other algorithms that need to access much more pixel of a document.

Keywords: Contour Direction Technique, Missed SegmentationPoints, Page Segmentation, Recursive X-Y Cut Technique

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1230 Analytical Modeling of Globular Protein-Ferritin in α-Helical Conformation: A White Noise Functional Approach

Authors: Vernie C. Convicto, Henry P. Aringa, Wilson I. Barredo

Abstract:

This study presents a conformational model of the helical structures of globular protein particularly ferritin in the framework of white noise path integral formulation by using Associated Legendre functions, Bessel and convolution of Bessel and trigonometric functions as modulating functions. The model incorporates chirality features of proteins and their helix-turn-helix sequence structural motif.

Keywords: Globular protein, modulating function, white noise, winding probability.

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1229 Preliminary Evaluation of Passive UHF-Band RFID for Identifying Floating Objects on the Sea

Authors: Yasuhiro Sato, Kodai Noma, Kenta Sawada, Kazumasa Adachi, Yoshinori Matruura, Saori Iwanaga

Abstract:

RFID system is used to identify objects such as passenger identification in public transportation, instead of linear or 2-dimensional barcodes. Key advantages of RFID system are to identify objects without physical contact, and to write arbitrary information into RFID tag. These advantages may help to improve maritime safety and efficiency of activity on the sea. However, utilization of RFID system for maritime scenes has not been considered. In this paper, we evaluate the availability of a generic RFID system operating on the sea. We measure RSSI between RFID tag floating on the sea and RFID antenna, and check whether a RFID reader can access a tag or not, while the distance between a floating buoy and the ship, and the angle are changed. Finally, we discuss the feasibility and the applicability of RFID system on the sea through the results of our preliminary experiment.

Keywords: RFID, Experimental Evaluation, RSSI, Maritime use.

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1228 Comparative Forensic Analysis of Lipsticks Using Thin Layer Chromatography and Gas Chromatography

Authors: M. O. Ezegbogu, H. B. Osadolor

Abstract:

Lipsticks constitute a significant source of transfer evidence, and can, therefore, provide corroborative or inclusionary evidence in criminal investigation. This study aimed to determine the uniqueness and persistence of different lipstick smears using Thin Layer Chromatography (TLC), and Gas Chromatography with a Flame Ionisation Detector (GC-FID). In this study, we analysed lipstick smears retrieved from tea cups exposed to the environment for up to four weeks. The n-alkane content of each sample was determined using GC-FID, while TLC was used to determine the number of bands, and retention factor of each band per smear. This study shows that TLC gives more consistent results over a 4-week period than GC-FID. It also proposes a maximum exposure time of two weeks for the analysis of lipsticks left in the open using GC-FID. Finally, we conclude that neither TLC nor GC-FID can distinguish lipstick evidence recovered from hypothetical crime scenes.

Keywords: Forensic science, chromatography, identification, lipstick.

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1227 Information System for Data Selection and New Information Acquisition for Reconfigurable Multifunctional Machine Tools

Authors: Sasho Guergov

Abstract:

The purpose of the paper is to develop an informationcontrol environment for overall management and self-reconfiguration of the reconfigurable multifunctional machine tool for machining both rotation and prismatic parts and high concentration of different technological operations - turning, milling, drilling, grinding, etc. For the realization of this purpose on the basis of defined sub-processes for the implementation of the technological process, architecture of the information-search system for machine control is suggested. By using the object-oriented method, a structure and organization of the search system based on agents and manager with central control are developed. Thus conditions for identification of available information in DBs, self-reconfiguration of technological system and entire control of the reconfigurable multifunctional machine tool are created.

Keywords: Information system, multifunctional machine tool, reconfigurable machine tool, search system.

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1226 A Current Problem for Steel Bridges: Fatigue Assessment of Seams´ Repair

Authors: H. Pasternak, A. Chwastek

Abstract:

The paper describes the results from a research project about repair of welds. The repair was carried out by grinding the flawed seams and re-welding them. The main task was to determine the FAT classes of original state and after repair of seams according to the assessment procedures, such as nominal, structural and effective notch stress approach. The first part shows the results of the tests, the second part encloses numerical analysis and evaluation of results to determine the fatigue strength classes according to three assessment procedures.

Keywords: Cyclic loading, fatigue crack, post-weld treatment, seams’ repair.

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1225 TPM in Large Enterprises: Study Results

Authors: Katarzyna Antosz, DorotaStadnicka

Abstract:

Having regard to the necessity of maintaining the technical infrastructure in a proper condition that ensures production continuity, companies decide to implement modern methods of technological machines park management. These methods include TPM, RCM and outsourcing. Large companies, in particular, are ready to invest in the implementation of these methods because of a great number of machines and a wide range of tasks of their technical service. Methodology of implementing these methods is well known. The aim of the studies, of which the results are presented in this publication, was the identification of real actions that are conducted in enterprises within the application of the TPM method. The studies were carried out in large manufacturing companies of different industries located on a certain area. The study’s results point to the actions actually performed within TPM as well as to the effects of those actions achieved by the studied enterprises.

Keywords: Infrastructure management, modern methods, technical infrastructure, TPM.

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1224 Evaluation of the Magnesium Wastes with Boron Oxide in Magnesium Borate Synthesis

Authors: A. S. Kipcak, F. T. Senberber, E. Moroydor Derun, S. Piskin

Abstract:

Magnesium wastes and scraps, one of the metal wastes, are produced by many industrial activities, all over the world. Their growing size is becoming a future problem for the world. In this study, the use of magnesium wastes as a raw material in the production of the magnesium borate hydrates are aimed. The method used in the experiments is hydrothermal synthesis. The conditions are set to, waste magnesium to B2O3, 1:3 as a molar ratio. Four different reaction times are studied which are 30, 60, 120 and 240 minutes. For the identification analyses X-Ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FT-IR) and Raman spectroscopy techniques are used. As a result at all the reaction times magnesium borate hydrates are synthesized and the most crystalline forms are obtained at a reaction time of 120 minutes. The overall yields of the production are found between the values of 65-80 %.

Keywords: Hydrothermal synthesis, magnesium borates, magnesium wastes, boron oxide

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1223 Radio Technology Frequency Identification Applied in High-Voltage Power Transmission- Line for Sag Measurement

Authors: Tlotlollo Sidwell Hlalele, Shengzhi Du

Abstract:

High-voltage power transmission lines are the back bone of electrical power utilities. The stability and continuous monitoring of this critical infrastructure is pivotal. Nine-Sigma representing Eskom Holding SOC limited, South Africa has a major problem on proactive detection of fallen power lines and real time sagging measurement together with slipping of such conductors. The main objective of this research is to innovate RFID technology to solve this challenge. Various options and technologies such as GPS, PLC, image processing, MR sensors and etc., have been reviewed and draw backs were made. The potential of RFID to give precision measurement will be observed and presented. The future research will look at magnetic and electrical interference as well as corona effect on the technology.

Keywords: Precision Measurement, RFID and Sag.

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1222 Implementation of Meshless FEM for Engineering Applications

Authors: A. Seidl, Th. Schmidt

Abstract:

Meshless Finite Element Methods, namely element-free Galerkin and point-interpolation method were implemented and tested concerning their applicability to typical engineering problems like electrical fields and structural mechanics. A class-structure was developed which allows a consistent implementation of these methods together with classical FEM in a common framework. Strengths and weaknesses of the methods under investigation are discussed. As a result of this work joint usage of meshless methods together with classical Finite Elements are recommended.

Keywords: Finite Elements, meshless, element-free Galerkin, point-interpolation.

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1221 A Visual Cryptography and Statistics Based Method for Ownership Identification of Digital Images

Authors: Ching-Sheng Hsu, Young-Chang Hou

Abstract:

In this paper, a novel copyright protection scheme for digital images based on Visual Cryptography and Statistics is proposed. In our scheme, the theories and properties of sampling distribution of means and visual cryptography are employed to achieve the requirements of robustness and security. Our method does not need to alter the original image and can identify the ownership without resorting to the original image. Besides, our method allows multiple watermarks to be registered for a single host image without causing any damage to other hidden watermarks. Moreover, it is also possible for our scheme to cast a larger watermark into a smaller host image. Finally, experimental results will show the robustness of our scheme against several common attacks.

Keywords: Copyright protection, digital watermarking, samplingdistribution, visual cryptography.

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1220 Quantity and Quality Aware Artificial Bee Colony Algorithm for Clustering

Authors: U. Idachaba, F. Z. Wang, A. Qi, N. Helian

Abstract:

Artificial Bee Colony (ABC) algorithm is a relatively new swarm intelligence technique for clustering. It produces higher quality clusters compared to other population-based algorithms but with poor energy efficiency, cluster quality consistency and typically slower in convergence speed. Inspired by energy saving foraging behavior of natural honey bees this paper presents a Quality and Quantity Aware Artificial Bee Colony (Q2ABC) algorithm to improve quality of cluster identification, energy efficiency and convergence speed of the original ABC. To evaluate the performance of Q2ABC algorithm, experiments were conducted on a suite of ten benchmark UCI datasets. The results demonstrate Q2ABC outperformed ABC and K-means algorithm in the quality of clusters delivered.

Keywords: Artificial bee colony algorithm, clustering.

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1219 Prediction of MicroRNA-Target Gene by Machine Learning Algorithms in Lung Cancer Study

Authors: Nilubon Kurubanjerdjit, Nattakarn Iam-On, Ka-Lok Ng

Abstract:

MicroRNAs are small non-coding RNA found in many different species. They play crucial roles in cancer such as biological processes of apoptosis and proliferation. The identification of microRNA-target genes can be an essential first step towards to reveal the role of microRNA in various cancer types. In this paper, we predict miRNA-target genes for lung cancer by integrating prediction scores from miRanda and PITA algorithms used as a feature vector of miRNA-target interaction. Then, machine-learning algorithms were implemented for making a final prediction. The approach developed in this study should be of value for future studies into understanding the role of miRNAs in molecular mechanisms enabling lung cancer formation.

Keywords: MicroRNA, miRNAs, lung cancer, machine learning, Naïve Bayes, SVM.

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1218 New Wavelet-Based Superresolution Algorithm for Speckle Reduction in SAR Images

Authors: Mario Mastriani

Abstract:

This paper describes a novel projection algorithm, the Projection Onto Span Algorithm (POSA) for wavelet-based superresolution and removing speckle (in wavelet domain) of unknown variance from Synthetic Aperture Radar (SAR) images. Although the POSA is good as a new superresolution algorithm for image enhancement, image metrology and biometric identification, here one will use it like a tool of despeckling, being the first time that an algorithm of super-resolution is used for despeckling of SAR images. Specifically, the speckled SAR image is decomposed into wavelet subbands; POSA is applied to the high subbands, and reconstruct a SAR image from the modified detail coefficients. Experimental results demonstrate that the new method compares favorably to several other despeckling methods on test SAR images.

Keywords: Projection, speckle, superresolution, synthetic aperture radar, thresholding, wavelets.

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1217 Image Processing Using Color and Object Information for Wireless Capsule Endoscopy

Authors: Jin-Hee Park, Yong-Gyu Lee, Gilwon Yoon

Abstract:

Wireless capsule endoscopy provides real-time images in the digestive tract. Capsule images are usually low resolution and are diverse images due to travel through various regions of human body. Color information has been a primary reference in predicting abnormalities such as bleeding. Often color is not sufficient for this purpose. In this study, we took morphological shapes into account as additional, but important criterion. First, we processed gastric images in order to indentify various objects in the image. Then, we analyzed color information in the object. In this way, we could remove unnecessary information and increase the accuracy. Compared to our previous investigations, we could handle images of various degrees of brightness and improve our diagnostic algorithm.

Keywords: Capsule Endoscopy, HSV model, Image processing, Object Identification, Color Separation.

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1216 Customer Knowledge and Service Development, the Web 2.0 Role in Co-production

Authors: Roberto Boselli, Mirko Cesarini, Mario Mezzanzanica

Abstract:

The paper is concerned with relationships between SSME and ICTs and focuses on the role of Web 2.0 tools in the service development process. The research presented aims at exploring how collaborative technologies can support and improve service processes, highlighting customer centrality and value coproduction. The core idea of the paper is the centrality of user participation and the collaborative technologies as enabling factors; Wikipedia is analyzed as an example. The result of such analysis is the identification and description of a pattern characterising specific services in which users collaborate by means of web tools with value co-producers during the service process. The pattern of collaborative co-production concerning several categories of services including knowledge based services is then discussed.

Keywords: Service Interaction Patterns, Services Science, Web2.0 tools, Service Development Process.

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1215 Feature Subset Selection approach based on Maximizing Margin of Support Vector Classifier

Authors: Khin May Win, Nan Sai Moon Kham

Abstract:

Identification of cancer genes that might anticipate the clinical behaviors from different types of cancer disease is challenging due to the huge number of genes and small number of patients samples. The new method is being proposed based on supervised learning of classification like support vector machines (SVMs).A new solution is described by the introduction of the Maximized Margin (MM) in the subset criterion, which permits to get near the least generalization error rate. In class prediction problem, gene selection is essential to improve the accuracy and to identify genes for cancer disease. The performance of the new method was evaluated with real-world data experiment. It can give the better accuracy for classification.

Keywords: Microarray data, feature selection, recursive featureelimination, support vector machines.

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1214 Pose-Dependency of Machine Tool Structures: Appearance, Consequences, and Challenges for Lightweight Large-Scale Machines

Authors: S. Apprich, F. Wulle, A. Lechler, A. Pott, A. Verl

Abstract:

Large-scale machine tools for the manufacturing of large work pieces, e.g. blades, casings or gears for wind turbines, feature pose-dependent dynamic behavior. Small structural damping coefficients lead to long decay times for structural vibrations that have negative impacts on the production process. Typically, these vibrations are handled by increasing the stiffness of the structure by adding mass. This is counterproductive to the needs of sustainable manufacturing as it leads to higher resource consumption both in material and in energy. Recent research activities have led to higher resource efficiency by radical mass reduction that is based on controlintegrated active vibration avoidance and damping methods. These control methods depend on information describing the dynamic behavior of the controlled machine tools in order to tune the avoidance or reduction method parameters according to the current state of the machine. This paper presents the appearance, consequences and challenges of the pose-dependent dynamic behavior of lightweight large-scale machine tool structures in production. It starts with the theoretical introduction of the challenges of lightweight machine tool structures resulting from reduced stiffness. The statement of the pose-dependent dynamic behavior is corroborated by the results of the experimental modal analysis of a lightweight test structure. Afterwards, the consequences of the pose-dependent dynamic behavior of lightweight machine tool structures for the use of active control and vibration reduction methods are explained. Based on the state of the art of pose-dependent dynamic machine tool models and the modal investigation of an FE-model of the lightweight test structure, the criteria for a pose-dependent model for use in vibration reduction are derived. The description of the approach for a general posedependent model of the dynamic behavior of large lightweight machine tools that provides the necessary input to the aforementioned vibration avoidance and reduction methods to properly tackle machine vibrations is the outlook of the paper.

Keywords: Dynamic behavior, lightweight, machine tool, pose-dependency.

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1213 Stability Bound of Ruin Probability in a Reduced Two-Dimensional Risk Model

Authors: Zina Benouaret, Djamil Aissani

Abstract:

In this work, we introduce the qualitative and quantitative concept of the strong stability method in the risk process modeling two lines of business of the same insurance company or an insurance and re-insurance companies that divide between them both claims and premiums with a certain proportion. The approach proposed is based on the identification of the ruin probability associate to the model considered, with a stationary distribution of a Markov random process called a reversed process. Our objective, after clarifying the condition and the perturbation domain of parameters, is to obtain the stability inequality of the ruin probability which is applied to estimate the approximation error of a model with disturbance parameters by the considered model. In the stability bound obtained, all constants are explicitly written.

Keywords: Markov chain, risk models, ruin probabilities, strong stability analysis.

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1212 Visual Object Tracking and Interception in Industrial Settings

Authors: Ahmet Denker, Tuğrul Adıgüzel

Abstract:

This paper presents a solution for a robotic manipulation problem. We formulate the problem as combining target identification, tracking and interception. The task in our solution is sensing a target on a conveyor belt and then intercepting robot-s end-effector at a convenient rendezvous point. We used an object recognition method which identifies the target and finds its position from visualized scene picture, then the robot system generates a solution for rendezvous problem using the target-s initial position and belt velocity . The interception of the target and the end-effector is executed at a convenient rendezvous point along the target-s calculated trajectory. Experimental results are obtained using a real platform with an industrial robot and a vision system over it.

Keywords: Object recognition, rendezvous planning, robotics.

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1211 High Impedance Faults Detection Technique Based on Wavelet Transform

Authors: Ming-Ta Yang, Jin-Lung Guan, Jhy-Cherng Gu

Abstract:

The purpose of this paper is to solve the problem of protecting aerial lines from high impedance faults (HIFs) in distribution systems. This investigation successfully applies 3I0 zero sequence current to solve HIF problems. The feature extraction system based on discrete wavelet transform (DWT) and the feature identification technique found on statistical confidence are then applied to discriminate effectively between the HIFs and the switch operations. Based on continuous wavelet transform (CWT) pattern recognition of HIFs is proposed, also. Staged fault testing results demonstrate that the proposed wavelet based algorithm is feasible performance well.

Keywords: Continuous wavelet transform, discrete wavelet transform, high impedance faults, statistical confidence.

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1210 Recent Advances on Computational Proteomics

Authors: Sérgio F. Sousa, Nuno M. F. S. A. Cerqueira, Marta A. S. Perez, Irina S. Moreira, António J. M.Ribeiro, Ana R. A. P. Neves, Maria J. Ramos, Pedro A. Fernandes

Abstract:

In this work we report the recent progresses that have been achieved by our group in the last half decade on the field of computational proteomics. Specifically, we discuss the application of Molecular Dynamics Simulations and Electronic Structure Calculations in drug design, in the clarification of the structural and dynamic properties of proteins and enzymes and in the understanding of the catalytic and inhibition mechanism of cancer-related enzymes. A set of examples illustrate the concepts and help to introduce the reader into this important and fast moving field.

Keywords: Enzyme, Molecular Dynamics, Protein, Quantum Mechanics.

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