Search results for: Bayesian approach
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 5110

Search results for: Bayesian approach

4900 New Approach for Manipulation of Stratified Programs

Authors: Amel Grissa-Touzi, Chadlia Jerad, Habib Ounelli

Abstract:

Negation is useful in the majority of the real world applications. However, its introduction leads to semantic and canonical problems. We propose in this paper an approach based on stratification to deal with negation problems. This approach is based on an extension of predicates nets. It is characterized with two main contributions. The first concerns the management of the whole class of stratified programs. The second contribution is related to usual operations optimizations on stratified programs (maximal stratification, incremental updates ...).

Keywords: stratified programs, stratification, standard model, update operations, SEPN formalism.

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4899 A Calibration Approach towards Reducing ASM2d Parameter Subsets in Phosphorus Removal Processes

Authors: N.Boontian

Abstract:

A novel calibration approach that aims to reduce ASM2d parameter subsets and decrease the model complexity is presented. This approach does not require high computational demand and reduces the number of modeling parameters required to achieve the ASMs calibration by employing a sensitivity and iteration methodology. Parameter sensitivity is a crucial factor and the iteration methodology enables refinement of the simulation parameter values. When completing the iteration process, parameters values are determined in descending order of their sensitivities. The number of iterations required is equal to the number of model parameters of the parameter significance ranking. This approach was used for the ASM2d model to the evaluated EBPR phosphorus removal and it was successful. Results of the simulation provide calibration parameters. These included YPAO, YPO4, YPHA, qPHA, qPP, μPAO, bPAO, bPP, bPHA, KPS, YA, μAUT, bAUT, KO2 AUT, and KNH4 AUT. Those parameters were corresponding to the experimental data available.

Keywords: ASM2d, calibration approach, iteration methodology, sensitivity, phosphorus removal

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4898 An Integrated Natural Language Processing Approach for Conversation System

Authors: Zhi Teng, Ye Liu, Fuji Ren

Abstract:

The main aim of this research is to investigate a novel technique for implementing a more natural and intelligent conversation system. Conversation systems are designed to converse like a human as much as their intelligent allows. Sometimes, we can think that they are the embodiment of Turing-s vision. It usually to return a predetermined answer in a predetermined order, but conversations abound with uncertainties of various kinds. This research will focus on an integrated natural language processing approach. This approach includes an integrated knowledge-base construction module, a conversation understanding and generator module, and a state manager module. We discuss effectiveness of this approach based on an experiment.

Keywords: Conversation System, integrated knowledge-base construction, conversation understanding and generator, state manager

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4897 Performance Management Guide for Research and Development Process

Authors: Heejung Lee

Abstract:

Performance management seems to be essential in business area and is also an exciting topic. Despite significant and myriads of research efforts, performance management guide today as a rigorous approach is still in an immature state and metrics are often selected based on intuitive and heuristic approach. In R&D side, the difficulty to guide the proper performance management is even more increasing due to the natural characteristics of R&D such as unique or domain-specific problems. In our approach, we present R&D performance management guide considering various characteristics of R&D side: performance evaluation objectives, dimensions, metrics, and uncertainties of R&D sector.

Keywords: Performance management, R&D, metrics.

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4896 Toward an Open Network Business Approach

Authors: Valentina Ndou, Laura Schina, Giuseppina Passiante, Pasquale Del Vecchio, Marco De Maggio

Abstract:

The aim of this paper is to propose a dynamic integrated approach, based on modularity concept and on the business ecosystem approach, that exploit different eBusiness services for SMEs under an open business network platform. The adoption of this approach enables firms to collaborate locally for delivering the best product/service to the customers as well as globally by accessing international markets, interrelate directly with the customers, create relationships and collaborate with worldwide actors. The paper will be structured as following: We will start by offering an overview of the state of the art of eBusiness platforms among SME of food and tourism firms and then we discuss the main drawbacks that characterize them. The digital business ecosystem approach and the modularity concept will be described as the theoretical ground in which our proposed integrated model is rooted. Finally, the proposed model along with a discussion of the main value creation potentialities it might create for SMEs will be presented.

Keywords: component, Complexity; Digital Business Ecosystem, e Business Platforms, Modularity, Networks.

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4895 Computational Intelligence Hybrid Learning Approach to Time Series Forecasting

Authors: Chunshien Li, Jhao-Wun Hu, Tai-Wei Chiang, Tsunghan Wu

Abstract:

Time series forecasting is an important and widely popular topic in the research of system modeling. This paper describes how to use the hybrid PSO-RLSE neuro-fuzzy learning approach to the problem of time series forecasting. The PSO algorithm is used to update the premise parameters of the proposed prediction system, and the RLSE is used to update the consequence parameters. Thanks to the hybrid learning (HL) approach for the neuro-fuzzy system, the prediction performance is excellent and the speed of learning convergence is much faster than other compared approaches. In the experiments, we use the well-known Mackey-Glass chaos time series. According to the experimental results, the prediction performance and accuracy in time series forecasting by the proposed approach is much better than other compared approaches, as shown in Table IV. Excellent prediction performance by the proposed approach has been observed.

Keywords: forecasting, hybrid learning (HL), Neuro-FuzzySystem (NFS), particle swarm optimization (PSO), recursiveleast-squares estimator (RLSE), time series

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4894 Self-Organization-Based Approach for Embedded Real-Time System Design

Authors: S. S. Bendib, L. W. Mouss, S. Kalla

Abstract:

This paper proposes a self-organization-based approach for real-time systems design. The addressed issue is the mapping of an application onto an architecture of heterogeneous processors while optimizing both makespan and reliability. Since this problem is NP-hard, a heuristic algorithm is used to obtain efficiently approximate solutions. The proposed approach takes into consideration the quality as well as the diversity of solutions. Indeed, an alternate treatment of the two objectives allows to produce solutions of good quality while a self-organization approach based on the neighborhood structure is used to reorganize solutions and consequently to enhance their diversity. Produced solutions make different compromises between the makespan and the reliability giving the user the possibility to select the solution suited to his (her) needs.

Keywords: Embedded real-time systems design, makespan, reliability, self-organization, compromises.

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4893 A Graph-Based Approach for Placement of No-Replicated Databases in Grid

Authors: Cherif Haddad, Faouzi Ben Charrada

Abstract:

On a such wide-area environment as a Grid, data placement is an important aspect of distributed database systems. In this paper, we address the problem of initial placement of database no-replicated fragments in Grid architecture. We propose a graph based approach that considers resource restrictions. The goal is to optimize the use of computing, storage and communication resources. The proposed approach is developed in two phases: in the first phase, we perform fragment grouping using knowledge about fragments dependency and, in the second phase, we determine an efficient placement of the fragment groups on the Grid. We also show, via experimental analysis that our approach gives solutions that are close to being optimal for different databases and Grid configurations.

Keywords: Grid computing, Distributed systems, Data resourcesmanagement, Database systems, Database placement.

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4892 Evaluation of Leagile Criteria Using DEMATEL Approach

Authors: Naveen Virmani, Rajeev Saha, Rajeshwar Sahai

Abstract:

There is drastic change in manufacturing era in last two decades. It has become mandatory for the industries to become aware of latest and advanced manufacturing technologies and strategies. Leagile manufacturing focuses on minimizing the wastes and meeting customers’ requirements in minimum time possible. However, it becomes difficult to implement all leagile tools simultaneously in industry. In this paper, 17 main criteria of leagile manufacturing have been found and DEMATEL (Decision Making Trial and Evaluation Laboratory) approach has been applied to analyze importance of criteria and casual relations among these criteria.

Keywords: Agile, DEMATEL approach, lean, leagile manufacturing.

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4891 First Studies of the Influence of Single Gene Perturbations on the Inference of Genetic Networks

Authors: Frank Emmert-Streib, Matthias Dehmer

Abstract:

Inferring the network structure from time series data is a hard problem, especially if the time series is short and noisy. DNA microarray is a technology allowing to monitor the mRNA concentration of thousands of genes simultaneously that produces data of these characteristics. In this study we try to investigate the influence of the experimental design on the quality of the result. More precisely, we investigate the influence of two different types of random single gene perturbations on the inference of genetic networks from time series data. To obtain an objective quality measure for this influence we simulate gene expression values with a biologically plausible model of a known network structure. Within this framework we study the influence of single gene knock-outs in opposite to linearly controlled expression for single genes on the quality of the infered network structure.

Keywords: Dynamic Bayesian networks, microarray data, structure learning, Markov chain Monte Carlo.

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4890 Image Retrieval Based on Multi-Feature Fusion for Heterogeneous Image Databases

Authors: N. W. U. D. Chathurani, Shlomo Geva, Vinod Chandran, Proboda Rajapaksha

Abstract:

Selecting an appropriate image representation is the most important factor in implementing an effective Content-Based Image Retrieval (CBIR) system. This paper presents a multi-feature fusion approach for efficient CBIR, based on the distance distribution of features and relative feature weights at the time of query processing. It is a simple yet effective approach, which is free from the effect of features' dimensions, ranges, internal feature normalization and the distance measure. This approach can easily be adopted in any feature combination to improve retrieval quality. The proposed approach is empirically evaluated using two benchmark datasets for image classification (a subset of the Corel dataset and Oliva and Torralba) and compared with existing approaches. The performance of the proposed approach is confirmed with the significantly improved performance in comparison with the independently evaluated baseline of the previously proposed feature fusion approaches.

Keywords: Feature fusion, image retrieval, membership function, normalization.

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4889 Use of Semantic Networks as Learning Material and Evaluation of the Approach by Students

Authors: Philippe A. Martin

Abstract:

This article first summarizes reasons why current approaches supporting Open Learning and Distance Education need to be complemented by tools permitting lecturers, researchers and students to cooperatively organize the semantic content of Learning related materials (courses, discussions, etc.) into a fine-grained shared semantic network. This first part of the article also quickly describes the approach adopted to permit such a collaborative work. Then, examples of such semantic networks are presented. Finally, an evaluation of the approach by students is provided and analyzed.

Keywords: knowledge sharing, knowledge evaluation, e-learning

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4888 Tuning of PV Array Layout Configurations for Maximum Power Delivery

Authors: Hadj Bourdoucen, Adel Gastli

Abstract:

In this paper, an approach for finding optimized layouts for connecting PV units delivering maximum array output power is suggested. The approach is based on considering the different varying parameters of PV units that might be extracted from a general two-diode model. These are mainly, solar irradiation, reverse saturation currents, ideality factors, series and shunt resistances in addition to operating temperature. The approach has been tested on 19 possible 2×3 configurations and allowed to determine the optimized configurations as well as examine the effects of the different units- parameters on the maximum output power. Thus, using this approach, standard arrays with n×m units can be configured for maximum generated power and allows designing PV based systems having reduced surfaces to fit specific required power, as it is the case for solar cars and other mobile systems.

Keywords: Photovoltaic, PV unit, optimum configuration, maximum power, Orcad.

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4887 Reliability-Based Topology Optimization Based on Evolutionary Structural Optimization

Authors: Sang-Rak Kim, Jea-Yong Park, Won-Goo Lee, Jin-Shik Yu, Seog-Young Han

Abstract:

This paper presents a Reliability-Based Topology Optimization (RBTO) based on Evolutionary Structural Optimization (ESO). An actual design involves uncertain conditions such as material property, operational load and dimensional variation. Deterministic Topology Optimization (DTO) is obtained without considering of the uncertainties related to the uncertainty parameters. However, RBTO involves evaluation of probabilistic constraints, which can be done in two different ways, the reliability index approach (RIA) and the performance measure approach (PMA). Limit state function is approximated using Monte Carlo Simulation and Central Composite Design for reliability analysis. ESO, one of the topology optimization techniques, is adopted for topology optimization. Numerical examples are presented to compare the DTO with RBTO.

Keywords: Evolutionary Structural Optimization, PerformanceMeasure Approach, Reliability-Based Topology Optimization, Reliability Index Approach.

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4886 Intelligent Multi-Agent Middleware for Ubiquitous Home Networking Environments

Authors: Minwoo Son, Seung-Hun Lee, Dongkyoo Shin, Dongil Shin

Abstract:

The next stage of the home networking environment is supposed to be ubiquitous, where each piece of material is equipped with an RFID (Radio Frequency Identification) tag. To fully support the ubiquitous environment, home networking middleware should be able to recommend home services based on a user-s interests and efficiently manage information on service usage profiles for the users. Therefore, USN (Ubiquitous Sensor Network) technology, which recognizes and manages a appliance-s state-information (location, capabilities, and so on) by connecting RFID tags is considered. The Intelligent Multi-Agent Middleware (IMAM) architecture was proposed to intelligently manage the mobile RFID-based home networking and to automatically supply information about home services that match a user-s interests. Evaluation results for personalization services for IMAM using Bayesian-Net and Decision Trees are presented.

Keywords: Intelligent Agents, Home Network, Mobile RFID, Intelligent Middleware.

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4885 A Subtractive Clustering Based Approach for Early Prediction of Fault Proneness in Software Modules

Authors: Ramandeep S. Sidhu, Sunil Khullar, Parvinder S. Sandhu, R. P. S. Bedi, Kiranbir Kaur

Abstract:

In this paper, subtractive clustering based fuzzy inference system approach is used for early detection of faults in the function oriented software systems. This approach has been tested with real time defect datasets of NASA software projects named as PC1 and CM1. Both the code based model and joined model (combination of the requirement and code based metrics) of the datasets are used for training and testing of the proposed approach. The performance of the models is recorded in terms of Accuracy, MAE and RMSE values. The performance of the proposed approach is better in case of Joined Model. As evidenced from the results obtained it can be concluded that Clustering and fuzzy logic together provide a simple yet powerful means to model the earlier detection of faults in the function oriented software systems.

Keywords: Subtractive clustering, fuzzy inference system, fault proneness.

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4884 Techno-Economic Analysis Framework for Wave Energy Conversion Schemes under South African Conditions: Modeling and Simulations

Authors: Siyanda S. Biyela, Willie A. Cronje

Abstract:

This paper presents a desktop study of comparing two different wave energy to electricity technologies (WECs) using a techno-economic approach. This techno-economic approach forms basis of a framework for rapid comparison of current and future technologies. The approach also seeks to assist in investment and strategic decision making expediting future deployment of wave energy harvesting in South Africa.

Keywords: Cost of energy, tool, wave energy converter, WEC-Sim.

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4883 Multiple Mental Thought Parametric Classification: A New Approach for Individual Identification

Authors: Ramaswamy Palaniappan

Abstract:

This paper reports a new approach on identifying the individuality of persons by using parametric classification of multiple mental thoughts. In the approach, electroencephalogram (EEG) signals were recorded when the subjects were thinking of one or more (up to five) mental thoughts. Autoregressive features were computed from these EEG signals and classified by Linear Discriminant classifier. The results here indicate that near perfect identification of 400 test EEG patterns from four subjects was possible, thereby opening up a new avenue in biometrics.

Keywords: Autoregressive, Biometrics, Electroencephalogram, Linear discrimination, Mental thoughts.

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4882 A New Spectral-based Approach to Query-by-Humming for MP3 Songs Database

Authors: Leon Fu, Xiangyang Xue

Abstract:

In this paper, we propose a new approach to query-by-humming, focusing on MP3 songs database. Since MP3 songs are much more difficult in melody representation than symbolic performance data, we adopt to extract feature descriptors from the vocal sounds part of the songs. Our approach is based on signal filtering, sub-band spectral processing, MDCT coefficients analysis and peak energy detection by ignorance of the background music as much as possible. Finally, we apply dual dynamic programming algorithm for feature similarity matching. Experiments will show us its online performance in precision and efficiency.

Keywords: DP, MDCT, MP3, QBH.

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4881 An Efficient Approach to Mining Frequent Itemsets on Data Streams

Authors: Sara Ansari, Mohammad Hadi Sadreddini

Abstract:

The increasing importance of data stream arising in a wide range of advanced applications has led to the extensive study of mining frequent patterns. Mining data streams poses many new challenges amongst which are the one-scan nature, the unbounded memory requirement and the high arrival rate of data streams. In this paper, we propose a new approach for mining itemsets on data stream. Our approach SFIDS has been developed based on FIDS algorithm. The main attempts were to keep some advantages of the previous approach and resolve some of its drawbacks, and consequently to improve run time and memory consumption. Our approach has the following advantages: using a data structure similar to lattice for keeping frequent itemsets, separating regions from each other with deleting common nodes that results in a decrease in search space, memory consumption and run time; and Finally, considering CPU constraint, with increasing arrival rate of data that result in overloading system, SFIDS automatically detect this situation and discard some of unprocessing data. We guarantee that error of results is bounded to user pre-specified threshold, based on a probability technique. Final results show that SFIDS algorithm could attain about 50% run time improvement than FIDS approach.

Keywords: Data stream, frequent itemset, stream mining.

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4880 A Matching Algorithm of Minutiae for Real Time Fingerprint Identification System

Authors: Shahram Mohammadi, Ali Frajzadeh

Abstract:

A lot of matching algorithms with different characteristics have been introduced in recent years. For real time systems these algorithms are usually based on minutiae features. In this paper we introduce a novel approach for feature extraction in which the extracted features are independent of shift and rotation of the fingerprint and at the meantime the matching operation is performed much more easily and with higher speed and accuracy. In this new approach first for any fingerprint a reference point and a reference orientation is determined and then based on this information features are converted into polar coordinates. Due to high speed and accuracy of this approach and small volume of extracted features and easily execution of matching operation this approach is the most appropriate for real time applications.

Keywords: Matching, Minutiae, Reference point, Reference orientation

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4879 A New Heuristic Approach for the Large-Scale Generalized Assignment Problem

Authors: S. Raja Balachandar, K.Kannan

Abstract:

This paper presents a heuristic approach to solve the Generalized Assignment Problem (GAP) which is NP-hard. It is worth mentioning that many researches used to develop algorithms for identifying the redundant constraints and variables in linear programming model. Some of the algorithms are presented using intercept matrix of the constraints to identify redundant constraints and variables prior to the start of the solution process. Here a new heuristic approach based on the dominance property of the intercept matrix to find optimal or near optimal solution of the GAP is proposed. In this heuristic, redundant variables of the GAP are identified by applying the dominance property of the intercept matrix repeatedly. This heuristic approach is tested for 90 benchmark problems of sizes upto 4000, taken from OR-library and the results are compared with optimum solutions. Computational complexity is proved to be O(mn2) of solving GAP using this approach. The performance of our heuristic is compared with the best state-ofthe- art heuristic algorithms with respect to both the quality of the solutions. The encouraging results especially for relatively large size test problems indicate that this heuristic approach can successfully be used for finding good solutions for highly constrained NP-hard problems.

Keywords: Combinatorial Optimization Problem, Generalized Assignment Problem, Intercept Matrix, Heuristic, Computational Complexity, NP-Hard Problems.

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4878 Optimizing the Capacity of a Convolutional Neural Network for Image Segmentation and Pattern Recognition

Authors: Yalong Jiang, Zheru Chi

Abstract:

In this paper, we study the factors which determine the capacity of a Convolutional Neural Network (CNN) model and propose the ways to evaluate and adjust the capacity of a CNN model for best matching to a specific pattern recognition task. Firstly, a scheme is proposed to adjust the number of independent functional units within a CNN model to make it be better fitted to a task. Secondly, the number of independent functional units in the capsule network is adjusted to fit it to the training dataset. Thirdly, a method based on Bayesian GAN is proposed to enrich the variances in the current dataset to increase its complexity. Experimental results on the PASCAL VOC 2010 Person Part dataset and the MNIST dataset show that, in both conventional CNN models and capsule networks, the number of independent functional units is an important factor that determines the capacity of a network model. By adjusting the number of functional units, the capacity of a model can better match the complexity of a dataset.

Keywords: CNN, capsule network, capacity optimization, character recognition, data augmentation; semantic segmentation.

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4877 Selection of Material for Gear Used in Fuel Pump Using Graph Theory and Matrix Approach

Authors: Sahil, Rajeev Saha, Sanjeev Kumar

Abstract:

Material selection is one of the key issues for the production of reliable and quality products in industries. A number of materials are available for a single product due to which material selection become a difficult task. The aim of this paper is to select appropriate material for gear used in fuel pump by using Graph Theory and Matrix Approach (GTMA). GTMA is a logical and systematic approach that can be used to model and analyze various engineering systems. In present work, four alternative material and their seven attributes are used to identify the best material for given product.

Keywords: Material, GTMA, MADM, digraph, decision making.

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4876 Environmental Competency Framework: Development of a Modified 2-Tuple Delphi Approach

Authors: M. Bouri, L. Chraïbi, N. Sefiani

Abstract:

Currently, industries endeavor to align their environmental management system with the ISO 14001:2015 international standard, while preserving competitiveness and sustainability. Then, a key driver for these industries is to develop a skilled workforce that is able to implement, continuously improve and audit the environmental management system. The purpose of this paper is to provide an environmental competency framework that aims to identify, rank and categorize the competencies required by both the environmental managers and auditors. This competency framework is expected to be useful during competency assessment, recruitment, and training processes. To achieve this end, a modified 2-tuple Delphi approach is here proposed based on a combination of the modified Delphi approach and the 2-tuple linguistic representation model. The adopted approach is presented as numerous questionnaires that are spread over multiple rounds in order to obtain a consensus among the different Moroccan experts participating to this study.

Keywords: Competency framework, Delphi, environmental competency, 2-tuple.

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4875 A New Approach to Image Segmentation via Fuzzification of Rènyi Entropy of Generalized Distributions

Authors: Samy Sadek, Ayoub Al-Hamadi, Axel Panning, Bernd Michaelis, Usama Sayed

Abstract:

In this paper, we propose a novel approach for image segmentation via fuzzification of Rènyi Entropy of Generalized Distributions (REGD). The fuzzy REGD is used to precisely measure the structural information of image and to locate the optimal threshold desired by segmentation. The proposed approach draws upon the postulation that the optimal threshold concurs with maximum information content of the distribution. The contributions in the paper are as follow: Initially, the fuzzy REGD as a measure of the spatial structure of image is introduced. Then, we propose an efficient entropic segmentation approach using fuzzy REGD. However the proposed approach belongs to entropic segmentation approaches (i.e. these approaches are commonly applied to grayscale images), it is adapted to be viable for segmenting color images. Lastly, diverse experiments on real images that show the superior performance of the proposed method are carried out.

Keywords: Entropy of generalized distributions, entropy fuzzification, entropic image segmentation.

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4874 Quadrature Formula for Sampled Functions

Authors: Khalid Minaoui, Thierry Chonavel, Benayad Nsiri, Driss Aboutajdine

Abstract:

This paper deals with efficient quadrature formulas involving functions that are observed only at fixed sampling points. The approach that we develop is derived from efficient continuous quadrature formulas, such as Gauss-Legendre or Clenshaw-Curtis quadrature. We select nodes at sampling positions that are as close as possible to those of the associated classical quadrature and we update quadrature weights accordingly. We supply the theoretical quadrature error formula for this new approach. We show on examples the potential gain of this approach.

Keywords: Gauss-Legendre, Clenshaw-Curtis, quadrature, Peano kernel, irregular sampling.

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4873 Modeling the Symptom-Disease Relationship by Using Rough Set Theory and Formal Concept Analysis

Authors: Mert Bal, Hayri Sever, Oya Kalıpsız

Abstract:

Medical Decision Support Systems (MDSSs) are sophisticated, intelligent systems that can provide inference due to lack of information and uncertainty. In such systems, to model the uncertainty various soft computing methods such as Bayesian networks, rough sets, artificial neural networks, fuzzy logic, inductive logic programming and genetic algorithms and hybrid methods that formed from the combination of the few mentioned methods are used. In this study, symptom-disease relationships are presented by a framework which is modeled with a formal concept analysis and theory, as diseases, objects and attributes of symptoms. After a concept lattice is formed, Bayes theorem can be used to determine the relationships between attributes and objects. A discernibility relation that forms the base of the rough sets can be applied to attribute data sets in order to reduce attributes and decrease the complexity of computation.

Keywords: Formal Concept Analysis, Rough Set Theory, Granular Computing, Medical Decision Support System.

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4872 A Novel Approach to Persian Online Hand Writing Recognition

Authors: Ramin Halavati, Mansour Jamzad, Mahdieh Soleymani

Abstract:

Persian (Farsi) script is totally cursive and each character is written in several different forms depending on its former and later characters in the word. These complexities make automatic handwriting recognition of Persian a very hard problem and there are few contributions trying to work it out. This paper presents a novel practical approach to online recognition of Persian handwriting which is based on representation of inputs and patterns with very simple visual features and comparison of these simple terms. This recognition approach is tested over a set of Persian words and the results have been quite acceptable when the possible words where unknown and they were almost all correct in cases that the words where chosen from a prespecified list.

Keywords: Image Processing, Pattern Recognition.

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4871 Data Mining Classification Methods Applied in Drug Design

Authors: Mária Stachová, Lukáš Sobíšek

Abstract:

Data mining incorporates a group of statistical methods used to analyze a set of information, or a data set. It operates with models and algorithms, which are powerful tools with the great potential. They can help people to understand the patterns in certain chunk of information so it is obvious that the data mining tools have a wide area of applications. For example in the theoretical chemistry data mining tools can be used to predict moleculeproperties or improve computer-assisted drug design. Classification analysis is one of the major data mining methodologies. The aim of thecontribution is to create a classification model, which would be able to deal with a huge data set with high accuracy. For this purpose logistic regression, Bayesian logistic regression and random forest models were built using R software. TheBayesian logistic regression in Latent GOLD software was created as well. These classification methods belong to supervised learning methods. It was necessary to reduce data matrix dimension before construct models and thus the factor analysis (FA) was used. Those models were applied to predict the biological activity of molecules, potential new drug candidates.

Keywords: data mining, classification, drug design, QSAR

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