Search results for: ontology V-alignment pair homomorphism

Authors: M. Habchi, S.M. Mesli, M. Kotbi

Abstract:

The Reverse Monte Carlo (RMC) simulation is applied in the study of an aqueous electrolyte LiCl6H2O. On the basis of the available experimental neutron scattering data, RMC computes pair radial distribution functions in order to explore the structural features of the system. The obtained results include some unrealistic features. To overcome this problem, we use the Hybrid Reverse Monte Carlo (HRMC), incorporating an energy constraint in addition to the commonly used constraints derived from experimental data. Our results show a good agreement between experimental and computed partial distribution functions (PDFs) as well as a significant improvement in pair partial distribution curves. This kind of study can be considered as a useful test for a defined interaction model for conventional simulation techniques.

Keywords: RMC simulation, HRMC simulation, energy constraint, screened potential, glassy state, liquid state, partial distribution function, pair partial distribution function.

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Authors: Hikmat A. M. Abd-El-Jaber, Tengku M. T. Sembok

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The information on the Web increases tremendously. A number of search engines have been developed for searching Web information and retrieving relevant documents that satisfy the inquirers needs. Search engines provide inquirers irrelevant documents among search results, since the search is text-based rather than semantic-based. Information retrieval research area has presented a number of approaches and methodologies such as profiling, feedback, query modification, human-computer interaction, etc for improving search results. Moreover, information retrieval has employed artificial intelligence techniques and strategies such as machine learning heuristics, tuning mechanisms, user and system vocabularies, logical theory, etc for capturing user's preferences and using them for guiding the search based on the semantic analysis rather than syntactic analysis. Although a valuable improvement has been recorded on search results, the survey has shown that still search engines users are not really satisfied with their search results. Using ontologies for semantic-based searching is likely the key solution. Adopting profiling approach and using ontology base characteristics, this work proposes a strategy for finding the exact meaning of the query terms in order to retrieve relevant information according to user needs. The evaluation of conducted experiments has shown the effectiveness of the suggested methodology and conclusion is presented.

Keywords: information retrieval, user profiles, semantic Web, ontology, search engine.

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Authors: Fereshteh Mahdavi, Maizatul Akmar Ismail, Noorhidawati Abdullah

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Currently WWW is the first solution for scholars in finding information. But, analyzing and interpreting this volume of information will lead to researchers overload in pursuing their research. Trend detection in scientific publication retrieval systems helps scholars to find relevant, new and popular special areas by visualizing the trend of input topic. However, there are few researches on trend detection in scientific corpora while their proposed models do not appear to be suitable. Previous works lack of an appropriate representation scheme for research topics. This paper describes a method that combines Semantic Web and ontology to support advance search functions such as trend detection in the context of scholarly Semantic Web system (SSWeb).

Keywords: Trend, Semi-Automatic Trend Detection, Ontology, Semantic Trend Detection.

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Authors: A. R. Nezamabadi, M. Karami Khorramabadi

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This paper presents the elastic buckling of homogeneous beams with a pair of piezoelectric layers surface bonded on both sides of the beams. The displacement field of beam is assumed based on the Engesser-Timoshenko beam theory. Applying the Hamilton's principle, the equilibrium equation is established. The influences of applied voltage, dimensionless geometrical parameter and piezoelectric thickness on the critical buckling load of beam are presented. To investigate the accuracy of the present analysis, a compression study is carried out with a known data.

Keywords: Mechanical Buckling, Engesser-Timoshenko beam theory - Piezoelectric layer.

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Authors: Yingchun Jiang, Yan Tang

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In view of the good properties of nonstationary wavelet frames and the better flexibility of wavelets in Sobolev spaces, the nonstationary dual wavelet frames in a pair of dual Sobolev spaces are studied in this paper. We mainly give the oblique extension principle and the mixed extension principle for nonstationary dual wavelet frames in a pair of dual Sobolev spaces Hs(Rd) and H-s(Rd).

Keywords: Nonstationary, dual frames, dual Sobolev spaces, extension principle.

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Authors: Aissam Belghiat, Mustapha Bourahla

Abstract:

Models are placed by modeling paradigm at the center of development process. These models are represented by languages, like UML the language standardized by the OMG which became necessary for development. Moreover the ontology engineering paradigm places ontologies at the center of development process; in this paradigm we find OWL the principal language for knowledge representation. Building ontologies from scratch is generally a difficult task. The bridging between UML and OWL appeared on several regards such as the classes and associations. In this paper, we have to profit from convergence between UML and OWL to propose an approach based on Meta-Modelling and Graph Grammars and registered in the MDA architecture for the automatic generation of OWL ontologies from UML class diagrams. The transformation is based on transformation rules; the level of abstraction in these rules is close to the application in order to have usable ontologies. We illustrate this approach by an example.

Keywords: ATOM3, MDA, Ontology, OWL, UML

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Authors: Quratulain N. Rajput, Sajjad Haider, Nasir Touheed

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The internet has become an attractive avenue for global e-business, e-learning, knowledge sharing, etc. Due to continuous increase in the volume of web content, it is not practically possible for a user to extract information by browsing and integrating data from a huge amount of web sources retrieved by the existing search engines. The semantic web technology enables advancement in information extraction by providing a suite of tools to integrate data from different sources. To take full advantage of semantic web, it is necessary to annotate existing web pages into semantic web pages. This research develops a tool, named OWIE (Ontology-based Web Information Extraction), for semantic web annotation using domain specific ontologies. The tool automatically extracts information from html pages with the help of pre-defined ontologies and gives them semantic representation. Two case studies have been conducted to analyze the accuracy of OWIE.

Keywords: Ontology, Semantic Annotation, Wrapper, Information Extraction.

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Authors: Janis Buls

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This paper examines the concept of simulation from a modelling viewpoint. How can one Mealy machine simulate the other one? We create formalism for simulation of Mealy machines. The injective s–morphism of the machine semigroups induces the simulation of machines [1]. We present the example of s–morphism such that it is not a homomorphism of semigroups. The story for the surjective s–morphisms is quite different. These are homomorphisms of semigroups but there exists the surjective s–morphism such that it does not induce the simulation.

Keywords: Mealy machine, simulation, machine semigroup, injective s–morphism, surjective s–morphisms.

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Authors: Gung-Hun Jung, Jong-Hee Park

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In this paper, we develop a Spatio-Temporal graph as of a key component of our knowledge representation Scheme. We design an integrated representation Scheme to depict not only present and past but future in parallel with the spaces in an effective and intuitive manner. The resulting multi-dimensional comprehensive knowledge structure accommodates multi-layered virtual world developing in the time to maximize the diversity of situations in the historical context. This knowledge representation Scheme is to be used as the basis for simulation of situations composing the virtual world and for implementation of virtual agents' knowledge used to judge and evaluate the situations in the virtual world. To provide natural contexts for situated learning or simulation games, the virtual stage set by this Spatio-Temporal graph is to be populated by agents and other objects interrelated and changing which are abstracted in the ontology.

Keywords: Ontology, Virtual Reality, Spatio-Temporal graph.

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Authors: Huynh Quyet Thang, Le Hai Quan

Abstract:

Interaction Model plays an important role in Modelbased Intelligent Interface Agent Architecture for developing Intelligent User Interface. In this paper we are presenting some improvements in the algorithms for development interaction model of interface agent including: the action segmentation algorithm, the action pair selection algorithm, the final action pair selection algorithm, the interaction graph construction algorithm and the probability calculation algorithm. The analysis of the algorithms also presented. At the end of this paper, we introduce an experimental program called “Personal Transfer System".

Keywords: interface agent, interaction model, user model.

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Authors: Pei-Jeng Kuo, Terumasa Aoki, Hiroshi Yasuda

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PARIS (Personal Archiving and Retrieving Image System) is an experiment personal photograph library, which includes more than 80,000 of consumer photographs accumulated within a duration of approximately five years, metadata based on our proposed MPEG-7 annotation architecture, Dozen Dimensional Digital Content (DDDC), and a relational database structure. The DDDC architecture is specially designed for facilitating the managing, browsing and retrieving of personal digital photograph collections. In annotating process, we also utilize a proposed Spatial and Temporal Ontology (STO) designed based on the general characteristic of personal photograph collections. This paper explains PRAIS system.

Keywords: Ontology, Databases and Information Retrieval, MPEG-7, Spatial-Temporal, Digital Library Designs l, metadata, Semantic Web, semi-automatic annotation

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Authors: Louay M. Jeroudaih, Mohamed S. Hajji

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This paper looks into areas not covered by prominent Agent-Oriented Software Engineering (AOSE) methodologies. Extensive paper review led to the identification of two issues, first most of these methodologies almost neglect semantic web and ontology. Second, as expected, each one has its strength and weakness and may focus on some phases of the development lifecycle but not all of the phases. The work presented here builds extensions to a highly regarded AOSE methodology (MaSE) in order to cover the areas that this methodology does not concentrate on. The extensions include introducing an ontology stage for semantic representation and integrating early requirement specification from a methodology which mainly focuses on that. The integration involved developing transformation rules (with the necessary handling of nonmatching notions) between the two sets of representations and building the software which automates the transformation. The application of this integration on a case study is also presented in the paper. The main flow of MaSE stages was changed to smoothly accommodate the new additions.

Keywords: Agents, Intelligent Agents, Software Engineering(SE), UML, AUML, and Design Patterns.

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Authors: Raj Kumar Rajak, Bharat Mishra

Abstract:

Bio-batteries represent an entirely new long-term, reasonable, reachable and ecofriendly approach to produce sustainable energy. In the present experimental work, we have studied the effect of generation of power by bio-battery using different electrode pairs. The tests show that it is possible to generate electricity using cow dung as an electrolyte. C-Mg electrode pair shows maximum voltage and SCC (Short Circuit Current) while C-Zn electrode pair shows less OCV (Open Circuit Voltage) and SCC. We have chosen C-Zn electrodes because Mg electrodes are not economical. By the studies of different electrodes and cow dung, it is found that C-Zn electrode battery is more suitable. This result shows that the bio-batteries have the potency to full fill the need of electricity demand for lower energy equipment.

Keywords: Bio-batteries, electricity, cow dung, electrodes, non-conventional.

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Authors: Yanchao Wang, Rajshekhar Sunderraman

Abstract:

This paper presents an algebraic approach to optimize queries in domain-specific database management system for protein structure data. The approach involves the introduction of several protein structure specific algebraic operators to query the complex data stored in an object-oriented database system. The Protein Algebra provides an extensible set of high-level Genomic Data Types and Protein Data Types along with a comprehensive collection of appropriate genomic and protein functions. The paper also presents a query translator that converts high-level query specifications in algebra into low-level query specifications in Protein-QL, a query language designed to query protein structure data. The query transformation process uses a Protein Ontology that serves the purpose of a dictionary.

Keywords: Domain-Specific Data Management, Protein Algebra, Protein Ontology, Protein Structure Data.

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Authors: Alicia Y. C. Tang, Sharifuddin M. Zain, Noorsaadah A. Rahman, Rukaini Abdullah

Abstract:

This paper discusses a qualitative simulator QRiOM that uses Qualitative Reasoning (QR) technique, and a process-based ontology to model, simulate and explain the behaviour of selected organic reactions. Learning organic reactions requires the application of domain knowledge at intuitive level, which is difficult to be programmed using traditional approach. The main objective of QRiOM is to help learners gain a better understanding of the fundamental organic reaction concepts, and to improve their conceptual comprehension on the subject by analyzing the multiple forms of explanation generated by the software. This paper focuses on the generation of explanation based on causal theories to explicate various phenomena in the chemistry subject. QRiOM has been tested with three classes problems related to organic chemistry, with encouraging results. This paper also presents the results of preliminary evaluation of QRiOM that reveal its explanation capability and usefulness.

Keywords: Artificial intelligence, explanation, ontology, organicreactions, qualitative reasoning, QPT.

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Authors: Quratulain N. Rajput, Sajjad Haider

Abstract:

This paper applies Bayesian Networks to support information extraction from unstructured, ungrammatical, and incoherent data sources for semantic annotation. A tool has been developed that combines ontologies, machine learning, and information extraction and probabilistic reasoning techniques to support the extraction process. Data acquisition is performed with the aid of knowledge specified in the form of ontology. Due to the variable size of information available on different data sources, it is often the case that the extracted data contains missing values for certain variables of interest. It is desirable in such situations to predict the missing values. The methodology, presented in this paper, first learns a Bayesian network from the training data and then uses it to predict missing data and to resolve conflicts. Experiments have been conducted to analyze the performance of the presented methodology. The results look promising as the methodology achieves high degree of precision and recall for information extraction and reasonably good accuracy for predicting missing values.

Keywords: Information Extraction, Bayesian Network, ontology, Machine Learning

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Authors: Congmin Z. Xie, Terry Healy, Peter Robinson, Kevin Stewart

Abstract:

An HPLC-UV analytical method was developed to determine ethylenediaminetetraacetic acid (EDTA) in dairy wastewater and surface water. The optimizing separation was achieved by reversed–phase ion-pair liquid chromatography on a C18 column using methanol as mobile phase solvent, tetrabutylammonium bromide as the ion-pair reagent in pH 3.3 formate buffer solution at a flow rate of 0.9 mL min-1 with a UV detector at 265 nm. No interference of Ca, Mg or NO3 - was detected. Method performance was evaluated in terms of linearity, repeatability and reproducibility. The method detection limit was 5 μg L-1. The contents of EDTA in dairy effluents were 72 ~ 261 μg L-1 at a large dairy site. A change of EDTA concentration was observed downstream of the dairy effluent discharge, but this was well under the predicted no effect concentration for aquatic ecosystem.

Keywords: Dairy wastewater, EDTA, HPLC, surface water.

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Authors: Dawei Wang, Rujing Wang, Ying Li, Baozi Wei

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FAQ system can make user find answer to the problem that puzzles them. But now the research on Chinese FAQ system is still on the theoretical stage. This paper presents an approach to semantic inference for FAQ mining. To enhance the efficiency, a small pool of the candidate question-answering pairs retrieved from the system for the follow-up work according to the concept of the agriculture domain extracted from user input .Input queries or questions are converted into four parts, the question word segment (QWS), the verb segment (VS), the concept of agricultural areas segment (CS), the auxiliary segment (AS). A semantic matching method is presented to estimate the similarity between the semantic segments of the query and the questions in the pool of the candidate. A thesaurus constructed from the HowNet, a Chinese knowledge base, is adopted for word similarity measure in the matcher. The questions are classified into eleven intension categories using predefined question stemming keywords. For FAQ mining, given a query, the question part and answer part in an FAQ question-answer pair is matched with the input query, respectively. Finally, the probabilities estimated from these two parts are integrated and used to choose the most likely answer for the input query. These approaches are experimented on an agriculture FAQ system. Experimental results indicate that the proposed approach outperformed the FAQ-Finder system in agriculture FAQ retrieval.

Keywords: FAQ, Semantic Inference, Ontology.

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Authors: Raj Kumar Rajak, Bharat Mishra

Abstract:

Bio-batteries represent an entirely new long-term, reasonable, reachable, and eco-friendly approach to generation of sustainable energy. In the present experimental work, we have studied the effect of the generation of power by bio-battery using different electrode pairs. The tests show that it is possible to generate electricity using cow’s urine as an electrolyte. C-Mg electrode pair shows maximum Voltage and Short Circuit Current (SCC), while C-Zn electrode pair shows less Open Circuit Voltage (OCV) and SCC. By the studies of cow urine and different electrodes, it is found that C-Zn electrode battery is more economical. The cow urine battery with C-Zn electrode provides maximum power (707.4 mW) and durability (up to 145 h). This result shows that the bio-batteries have the potency to full fill the need of electricity demand for lower energy equipment.

Keywords: Bio-batteries, cow’s urine, electrodes, non-conventional.

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Authors: ByungHoon Kang, Jeawook Shin, Ju-man Song, Hyun-Taek Choi, PooGyeon Park

Abstract:

In this study, we consider a special situation that only a pair of hydrophone on a moving underwater vehicle is available to localize a fixed acoustic source of far distance. The trigonometry can be used in this situation by using two different DOA of different locations. Notice that the distance between the two locations should be measured. Therefore, we assume that the vehicle is sailing straightly and the moving distance for each unit time is measured continuously. However, the accuracy of the localization using the trigonometry is highly dependent to the accuracy of DOAs and measured moving distances. Therefore, we proposed another method based on the extended Kalman filter that gives more robust and accurate localization result.

Keywords: Localization, acoustic, underwater, extended Kalman filter.

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Authors: N. Tuncbag, T. Haliloglu, O. Keskin

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Understanding the cell's large-scale organization is an interesting task in computational biology. Thus, protein-protein interactions can reveal important organization and function of the cell. Here, we investigated the correspondence between protein interactions and function for the yeast. We obtained the correlations among the set of proteins. Then these correlations are clustered using both the hierarchical and biclustering methods. The detailed analyses of proteins in each cluster were carried out by making use of their functional annotations. As a result, we found that some functional classes appear together in almost all biclusters. On the other hand, in hierarchical clustering, the dominancy of one functional class is observed. In brief, from interaction data to function, some correlated results are noticed about the relationship between interaction and function which might give clues about the organization of the proteins.

Keywords: Pair-wise protein interactions, DIP database, functional correlations, biclustering.

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Authors: Esmaeil Hassannejad

Abstract:

Some of the students' problems in writing skill stem from inadequate preparation for the writing assignment. Students should be taught how to write well when they arrive in language classes. Having selected a topic, the students examine and explore the theme from as large a variety of viewpoints as their background and imagination make possible. Another strategy is that the students prepare an Outline before writing the paper. The comparison between the two mentioned thought provoking techniques was carried out between the two class groups –students of Islamic Azad University of Dezful who were studying “Writing 2" as their main course. Each class group was assigned to write five compositions separately in different periods of time. Then a t-test for each pair of exams between the two class groups showed that the t-observed in each pair was more than the t-critical. Consequently, the first hypothesis which states those who utilize Brainstorming as a thought provoking technique in prewriting phase are more successful than those who outline the papers before writing was verified.

Keywords: Brainstorming, Outlining, Prewriting, Thought provoking techniques

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Authors: Firas A. Al Laban, Mohamed Chabi, Sammani Danwawu Abdullahi

Abstract:

There are real needs to integrate types of Open Educational Resources (OER) with an intelligent system to extract information and knowledge in the semantic searching level. The needs came because most of current learning standard adopted web based learning and the e-learning systems do not always serve all educational goals. Semantic Web systems provide educators, students, and researchers with intelligent queries based on a semantic knowledge management learning system. An ontology-based learning system is an advanced system, where ontology plays the core of the semantic web in a smart learning environment. The objective of this paper is to discuss the potentials of ontologies and mapping different kinds of ontologies; heterogeneous or homogenous to manage and control different types of Open Educational Resources. The important contribution of this research is that it uses logical rules and conceptual relations to map between ontologies of different educational resources. We expect from this methodology to establish an intelligent educational system supporting student tutoring, self and lifelong learning system.

Keywords: Knowledge Management Systems, Ontologies, Semantic Web, Open Educational Resources.

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Authors: T. Kerdchuen

Abstract:

This paper proposes the stochastic tabu search (STS) for improving the measurement scheme for power system state estimation. If the original measured scheme is not observable, the additional measurements with minimum number of measurements are added into the system by STS so that there is no critical measurement pair. The random bit flipping and bit exchanging perturbations are used for generating the neighborhood solutions in STS. The Pδ observable concept is used to determine the network observability. Test results of 10 bus, IEEE 14 and 30 bus systems are shown that STS can improve the original measured scheme to be observable without critical measurement pair. Moreover, the results of STS are superior to deterministic tabu search (DTS) in terms of the best solution hit.

Keywords: Measurement Scheme, Power System StateEstimation, Network Observability, Stochastic Tabu Search (STS).

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Authors: R. Babisaraswathi, N. Shanthi, S. S. Kiruthika

Abstract:

Web search engines are designed to retrieve and extract the information in the web databases and to return dynamic web pages. The Semantic Web is an extension of the current web in which it includes semantic content in web pages. The main goal of semantic web is to promote the quality of the current web by changing its contents into machine understandable form. Therefore, the milestone of semantic web is to have semantic level information in the web. Nowadays, people use different keyword- based search engines to find the relevant information they need from the web. But many of the words are polysemous. When these words are used to query a search engine, it displays the Search Result Records (SRRs) with different meanings. The SRRs with similar meanings are grouped together based on Word Sense Disambiguation (WSD). In addition to that semantic annotation is also performed to improve the efficiency of search result records. Semantic Annotation is the process of adding the semantic metadata to web resources. Thus the grouped SRRs are annotated and generate a summary which describes the information in SRRs. But the automatic semantic annotation is a significant challenge in the semantic web. Here ontology and knowledge based representation are used to annotate the web pages.

Keywords: Ontology, Semantic Web, WordNet, Word Sense Disambiguation.

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Authors: Liping Jing, Michael K. Ng, Xinhua Yang, Joshua Zhexue Huang

Abstract:

This paper presents a text clustering system developed based on a k-means type subspace clustering algorithm to cluster large, high dimensional and sparse text data. In this algorithm, a new step is added in the k-means clustering process to automatically calculate the weights of keywords in each cluster so that the important words of a cluster can be identified by the weight values. For understanding and interpretation of clustering results, a few keywords that can best represent the semantic topic are extracted from each cluster. Two methods are used to extract the representative words. The candidate words are first selected according to their weights calculated by our new algorithm. Then, the candidates are fed to the WordNet to identify the set of noun words and consolidate the synonymy and hyponymy words. Experimental results have shown that the clustering algorithm is superior to the other subspace clustering algorithms, such as PROCLUS and HARP and kmeans type algorithm, e.g., Bisecting-KMeans. Furthermore, the word extraction method is effective in selection of the words to represent the topics of the clusters.

Keywords: Subspace Clustering, Text Mining, Feature Weighting, Cluster Interpretation, Ontology

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Authors: S.Touati, A.H. Meniai

Abstract:

The present work presents the extraction of copper(II) from sulphuric acid solutions with Sodium diethyldithiocarbamate (SDDT), and six different organic diluents: Dichloromethane, Chloroform, Carbon tetrachloride, Toluene, xylene and Cyclohexane, were tested. The pair SDDT/Chloroform showed to be the most selective in removing the copper cations, and hence was considered throughout the experimental study. The effects of operating parameters such as the initial concentration of the extracting agent, the agitation time, the agitation speed and the acid concentration were considered. For an initial concentration of Cu (II) of 63 ppm in a 0.5 M sulphuric acid solution, both with a mass of the extracting agent of 20 mg, an extraction percentage of about 97.8 % and a distribution coefficient of 44.42 were obtained, respectively, confirming the performance of the SDDT-Chloroform pair.

Keywords: Copper (II), Distribution coefficient, Extraction, SDDT, Sulphuric acid.

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Authors: Linghui Zhu, Junjie Gu

Abstract:

Thermal-driven refrigeration systems have attracted increasing research and development interest in recent years. These systems do not cause ozone depletion and can reduce demand on electricity. The main objective of this work is to perform theoretical analyses of a thermal-driven refrigeration system using a new sorbent-sorptive pair as the working pair. The active component of sorbent is sodium thiocyanate (NaSCN). Ammonia (NH3) is chosen as sorptive. Based on the thermodynamic properties of the working solution, a mathematical model is introduced to analyze the system characteristics and performance. The results are used to compare with other thermal-driven refrigeration systems. It is shown that the advantages provided by this system over other absorption units include lower generator and evaporator temperatures, a higher coefficient of performance (COP). The COP is about 10 percent higher than the ones for the NH3-H2O system working at the same conditions.

Keywords: Absorption; Ammonia-Sodium thiocyanate, Exergy, coefficient of performance (COP)

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Authors: Azleena Mohd Kassim, Muhamad Rashidi A. Rahman, Yu-N. Cheah

Abstract:

Knowledge-based e-mail systems focus on incorporating knowledge management approach in order to enhance the traditional e-mail systems. In this paper, we present a knowledgebased e-mail system called KS-Mail where people do not only send and receive e-mail conventionally but are also able to create a sense of knowledge flow. We introduce semantic processing on the e-mail contents by automatically assigning categories and providing links to semantically related e-mails. This is done to enrich the knowledge value of each e-mail as well as to ease the organization of the e-mails and their contents. At the application level, we have also built components like the service manager, evaluation engine and search engine to handle the e-mail processes efficiently by providing the means to share and reuse knowledge. For this purpose, we present the KS-Mail architecture, and elaborate on the details of the e-mail server and the application server. We present the ontology mapping technique used to achieve the e-mail content-s categorization as well as the protocols that we have developed to handle the transactions in the e-mail system. Finally, we discuss further on the implementation of the modules presented in the KS-Mail architecture.

Keywords: E-mail rating, knowledge-based system, ontology mapping, text categorization.

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Authors: M. Habchi, S. M. Mesli, M. Kotbi

Abstract:

A structural study of an aqueous electrolyte whose experimental results are available. It is a solution of LiCl-6H2O type at glassy state (120K) contrasted with pure water at room temperature by means of Partial Distribution Functions (PDF) issue from neutron scattering technique. Based on these partial functions, the Reverse Monte Carlo method (RMC) computes radial and angular correlation functions which allow exploring a number of structural features of the system. The obtained curves include some artifacts. To remedy this, we propose to introduce a screened potential as an additional constraint. Obtained results show a good matching between experimental and computed functions and a significant improvement in PDFs curves with potential constraint. It suggests an efficient fit of pair distribution functions curves.

Keywords: RMC simulation; Screened potential; partial and pair distribution functions; glassy and liquid state

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