Search results for: Graph Based Modeling

Authors: Moeiz Miraoui, Chakib Tadj, Chokri ben Amar

Abstract:

Devices in a pervasive computing system (PCS) are characterized by their context-awareness. It permits them to provide proactively adapted services to the user and applications. To do so, context must be well understood and modeled in an appropriate form which enhance its sharing between devices and provide a high level of abstraction. The most interesting methods for modeling context are those based on ontology however the majority of the proposed methods fail in proposing a generic ontology for context which limit their usability and keep them specific to a particular domain. The adaptation task must be done automatically and without an explicit intervention of the user. Devices of a PCS must acquire some intelligence which permits them to sense the current context and trigger the appropriate service or provide a service in a better suitable form. In this paper we will propose a generic service ontology for context modeling and a context-aware service adaptation based on a service oriented definition of context.

Keywords: Pervasive computing system, context, contextawareness, service, context modeling, ontology, adaptation, machine learning.

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Authors: Jae Keun Park, Sung Je Hong, Kyong Hoon Kim, Tae Heum Kang, Wan Yeon Lee

Abstract:

In this paper, we propose a routing scheme that guarantees the residual lifetime of wireless sensor networks where each sensor node operates with a limited budget of battery energy. The scheme maximizes the communications QoS while sustaining the residual battery lifetime of the network for a specified duration. Communication paths of wireless nodes are translated into a directed acyclic graph(DAG) and the maximum-flow algorithm is applied to the graph. The found maximum flow are assigned to sender nodes, so as to maximize their communication QoS. Based on assigned flows, the scheme determines the routing path and the transmission rate of data packet so that any sensor node on the path would not exhaust its battery energy before a specified duration.

Keywords: Sensor network, battery, residual lifetime, routingscheme, QoS

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Authors: Reza Meimandi Parizi, Abdul Azim Abdul Ghani

Abstract:

The ever-growing usage of aspect-oriented development methodology in the field of software engineering requires tool support for both research environments and industry. So far, tool support for many activities in aspect-oriented software development has been proposed, to automate and facilitate their development. For instance, the AJaTS provides a transformation system to support aspect-oriented development and refactoring. In particular, it is well established that the abstract interpretation of programs, in any paradigm, pursued in static analysis is best served by a high-level programs representation, such as Control Flow Graph (CFG). This is why such analysis can more easily locate common programmatic idioms for which helpful transformation are already known as well as, association between the input program and intermediate representation can be more closely maintained. However, although the current researches define the good concepts and foundations, to some extent, for control flow analysis of aspectoriented programs but they do not provide a concrete tool that can solely construct the CFG of these programs. Furthermore, most of these works focus on addressing the other issues regarding Aspect- Oriented Software Development (AOSD) such as testing or data flow analysis rather than CFG itself. Therefore, this study is dedicated to build an aspect-oriented control flow graph construction tool called AJcFgraph Builder. The given tool can be applied in many software engineering tasks in the context of AOSD such as, software testing, software metrics, and so forth.

Keywords: Aspect-Oriented Software Development, AspectJ, Control Flow Graph, Data Flow Analysis

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Authors: Azze-Eddine Maredj, Nourredine Tonkin

Abstract:

The recent developments in computing and communication technology permit to users to access multimedia documents with variety of devices (PCs, PDAs, mobile phones...) having heterogeneous capabilities. This diversification of supports has trained the need to adapt multimedia documents according to their execution contexts. A semantic framework for multimedia document adaptation based on the conceptual neighborhood graphs was proposed. In this framework, adapting consists on finding another specification that satisfies the target constraints and which is as close as possible from the initial document. In this paper, we propose a new way of building the conceptual neighborhood graphs to best preserve the proximity between the adapted and the original documents and to deal with more elaborated relations models by integrating the relations relaxation graphs that permit to handle the delays and the distances defined within the relations.

Keywords: Conceptual Neighborhood Graph, Relaxation Graphs, Relations with Delays, Semantic Adaptation of Multimedia Documents.

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Authors: F. Urem, K. Fertalj, Ž. Mikulić

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This paper presents the possibilities of using Weibull statistical distribution in modeling the distribution of defects in ERP systems. There follows a case study, which examines helpdesk records of defects that were reported as the result of one ERP subsystem upgrade. The result of the applied modeling is in modeling the reliability of the ERP system from a user perspective with estimated parameters like expected maximum number of defects in one day or predicted minimum of defects between two upgrades. Applied measurement-based analysis framework is proved to be suitable in predicting future states of the reliability of the observed ERP subsystems.

Keywords: ERP, reliability, Weibull

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Authors: Paolo Fantozzi, Luigi Laura, Umberto Nanni

Abstract:

The problem of Entity relation discovery in structured data, a well covered topic in literature, consists in searching within unstructured sources (typically, text) in order to find connections among entities. These can be a whole dictionary, or a specific collection of named items. In many cases machine learning and/or text mining techniques are used for this goal. These approaches might be unfeasible in computationally challenging problems, such as processing massive data streams. A faster approach consists in collecting the cooccurrences of any two words (entities) in order to create a graph of relations - a cooccurrence graph. Indeed each cooccurrence highlights some grade of semantic correlation between the words because it is more common to have related words close each other than having them in the opposite sides of the text. Some authors have used sliding windows for such problem: they count all the occurrences within a sliding windows running over the whole text. In this paper we generalise such technique, coming up to a Weighted-Distance Sliding Window, where each occurrence of two named items within the window is accounted with a weight depending on the distance between items: a closer distance implies a stronger evidence of a relationship. We develop an experiment in order to support this intuition, by applying this technique to a data set consisting in the text of the Bible, split into verses.

Keywords: Cooccurrence graph, entity relation graph, unstructured text, weighted distance.

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Authors: Ali Shatnawi

Abstract:

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

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

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Authors: George Eleftherakis, Petros Kefalas, Anna Sotiriadou, Evangelos Kehris

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Recent advances in both the testing and verification of software based on formal specifications of the system to be built have reached a point where the ideas can be applied in a powerful way in the design of agent-based systems. The software engineering research has highlighted a number of important issues: the importance of the type of modeling technique used; the careful design of the model to enable powerful testing techniques to be used; the automated verification of the behavioural properties of the system; the need to provide a mechanism for translating the formal models into executable software in a simple and transparent way. This paper introduces the use of the X-machine formalism as a tool for modeling biology inspired agents proposing the use of the techniques built around X-machine models for the construction of effective, and reliable agent-based software systems.

Keywords: Biology inspired agent, formal methods, x-machines.

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Authors: Sahil, Rajeev Saha, Sanjeev Kumar

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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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Authors: Somayyeh Azizi, Saeed Kaboli, Atsushi Yagi

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Whole genome duplication (WGD) increased the number of yeast Saccharomyces cerevisiae chromosomes from 8 to 16. In spite of retention the number of chromosomes in the genome of this organism after WGD to date, chromosomal rearrangement events have caused an evolutionary distance between current genome and its ancestor. Studies under evolutionary-based approaches on eukaryotic genomes have shown that the rearrangement distance is an approximable problem. In the case of S. cerevisiae, we describe that rearrangement distance is accessible by using dedoubled adjacency graph drawn for 55 large paired chromosomal regions originated from WGD. Then, we provide a program extracted from a C program database to draw a dedoubled genome adjacency graph for S. cerevisiae. From a bioinformatical perspective, using the duplicated blocks of current genome in S. cerevisiae, we infer that genomic organization of eukaryotes has the potential to provide valuable detailed information about their ancestrygenome.

Keywords: Whole-genome duplication, Evolution, Double-cutand- join operation, Yeast.

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Authors: Dariusz Dymek, Leszek Kotulski

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Modeling of the distributed systems allows us to represent the whole its functionality. The working system instance rarely fulfils the whole functionality represented by model; usually some parts of this functionality should be accessible periodically. The reporting system based on the Data Warehouse concept seams to be an intuitive example of the system that some of its functionality is required only from time to time. Analyzing an enterprise risk associated with the periodical change of the system functionality, we should consider not only the inaccessibility of the components (object) but also their functions (methods), and the impact of such a situation on the system functionality from the business point of view. In the paper we suggest that the risk attributes should be estimated from risk attributes specified at the requirements level (Use Case in the UML model) on the base of the information about the structure of the model (presented at other levels of the UML model). We argue that it is desirable to consider the influence of periodical changes in requirements on the enterprise risk estimation. Finally, the proposition of such a solution basing on the UML system model is presented.

Keywords: Risk assessing, software maintenance, UML, graph grammars.

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Authors: Zhipeng Chen, Peng Zhang, Qingyun Liu, Li Guo

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With the Internet becoming the dominant channel for business and life, many IPs are increasingly masked using web proxies for illegal purposes such as propagating malware, impersonate phishing pages to steal sensitive data or redirect victims to other malicious targets. Moreover, as Internet traffic continues to grow in size and complexity, it has become an increasingly challenging task to detect the proxy service due to their dynamic update and high anonymity. In this paper, we present an approach based on behavioral graph analysis to study the behavior similarity of web proxy users. Specifically, we use bipartite graphs to model host communications from network traffic and build one-mode projections of bipartite graphs for discovering social-behavior similarity of web proxy users. Based on the similarity matrices of end-users from the derived one-mode projection graphs, we apply a simple yet effective spectral clustering algorithm to discover the inherent web proxy users behavior clusters. The web proxy URL may vary from time to time. Still, the inherent interest would not. So, based on the intuition, by dint of our private tools implemented by WebDriver, we examine whether the top URLs visited by the web proxy users are web proxies. Our experiment results based on real datasets show that the behavior clusters not only reduce the number of URLs analysis but also provide an effective way to detect the web proxies, especially for the unknown web proxies.

Keywords: Bipartite graph, clustering, one-mode projection, web proxy detection.

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Authors: M. Derakhshanfar, B. Minaei-Bidgoli

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Spatial trends are one of the valuable patterns in geo databases. They play an important role in data analysis and knowledge discovery from spatial data. A spatial trend is a regular change of one or more non spatial attributes when spatially moving away from a start object. Spatial trend detection is a graph search problem therefore heuristic methods can be good solution. Artificial immune system (AIS) is a special method for searching and optimizing. AIS is a novel evolutionary paradigm inspired by the biological immune system. The models based on immune system principles, such as the clonal selection theory, the immune network model or the negative selection algorithm, have been finding increasing applications in fields of science and engineering. In this paper, we develop a novel immunological algorithm based on clonal selection algorithm (CSA) for spatial trend detection. We are created neighborhood graph and neighborhood path, then select spatial trends that their affinity is high for antibody. In an evolutionary process with artificial immune algorithm, affinity of low trends is increased with mutation until stop condition is satisfied.

Keywords: Spatial Data Mining, Spatial Trend Detection, Heuristic Methods, Artificial Immune System, Clonal Selection Algorithm (CSA)

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Authors: Lo Kar Yin, Law Ka Mei

Abstract:

Architectural, engineering, construction and operations (AECO) industry practitioners have been well adapting to the dynamic construction market from the fundamental training of its disciplines. As further triggered by the pandemic since 2019, great steps are taken in virtual environment and the best collaboration is strived with project teams without boundaries. With adoption of Building Information Modeling-based approach and qualitative analysis, this paper is to review quantity take-off (QTO) and cost estimation process through modeling techniques in liaison with suppliers, fabricators, subcontractors, contractors, designers, consultants and services providers in the construction industry value chain for automatic project cost budgeting, project cost control and cost evaluation on design options of in-situ reinforced-concrete construction and Modular Integrated Construction (MiC) at design stage, variation of works and cash flow/spending analysis at construction stage as far as practicable, with a view to sharing the findings for enhancing mutual trust and co-operation among AECO industry practitioners. It is to foster development through a common prototype of design and build project delivery method in NEC4 Engineering and Construction Contract (ECC) Options A and C.

Keywords: Building Information Modeling, cost estimation, quantity take-off, modeling techniques.

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Authors: Sajjad Farashi

Abstract:

Neurons in the nervous system communicate with each other by producing electrical signals called spikes. To investigate the physiological function of nervous system it is essential to study the activity of neurons by detecting and sorting spikes in the recorded signal. In this paper a method is proposed for considering the spike sorting problem which is based on the nonlinear modeling of spikes using exponential autoregressive model. The genetic algorithm is utilized for model parameter estimation. In this regard some selected model coefficients are used as features for sorting purposes. For optimal selection of model coefficients, self-organizing feature map is used. The results show that modeling of spikes with nonlinear autoregressive model outperforms its linear counterpart. Also the extracted features based on the coefficients of exponential autoregressive model are better than wavelet based extracted features and get more compact and well-separated clusters. In the case of spikes different in small-scale structures where principal component analysis fails to get separated clouds in the feature space, the proposed method can obtain well-separated cluster which removes the necessity of applying complex classifiers.

Keywords: Exponential autoregressive model, Neural data, spike sorting, time series modeling.

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Authors: Souâad Boudebza, Omar Nouali, Faiçal Azouaou

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Social networks have recently gained a growing interest on the web. Traditional formalisms for representing social networks are static and suffer from the lack of semantics. In this paper, we will show how semantic web technologies can be used to model social data. The SemTemp ontology aligns and extends existing ontologies such as FOAF, SIOC, SKOS and OWL-Time to provide a temporal and semantically rich description of social data. We also present a modeling scenario to illustrate how our ontology can be used to model social networks.

Keywords: Ontology, semantic web, social network, temporal modeling.

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Authors: Adla Bentellis, Zizette Boufaïda

Abstract:

Nowadays, the pace of business change is such that, increasingly, new functionality has to be realized and reliably installed in a matter of days, or even hours. Consequently, more and more business processes are prone to a continuous change. The objective of the research in progress is to use the MAP model, in a conceptual modeling method for flexible and adaptive business process. This method can be used to capture the flexibility dimensions of a business process; it takes inspiration from modularity concept in the object oriented paradigm to establish a hierarchical construction of the BP modeling. Its intent is to provide a flexible modeling that allows companies to quickly adapt their business processes.

Keywords: Business Process, Business process modeling, flexibility, MAP Model.

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Authors: K. Ratan Singh, P. K. Das

Abstract:

An induced acyclic graphoidal cover of a graph G is a collection ψ of open paths in G such that every path in ψ has atleast two vertices, every vertex of G is an internal vertex of at most one path in ψ, every edge of G is in exactly one path in ψ and every member of ψ is an induced path. The minimum cardinality of an induced acyclic graphoidal cover of G is called the induced acyclic graphoidal covering number of G and is denoted by ηia(G) or ηia. Here we find induced acyclic graphoidal cover for some classes of graphs.

Keywords: Graphoidal cover, Induced acyclic graphoidal cover, Induced acyclic graphoidal covering number.

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Authors: Noura Boudiaf, Allaoua Chaoui

Abstract:

To analyze the behavior of Petri nets, the accessibility graph and Model Checking are widely used. However, if the analyzed Petri net is unbounded then the accessibility graph becomes infinite and Model Checking can not be used even for small Petri nets. ECATNets [2] are a category of algebraic Petri nets. The main feature of ECATNets is their sound and complete semantics based on rewriting logic [8] and its language Maude [9]. ECATNets analysis may be done by using techniques of accessibility analysis and Model Checking defined in Maude. But, these two techniques supported by Maude do not work also with infinite-states systems. As a category of Petri nets, ECATNets can be unbounded and so infinite systems. In order to know if we can apply accessibility analysis and Model Checking of Maude to an ECATNet, we propose in this paper an algorithm allowing the detection if the ECATNet is bounded or not. Moreover, we propose a rewriting logic based tool implementing this algorithm. We show that the development of this tool using the Maude system is facilitated thanks to the reflectivity of the rewriting logic. Indeed, the self-interpretation of this logic allows us both the modelling of an ECATNet and acting on it.

Keywords: ECATNets, Rewriting Logic, Maude, Finite-stateSystems, Infinite-state Systems, Boundness Property Checking.

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Authors: N. C. Sarkar, A. Bhaskar, Z. Zheng

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The driving behavior in area-based (i.e., non-lane based) traffic is induced by the presence of other individuals in the choice space from the driver’s visual perception area. The driving behavior of a subject vehicle is constrained by the potential leaders and leaders are frequently changed over time. This paper is to determine a stochastic model for a parameter of modified intelligent driver model (MIDM) in area-based traffic (as in developing countries). The parametric and non-parametric distributions are presented to fit the parameters of MIDM. The goodness of fit for each parameter is measured in two different ways such as graphically and statistically. The quantile-quantile (Q-Q) plot is used for a graphical representation of a theoretical distribution to model a parameter and the Kolmogorov-Smirnov (K-S) test is used for a statistical measure of fitness for a parameter with a theoretical distribution. The distributions are performed on a set of estimated parameters of MIDM. The parameters are estimated on the real vehicle trajectory data from India. The fitness of each parameter with a stochastic model is well represented. The results support the applicability of the proposed modeling for parameters of MIDM in area-based traffic flow simulation.

Keywords: Area-based traffic, car-following model, micro-simulation, stochastic modeling.

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Authors: Xin Zhao, Yin-fan Zhu, Wei-ping Wang, Qun Li

Abstract:

The Influence Diagrams (IDs) is a kind of Probabilistic Belief Networks for graphic modeling. The usage of IDs can improve the communication among field experts, modelers, and decision makers, by showing the issue frame discussed from a high-level point of view. This paper enhances the Time-Sliced Influence Diagrams (TSIDs, or called Dynamic IDs) based formalism from a Discrete Event Systems Modeling and Simulation (DES M&S) perspective, for Exploring Analysis (EA) modeling. The enhancements enable a modeler to specify times occurred of endogenous events dynamically with stochastic sampling as model running and to describe the inter- influences among them with variable nodes in a dynamic situation that the existing TSIDs fails to capture. The new class of model is named Dynamic-Stochastic Influence Diagrams (DSIDs). The paper includes a description of the modeling formalism and the hiberarchy simulators implementing its simulation algorithm, and shows a case study to illustrate its enhancements.

Keywords: Time-sliced influence diagrams, discrete event systems, dynamic-stochastic influence diagrams, modeling formalism, simulation algorithm.

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Authors: H. Zabiri, N. Mazuki

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Several valve stiction models have been proposed in the literature to help understand and study the behavior of sticky valves. In this paper, an alternative black-box modeling approach based on Neural Network (NN) is presented. It is shown that with proper network type and optimum model structures, the performance of the developed NN stiction model is comparable to other established method. The resulting NN model is also tested for its robustness against the uncertainty in the stiction parameter values. Predictive mode operation also shows excellent performance of the proposed model for multi-steps ahead prediction.

Keywords: Control valve stiction, neural network, modeling.

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Authors: Abdelaziz Zaidi, Belkacem Ould Bouamama, Moncef Tagina

Abstract:

Bond Graph as a unified multidisciplinary tool is widely used not only for dynamic modelling but also for Fault Detection and Isolation because of its structural and causal proprieties. A binary Fault Signature Matrix is systematically generated but to make the final binary decision is not always feasible because of the problems revealed by such method. The purpose of this paper is introducing a methodology for the improvement of the classical binary method of decision-making, so that the unknown and identical failure signatures can be treated to improve the robustness. This approach consists of associating the evaluated residuals and the components reliability data to build a Hybrid Bayesian Network. This network is used in two distinct inference procedures: one for the continuous part and the other for the discrete part. The continuous nodes of the network are the prior probabilities of the components failures, which are used by the inference procedure on the discrete part to compute the posterior probabilities of the failures. The developed methodology is applied to a real steam generator pilot process.

Keywords: Redundancy relations, decision-making, Bond Graph, reliability, Bayesian Networks.

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Authors: Mohammad Akbarpour, Reza Nasiri Mahalati, Caro Lucas

Abstract:

The existence of many biological systems, especially human societies, is based on cooperative behavior [1, 2]. If natural selection favors selfish individuals, then what mechanism is at work that we see so many cooperative behaviors? One answer is the effect of network structure. On a graph, cooperators can evolve by forming network bunches [2, 3, 4]. In a research, Ohtsuki et al used the idea of iterated prisoners- dilemma on a graph to model an evolutionary game. They showed that the average number of neighbors plays an important role in determining whether cooperation is the ESS of the system or not [3]. In this paper, we are going to study the dynamics of evolution of cooperation in a social network. We show that during evolution, the ratio of cooperators among individuals with fewer neighbors to cooperators among other individuals is greater than unity. The extent to which the fitness function depends on the payoff of the game determines this ratio.

Keywords: Evolution of cooperation, Iterated prisoner's dilemma, Model dynamics, Social network structure, Intensity of selection.

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Authors: Seong-Su Jeon, Seong-Jin Kim, Goon-Cherl Park

Abstract:

In this study, direct numerical simulation for the bubble condensation in the subcooled boiling flow was performed. The main goal was to develop the CFD modeling for the bubble condensation and to evaluate the accuracy of the VOF model with the developed CFD modeling. CFD modeling for the bubble condensation was developed by modeling the source terms in the governing equations of VOF model using UDF. In the modeling, the amount of condensation was determined using the interfacial heat transfer coefficient obtained from the bubble velocity, liquid temperature and bubble diameter every time step. To evaluate the VOF model using the CFD modeling for the bubble condensation, CFD simulation results were compared with SNU experimental results such as bubble volume and shape, interfacial area, bubble diameter and bubble velocity. Simulation results predicted well the behavior of the actual condensing bubble. Therefore, it can be concluded that the VOF model using the CFD modeling for the bubble condensation will be a useful computational fluid dynamics tool for analyzing the behavior of the condensing bubble in a wide range of the subcooled boiling flow.

Keywords: Bubble condensation, CFD modeling, Subcooled boiling flow, VOF model.

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Authors: Wei Dong, Guo-Ying Gu, Xiangyang Zhu, Han Ding

Abstract:

This paper presents preliminary results on modeling and control of a quadrotor UAV. With aerodynamic concepts, a mathematical model is firstly proposed to describe the dynamics of the quadrotor UAV. Parameters of this model are identified by experiments with Matlab Identify Toolbox. A group of PID controllers are then designed based on the developed model. To verify the developed model and controllers, simulations and experiments for altitude control, position control and trajectory tracking are carried out. The results show that the quadrotor UAV well follows the referenced commands, which clearly demonstrates the effectiveness of the proposed approach.

Keywords: Quadrotor UAV, Modeling, Control, Aerodynamics, System Identification.

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

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

Keywords: colllaborative framework; visual modeling; message handling mechanism

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Authors: Xiaoou Li, Wen Yu

Abstract:

Crude oil blending is an important unit operation in petroleum refining industry. A good model for the blending system is beneficial for supervision operation, prediction of the export petroleum quality and realizing model-based optimal control. Since the blending cannot follow the ideal mixing rule in practice, we propose a static neural network to approximate the blending properties. By the dead-zone approach, we propose a new robust learning algorithm and give theoretical analysis. Real data of crude oil blending is applied to illustrate the neuro modeling approach.

Keywords: Neural networks, modeling, stability, crude oil.

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Authors: Chanin Park, Sundarapandian Thangapandian, Yuno Lee, Minky Son, Shalini John, Young-sik Sohn, Keun Woo Lee

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Hypertension is characterized with stress on the heart and blood vessels thus increasing the risk of heart attack and renal diseases. The Renin angiotensin system (RAS) plays a major role in blood pressure control. Renin is the enzyme that controls the RAS at the rate-limiting step. Our aim is to develop new drug-like leads which can inhibit renin and thereby emerge as therapeutics for hypertension. To achieve this, molecular dynamics (MD) simulation and receptor-based pharmacophore modeling were implemented, and three rennin-inhibitor complex structures were selected based on IC50 value and scaffolds of inhibitors. Three pharmacophore models were generated considering conformations induced by inhibitor. The compounds mapped to these models were selected and subjected to drug-like screening. The identified hits were docked into the active site of renin. Finally, hit1 satisfying the binding mode and interaction energy was selected as possible lead candidate to be used in novel renin inhibitors.

Keywords: Renin inhibitor, Molecular dynamics simulation, Structure-based pharmacophore modeling

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Authors: Zoltan Theisz, Gergely Mezei

Abstract:

Modern industrial automation relies on service oriented concepts of Internet of Things (IoT) device modeling in order to provide a flexible and extendable environment for service meta-repository. However, state-of-the-art meta-modeling techniques prefer design-time modeling, which results in a heavy usage of class sometimes unnecessary static subtyping. Although this approach benefits from clear-cut object-oriented design principles, it also seals the model repository for further dynamic extensions. In this paper, a dynamic multi-level modeling approach is introduced that enables dynamic subtyping through a more relaxed partial instantiation mechanism. The approach is demonstrated on a simple sensor network example.

Keywords: Meta-modeling, dynamic subtyping, DMLA, industrial automation, arrowhead.

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