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parallel Genetic Algorithms for Crystal Structure Prediction: Successes and Failures in Predicting Bicalutamide Polymorphs

Parallel Genetic Algorithms for Crystal Structure Prediction...

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5th international conference on Intelligent computing

作者： Ferraro, Marta B. Orendt, Anita M. Facelli, Julio C. Univ Utah Ctr High Performance Comp 155 S 1452 E Room 405 Salt Lake City UT 84112 USA Universidad de Buenos Facultad de Ciencias Exactas y Naturales Departamento de Fisica Buenos Aires DF Argentina Univ Utah Dept Biomed Informat Salt Lake City UT 84112 USA

ISBN: (纸本)9783642040696

this paper describes the application of our distributed computing framework for crystal structure prediction, Modified Genetic Algorithms for Crystal and Cluster Prediction (MGAC), to predict the crystal structure of the two known polymorphs of bicalutamide. the paper describes our success in finding the lower energy polymorph and the difficulties encountered in finding the second one. the results show that genetic algorithms are very effective in finding low energy crystal conformations, but unfortunately many of them are not plausible due to spurious effects introduced by the energy potential function used in the selection process. We propose to solve this by using a multi objective optimization GA approach, adding the unit cell volume as a second optimization target.

关键词： parallel genetic algorithms crystal structure prediction drug polymorphism

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Formal Derivation of a Generic Algorithmic Program for Solving a Class of Extremum Problems

Formal Derivation of a Generic Algorithmic Program for Solvi...

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ACIS international conference on Software Engineering, Artificial Intelligence, Networking, and parallel/distributed computing (SNPD)

作者： Chang-Jing Wang Jin-Yun Xue Jiangxi Normal University Nanchang Jiangxi CN Key Laboratory of High-Performance Computing Technology Jiangxi Normal University Nanchang China Institute of Software Chinese Academy and Sciences Beijing China

In this paper, we derive formally, using PAR method, a generic algorithmic program for solving a class of extremum problems which can be abstract into a algebra structure called semiring. Some typical algorithms, such as minimal sum problem, maximal product problem, longest ascending segment problem, etc, are all instances of the generic algorithmic program. We put emphasis on the algorithmic derivation rather than the algorithmic verification. Not only embody the designer insight but also reveal the main ideas and ingenuity of these algorithms. the example in this paper confirms that PAR method is a simple and practical approach in deriving high-trustworthy generic algorithm programs.

关键词： Algorithm design and analysis Software algorithms Algebra Software engineering Artificial intelligence Intelligent networks Intelligent structures distributed computing Laboratories Computers

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A Generic e-Government Process Based on Case Studies

A Generic e-Government Process Based on Case Studies

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ACIS international conference on Software Engineering, Artificial Intelligence, Networking, and parallel/distributed computing (SNPD)

作者： Agnes Owuato Odongo Sungwon Kang Jae Jeung Rho College of Information Science and Technology KAIST South Korea Department of IT Business KAIST Daejeon South Korea

E-Government implementation pursuit is rising because of its potential and positive impacts. However, the complexity surrounding its implementation process is the same worldwide and little attention has been focused on defining e-Government implementation process and subsequent outline on how to tailor the process based on specific user needs and requirements. Due to extensive challenges arising from the tailoring and implementation process of e-Government, this paper examines the e-Government processes of Australia, Canada, Malaysia, Singapore and Korea in order to derive stages and activities for e-Government process. Based on the survey results the paper proposes a generic e-Government process and discusses the tailoring of the generic process to meet the specific user needs and requirements.

关键词： Electronic government Australia Software engineering Artificial intelligence Intelligent networks distributed computing Educational institutions Information science Customer service Heart

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Need for Evaluation on the Effectiveness of Computer-Mediated Communication

Need for Evaluation on the Effectiveness of Computer-Mediate...

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ACIS international conference on Software Engineering, Artificial Intelligence, Networking, and parallel/distributed computing (SNPD)

作者： Yi-Chieh Ho General Education Center Hwa Hsia Institute of Technology Taiwan

Computer-mediated communication (CMC) has been a `hot' topic in computer-assisted language learning (CALL); however, its effectiveness remains uncertain. this article reviews the nature of CMC, pinpoints strengths and weaknesses of incorporating it into language learning, considers factors that may affect the quality of CMC, and identifies possible direction for future studies. the author argues that sound criteria are lacking for the evaluation of the effectiveness of CMC and attempts to identify a set of possible criteria for classroom-based studies drawing from literature in language teaching and learning. the author also urges engineers to consider these criteria when designing new software, so that end users can conveniently measure its effectiveness and record their own progress.

关键词： Computer mediated communication distributed computing Computer science education Natural languages Writing Software engineering Artificial intelligence Intelligent networks Educational technology Computer networks

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parallel and distributed approach for processing large-scale XML datasets

Parallel and distributed approach for processing large-scale...

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international Workshop on Grid computing

作者： Zacharia Fadika Michael R. Head Madhusudhan Govindaraju Computer Science Department Binghamton University Binghamton NY USA

An emerging trend is the use of XML as the data format for many distributed scientific applications, with the size of these documents ranging from tens of megabytes to hundreds of megabytes. Our earlier benchmarking results revealed that most of the widely available XML processing toolkits do not scale well for large sized XML data. A significant transformation is necessary in the design of XML processing for scientific applications so that the overall application turn-around time is not negatively affected. We present both a parallel and distributed approach to analyze how the scalability and performance requirements of large-scale XML-based data processing can be achieved. We have adapted the Hadoop implementation to determine the threshold data sizes and computation work required per node, for a distributed solution to be effective. We also present an analysis of parallelism using our Piximal toolkit for processing large-scale XML datasets that utilizes the capabilities for parallelism that are available in the emerging multi-core architectures. Multi-core processors are expected to be widely available in research clusters and scientific desktops, and it is critical to harness the opportunities for parallelism in the middleware, instead of passing on the task to application programmers. Our parallelization approach for a multi-core node is to employ a DFA-based parser that recognizes a useful subset of the XML specification, and convert the DFA into an NFA that can be applied to an arbitrary subset of the input. Speculative NFAs are scheduled on available cores in a node to effectively utilize the processing capabilities and achieve overall performance gains. We evaluate the efficacy of this approach in terms of potential speedup that can be achieved for representative XML data sets.

关键词： Large-scale systems XML parallel processing Process design Performance analysis Scalability Data processing distributed computing Computer architecture Multicore processing

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A Method for Dynamic NCW Service Selection Based on EA Ontology

A Method for Dynamic NCW Service Selection Based on EA Ontol...

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ACIS international conference on Software Engineering, Artificial Intelligence, Networking, and parallel/distributed computing (SNPD)

作者： Sang-Kyu Hwang Kwang-Je Lee Young-Tae Byun MND of KOREA Hongik University South Korea

Service-Oriented computing (SOC) becomes nowadays the core computing paradigm that utilizes services as fundamental elements for executing information warfare. In the Department of Defense (DoD), the main goal of SOC is that all available information resources crowd into a network, so called `Global Information Grid (GIG)' for Net Centric Warfare (NCW), with little effort for network centric services. For achieving the goal, Defense Information Systems Agency (DISA)'s Net-Centric Enterprise Services(NCES) project has a development budget of $37.2 million and an operating budget of $89.9 million for fiscal year 2009. With increasing emphasis on SOC, the automatic service binding method becomes a hot issue in SOC. this paper proposes a new approach of using the DoD Enterprise Architecture Reference Models(DoD EA RM) as a mid-level ontology to support an automatic NCW service binding for a business-level service composition.

关键词： Ontologies US Government Collaboration Military computing Service oriented architecture Documentation Software engineering Artificial intelligence Intelligent networks distributed computing

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A distributed (Constant of R, 2)-Approximation Algorithm for Fault-Tolerant Facility Location

A Distributed (Constant of R, 2)-Approximation Algorithm for...

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IEEE international conference on parallel and distributed computing, applications and technologies (PDCAT)

作者： Shihong Xu Hong Shen University of Adelaide Australia

We propose an approximation algorithm for the problem of Fault-Tolerant Facility Location which is implemented in a distributed and asynchronous manner within O(n) rounds of communication. Here n is the number of vertices in the network. As far as we know, the performance guarantee of similar algorithms (centralized) remains unknown except a special case where all cities have a uniform connectivity requirement. In this paper, we assume the shortest-path routing scheme deployed, as well as a constant (given) size of R, which represents the distinct levels of fault-tolerant capability provided by the system (i. e distinct connectivity requirements), and prove that the cost of our solution is no more than |R| · F* + 2 · C* in the general case, where F* and C* are respectively the facility cost and connection cost in an optimal solution. Further more, extensive numerical experiments showed that the quality of our solutions is comparable to the optimal solutions when |R| is no more than 10.

关键词： Fault tolerance Cities and towns Approximation algorithms Cost function Industrial plants distributed algorithms distributed computing Routing Fault tolerant systems Operations research

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Understanding the Role of Enterprise Architecture towards Better Institutionalization

Understanding the Role of Enterprise Architecture towards Be...

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ACIS international conference on Software Engineering, Artificial Intelligence, Networking, and parallel/distributed computing (SNPD)

作者： Lawrence Chung Hyun-Kyung Song Yeong-Tae Song Nary Subramanian Department of Computer Science University of Texas Dallas Richardson USA Department of Computer and Information Science Towson University Towson USA Department of Engineering and Computer Science University of Texas Tyler Tyler USA

In order for a software system to be more beneficial to an organization, its services should be laid out in a careful consideration of the various constituents of the organization, or the architecture of the organization. Here after enterprise architecture. A software system and the enterprise architecture then ultimately help achieve the goals that the organization has, while helping to solve some critical problems the organization might be faced with. In this paper, we present our initial understanding of the role of an enterprise architecture in relation to such goals and problems, as well as to the requirements on, and the specification of, a software system. Based on such understanding, we then present our preliminary work on how to proceed towards institutionalizing an enterprise architecture for an organization, with an emphasis on the high-level concerns that an enterprise architect should have during the process of institutionalization.

关键词： Computer architecture Software systems distributed computing Computer science Software engineering Artificial intelligence Intelligent networks Computer networks Concurrent computing Information science

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Compute Pairwise Manhattan Distance and Pearson Correlation Coefficient of Data Points with GPU

Compute Pairwise Manhattan Distance and Pearson Correlation ...

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ACIS international conference on Software Engineering, Artificial Intelligence, Networking, and parallel/distributed computing (SNPD)

作者： Dar-Jen Chang Ahmed H. Desoky Ming Ouyang Eric C. Rouchka Computer Engineering & Computer Science Department University of Louisville Louisville KY USA

Graphics processing units (GPUs) are powerful computational devices tailored towards the needs of the 3-D gaming industry for high-performance, real-time graphics engines. Nvidia Corporation released a new generation of GPUs designed for general-purpose computing in 2006, and it released a GPU programming language called CUDA in 2007. the DNA microarray technology is a high throughput tool for assaying mRNA abundance in cell samples. In data analysis, scientists often apply hierarchical clustering of the genes, where a fundamental operation is to calculate all pairwise distances. If there are n genes, it takes O(n^2) time. In this work, GPUs and the CUDA language are used to calculate pairwise distances. For Manhattan distance, GPU/CUDA achieves a 40 to 90 times speed-up compared to the central processing unit implementation; for Pearson correlation coefficient, the speed-up is 28 to 38 times.

关键词： Sequences distributed computing Central Processing Unit Concurrent computing Power engineering computing DNA Bioinformatics Computer networks Data analysis Graphics

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Manipulating Clocks in Timed Automata Using PVS

Manipulating Clocks in Timed Automata Using PVS

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ACIS international conference on Software Engineering, Artificial Intelligence, Networking, and parallel/distributed computing (SNPD)

作者： Qingguo Xu Huaikou Miao School of Computer Engineering and Science Shanghai University Shanghai China

Clock is an important notion in TA (Timed automata). In order to manipulate clock easily and conveniently in TA, a mechanized system called FVofTA (formal verification of timed automata) for specifying and reasoning about real-time systems using TA theory in PVS (prototype verification system) is presented in this paper. this system includes two parts: one for modeling real-time system using TA template in PVS and the other for proof intending for formal verification of real-time system. As one of the important modular of FVofTA, clock manipulations are given in PVS specification and mainly include (1) clock interpretation and clock constraints, (2) clock region equivalence definition and its application, and (3) the clock zone and its DBM (difference-bound matrices) representation. Finally, a case study is investigated with the aid of clock manipulation theories and the results are satisfied.

关键词： Clocks Automata Real time systems Formal verification distributed computing Prototypes Software engineering Artificial intelligence Intelligent networks Computer networks

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