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5th International Workshop on science Gateways, IWSG 2013

作者： Herres-Pawlis, Sonja Hoffmann, Alexander Gesing, Sandra Krüger, Jens Balasko, Akos Kacsuk, Peter Grunzke, Richard Birkenheuer, Georg Packschies, Lars Brinkmann, Andre Terstyansky, Gabor Weingarten, Noam Fakultät für Chemie und Pharmazie Department Chemie Ludwig-Maximilians-Universität München Butenandtstr. 5-13 München81377 Germany Center for Bioinformatics Tübingen University of Tübingen Sand 14 Tübingen72076 Germany MTA SZTAKI Computer and Automation Research Institute Hungarian Academy of Sciences Budapest Hungary Zentrum für Informationsdienste und Hochleistungsrechnen Technische Universität Dresden Zellescher Weg 12-14 Dresden01062 Germany Paderborn Center for Parallel Computing University of Paderborn Warburger Str. 100 Paderborn33098 Germany Regionales Rechenzentrum Universität zu Köln Weyertal 121 50931 Germany Zentrum für Datenverarbeitung University of Mainz Saarstraße 21 Mainz55122 Germany Centre for Parallel Computing School of Electronics and Computer Science University of Westminster 115 New Cavendish Street LondonW1W 6UW United Kingdom

Quantum chemical workflows can be built up within the science gateway MoSGrid (Molecular Simulation Grid). Complex workflows required by the endusers are dissected into smaller workflows which can be combined freely to larger meta-workflows. General quantum chemical workflows are described here as well as the real use case of a spectroscopic analysis resulting in an enduser desired meta-workflow. All workflow features are implemented via WS-PGRADE and submitted to UNICORE. The workflows are stored in the MoSGrid repository and ported to the SHIWA repository.

关键词： Quantum chemistry

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Short-term traffic flow prediction based on echo state networks

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Advances in Information sciences and Service sciences 2012年第9期4卷 269-277页

作者： Yang, Fei Wang, Chunlu Zuo, Xingquan Zhong, Ruiming Xiang, Fei School of Computer Science Beijing University of Post and Telecommunications Key Lab of Trustworthy Distributed Computing and Service of the Ministry of Education of China Services Sciences and Intelligent Transportation Research Center 10086 China

The traffic flow is critical for the traffic control and traffic guidance. As the short-term traffic flow has the characteristics of highly nonlinear, complexity and chaos, the traditional neural networks can not totally satisfy the performance in the aspects of prediction accuracy, training speed and stability. In order to solve those problems, a novel traffic flow prediction model based on echo state networks (ESN) is proposed. The model is established based on the chaotic property of traffic flow. Firstly, through phase space reconstruction of chaotic traffic flow data, the suitable input and output of ESN can be obtained. Then, by optimizing its key parameters of ESN, the ESN can make full use of the chaotic property of the input and output data to get more accurate prediction results. The propose model is applied to a real-world traffic flow prediction problem in the area of Xizhimen bridge of Beijing city, and compare with back-propagation neural networks (BPNN), Elman neural networks (Elman) and wavelet neural networks (WNN). The prediction results show that the model outperforms comparative other models in accuracy, training speed and stability.

关键词： Elman neural networks

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A science gateway getting ready for serving the international molecular simulation community 2

A science gateway getting ready for serving the internationa...

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2012 EGI Community Forum / EMI 2nd Technical Conference, EGICF-EMITC 2012

作者： Gesing, Sandra Herres-Pawlis, Sonja Birkenheuer, Georg Brinkmann, André Grunzke, Richard Kacsuk, Peter Kohlbacher, Oliver Kozlovszky, Miklos Krüger, Jens Müller-Pfefferkorn, Ralph Schäfer, Patrick Steinke, Thomas Center for Bioinformatics Department of Computer Science University of Tübingen Sand 14 Tübingen72076 Germany Department of Chemistry Ludwig-Maximilians-University Munich Butenandtstr. 5-13 München81377 Germany Paderborn Center for Parallel Computing University of Paderborn Warburger Str. 100 Paderborn33089 Germany Johannes Gutenberg-University Mainz Mainz55099 Germany Center for Information Services and High Performance Computing Technische Universität Dresden Zellescher Weg 12-14 Germany Laboratory of Parallel and Distributed Systems MTA SZTAKI Kende Street 13-17 Budapest1111 Hungary Zuse Institute Berlin Takustraße 7 Berlin14195 Germany

The project MoSGrid (Molecular Simulation Grid) has been developing a web-based science gateway supporting the community with various services for quantum chemistry, molecular modeling, and docking. Users gain access to distributed computing infrastructures (DCIs) via intuitive user interfaces for sophisticated tools, specialized workflows, and distributed repositories. Currently, the MoSGrid community consists of about 120 users from a number of fields related to chemistry and bioinformatics located in Germany. However, the underlying security infrastructure is generally applicable and can be deployed in arbitrary projects. MoSGrid intends to address the international community by participating in the EU-projects SCI-BUS (Scientific gateway Based User Support) and ER-flow (Building an European Research Community through Interoperable Workflows and Data), and collaborating with the EU-project EDGI (European Desktop Grid Initiative). © Copyright owned by the author(s) under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike Licence.

关键词： Quantum chemistry

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Reliability tradeoffs for energy efficient wireless networks

Reliability tradeoffs for energy efficient wireless networks

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International Conference on Selected Topics in Mobile and Wireless Networking (iCOST)

作者： Talmai Oliveira Fabíola Greve Anna Maria Vegni Dharma P. Agrawal School of Computing Sciences and Informatics Center for Distributed and Mobile Computing University of Cincinnati USA Computer Science Department (DCC) Federal University of Bahia Brazil Department of Applied Electronics University of Roma Tre Rome Italy

A complex wireless deployment under realistic scenario is prone to failures and it becomes very hard to determine when to stop retransmitting a message in order to ensure proper delivery. In this paper, a simple effective link-attribute estimator is proposed that is capable of identifying the quality of communication between neighboring mobile devices while maintaining the scalability. By relying on our link-quality estimator, a maximum number of attempts is computed which (probabilistically) ensures the message delivery while maintaining energy-efficiency. Through appropriate adjustments, our estimator is capable of obtaining the bounds on the number of retransmission attempts required to increase the message delivery ratio. This enables wireless devices to establish a threshold on the number of transmission attempts, thereby avoiding those retransmissions that would only result in wasted energy. Such dynamic threshold helps enforce at least a minimum number of transmission. Simulations prove the effectiveness of our LQ estimator with respect to energy efficiency and message delivery reliability. Results indicate that an acceptable message delivery ratio can be maintained while increasing the overall energy efficiency.

关键词： Reliability Network topology Wireless networks Protocols Topology Mobile handsets

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Evolutionary design of agent-based simulation experiments

Evolutionary design of agent-based simulation experiments

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10th International Conference on Autonomous Agents and Multiagent Systems 2011, AAMAS 2011

作者： Decraene, James Lee, Yew Ti Zeng, Fanchao Chandramohan, Mahinthan Cheng, Yong Yong Low, Malcolm Yoke Hean Parallel and Distributed Computing Center School of Computer Engineering Nanyang Technological University Singapore Singapore

ISBN: (纸本)9781618391018

We present CASE (complex adaptive systems evolver), a framework devised to conduct the design of agent-based simulation experiments using evolutionary computation techniques. This framework enables one to optimize complex agent-based systems, to exhibit pre-specified behavior of interest, through the use of multi-objective evolutionary algorithms and cloud computing facilities. Copyright © 2011, International Foundation for Autonomous Agents and Multiagent Systems (***). All rights reserved.

关键词： Design of experiments

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An energy-efficient scheduling algorithm for sporadic real-time tasks in multiprocessor systems

An energy-efficient scheduling algorithm for sporadic real-t...

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13th IEEE International Workshop on FTDCS 2011, the 8th International Conference on ATC 2011, the 8th International Conference on UIC 2011 and the 13th IEEE International Conference on HPCC 2011

作者： Zhang, Dong-Song Chen, Fang-Yuan Li, Hong-Hua Jin, Shi-Yao Guo, De-Ke National Laboratory for Parallel and Distributed Processing School of Computer National University of Defense Technology Changsha 410073 China School of Computing Science Simon Fraser University 8888 University Drive Burnaby BC V5A 1S6 Canada National Laboratory for Information System Engineering School of Information Systems and Management National University of Defense Technology Changsha 410073 China

ISBN: (纸本)9780769545387

As the energy consumption of embedded multiprocessor systems becomes increasingly prominent, the real-time energy-efficient scheduling in multiprocessor systems becomes an urgent problem to reduce the system energy consumption while meeting real-time constraints. For a multiprocessor with independent DVFS and DPM at each processor, this paper proposes an energy-efficient real-time scheduling algorithm named LRE-DVFS-EACH, based on LRE-TL which is an optimal real-time scheduling algorithm for sporadic tasks. LRE-DVFS-EACH utilizes the concept of TL plane and the idea of fluid scheduling to dynamically scale the voltage and frequency of processors at the initial time of each TL plane as well as the release time of a sporadic task in each TL plane. Consequently, LRE-DVFS-EACH can obtain a reasonable tradeoff between the real-time constraints and the energy saving. LRE-DVFS-EACH is also adaptive to the change of workload caused by the dynamic release of sporadic tasks, which can obtain more energy savings. The experimental results show that compared with existing algorithms, LRE-DVFS-EACH can not only guarantee the optimal feasibility of sporadic tasks, but also achieve more energy savings in all cases, especially in the case of high workloads. © 2011 IEEE.

关键词： Real time systems

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An Energy-Efficient Scheduling Algorithm for Sporadic Real-Time Tasks in Multiprocessor Systems

An Energy-Efficient Scheduling Algorithm for Sporadic Real-T...

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IEEE International Conference on High Performance computing and Communications (HPCC)

作者： Dong-Song Zhang Fang-Yuan Chen Hong-Hua Li Shi-Yao Jin De-Ke Guo National Laboratory for Parallel and Distributed Processing School of Computer National University of Defense Technology Changsha China School of Computing Science Simon Fraser University Burnaby BC Canada National Laboratory for Information System Engineering School of Information Systems and Management National University of Defense Technology Changsha China

关键词： Real time systems Scheduling algorithm Time frequency analysis Scheduling Heuristic algorithms Power demand

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Lecture Notes in computer science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics): Preface

Lecture Notes in Computer Science (including subseries Lectu...

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Lecture Notes in computer science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2011年 6844 LNCS卷 VI页

作者： Dehne, Frank Iacono, John Sack, Jörg-Rüdiger Carleton University School of Computer Science Parallel Computing and Bioinformatics Laboratory 1125 Colonel By Drive Ottawa ON K1S 5B6 Canada Polytechnic Institute of New York University Department of Computer Science and Engineering 5 MetroTech. Center New York NY 11201 United States Carleton University School of Computer Science Herzberg Laboratories 1125 Colonel By Drive Ottawa ON K1S 5B6 Canada

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Research advances in Automated Red Teaming 10

Research advances in Automated Red Teaming

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Proceedings of the 2010 Spring Simulation Multiconference

作者： Decraene, James Zeng, Fanchao Low, Malcolm Yoke Hean Zhou, Suiping Cai, Wentong Parallel and Distributed Computing Center School of Computer Engineering Nanyang Technological University Singapore 639798 Singapore

ISBN: (纸本)9781450300698

We present, combine and apply novel research advances to Automated Red Teaming (ART). ART is an automated vulnerability assessment tool which is employed to uncover the hard-to-predict and potentially critical elements of military operations. ART is principally based on the use of agent-based modelling/simulation, data farming and evolutionary computation. In this paper, we present two distinct computational methods to address multiple issues of ART: constraint handling and computing budget. These novel techniques originate from the research fields of evolutionary computation and cloud computing. These techniques are applied to a military toy model which was developed with the agent-based simulation platform MANA. We then discuss another potential bottleneck of ART: many-objective optimization. The aim of this research is to optimize ART to best assist defense experts in operational analysis and, ultimately, in critical decision making. © 2010 SCS.

关键词： Decision making

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A hybrid interest management mechanism for peer-to-peer networked virtual environments

A hybrid interest management mechanism for peer-to-peer netw...

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24th IEEE International parallel and distributed Processing Symposium, IPDPS 2010

作者： Pan, Kec Cai, Wentong Tang, Xueyan Zhou, Suiping Turner, Stephen John Parallel and Distributed Computing Center School of Computer Engineering Nanyang Technological University Singapore 639798 Singapore

ISBN: (纸本)9781424464432

An Interest Management (IM) mechanism eliminates irrelevant status updates transmitted in Networked Virtual Environments (NVE). However, IM itself involves both computation and communication overhead, of which the latter is the focus of this paper. Traditionally, there are area-based and cell-based IM mechanisms. This paper proposes a hybrid IM mechanism for peer-to-peer NVEs, that utilizes the cell-based mechanism to reduce Area-Of-Interest (AOI) updates in the area-based mechanism so as to reduce its communication overhead. To compare the new mechanism with the two traditional approaches, a multiplayer game scenario is simulated. The performance results show that, compared to the traditional mechanisms, the hybrid mechanism reduces the upload bandwidth consumption by more than 25.28 percent, reduces the overhead ratio from more than 67.54 percent to only 25.17 percent, and allows more than 5000 players in the Internet to join the same game with today's network upload bandwidth. © 2010 IEEE.

关键词： Environmental management

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