{"title":"Modelling Distributed Multiscale Simulation Performance: An Application to Nanocomposites","authors":"D. Groen, James J. Suter, P. Coveney","doi":"10.1109/eScienceW.2011.37","DOIUrl":"https://doi.org/10.1109/eScienceW.2011.37","url":null,"abstract":"Clay polymer nanocomposites are a new range of particle filled composite material which interact over many different length scales, ranging from the quantum mechanical level to macroscopic. Multiscale simulation is therefore an important technique to understand and, ultimately, predict the properties of the composites from their individual components. We describe two multiscale simulation scenarios in which we couple simulations running on different levels of scale: in the loosely-coupled scheme we have a unidirectional coupling of one level to the next level, while in the tightly-coupled scheme we have simulations creating multiple inputs and parameters for simulations at different levels, running concurrently. We present a performance model that predicts the multiscale efficiency of our multiscale application. Here the multiscale efficiency constitutes the fraction of runtime spent on executing the simulation codes, and not on operations facilitating the coupling between the simulations. We find that the efficiency is high (greater than 90 %) until the number of sub-simulations exceeds a critical number (> 10 in our examples).","PeriodicalId":267737,"journal":{"name":"2011 IEEE Seventh International Conference on e-Science Workshops","volume":"92 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123823025","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Benjamin Löhnhardt, Mathias Kaspar, R. Grutz, F. Viezens, F. Dickmann
{"title":"A Prototype System for Advance Reservations in a Biomedical Grid Computing Visualization Infrastructure","authors":"Benjamin Löhnhardt, Mathias Kaspar, R. Grutz, F. Viezens, F. Dickmann","doi":"10.1109/eScienceW.2011.22","DOIUrl":"https://doi.org/10.1109/eScienceW.2011.22","url":null,"abstract":"The infrastructure of the German Grid Initiative is mainly used for computational jobs. A visualization infrastructure to process and visualize, among others, medical imaging and genome data, was set up for the German biomedical community. Interactive jobs like these require advance reservations, since they are used in combination with computational jobs. Thus, a reservation management system is needed. An evaluation of the existing scheduling system, and of solutions with other scheduling tools, showed that no existing approach fits all of the requirements. Therefore, a new solution had to be found. Within this work, the prototype of a database-based reservation management system, which uses the MediGRID portal as a user interface, is described. This system allows the advance reservation of time slots for visualization sessions. Challenges of this system, e.g. the combined use of resources with computational jobs and visualization sessions, are discussed.","PeriodicalId":267737,"journal":{"name":"2011 IEEE Seventh International Conference on e-Science Workshops","volume":"302 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121265531","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Achieving Semantic Interoperability between Physiology Models and Clinical Data","authors":"B. Bono, S. Sammut, P. Grenon","doi":"10.1109/eScienceW.2011.29","DOIUrl":"https://doi.org/10.1109/eScienceW.2011.29","url":null,"abstract":"The practice and research of biomedicine generates considerable quantities of data and model resources (DMRs). The RICORDO effort works closely with modelling communities in the physiology and pharmacology domains to provide a semantic interoperability framework that addresses obstacles to biomedical DMR sharing. The RICORDO framework adopts a core set of community supported standard reference ontologies with which to effect, and reason over, modelling resource metadata. In some cases, knowledge in reference ontologies that is critical to particular interoperability objectives may be incomplete. The specific objective discussed in this paper focuses on the derivation of semantic interoperability between cardiovascular physiology models and related clinical data. In particular, the aim of this work is to semantically infer the anatomical relationship between variables in the Guyton circulatory model and data annotated with vascular disease terms from SNOMED-CT and the International Classification of Disease (ICD-10). The cardiovascular knowledgebase in the Foundational Model of Anatomy (FMA) was curated to provide a more extensive coverage of terms and relations referred to in Guyton model variables and related clinical data. A knowledge representation of cardiovascular connectivity was also developed with which to infer the topological features of the cardiovascular system exported from the curated knowledgebase. This approach allowed the calculation of semantic distance between physiology model variables and disease terms on the basis of their involvement with specific cardiovascular structures. The resulting methodology and associated extended knowledgebase allow the comparison of DMR metadata arising from annotations that conform to the RICORDO ontology standard. In particular, this approach quantifiably and semantically relates physiology and disease concepts annotating mathematical models and clinical data.","PeriodicalId":267737,"journal":{"name":"2011 IEEE Seventh International Conference on e-Science Workshops","volume":"47 2 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129714876","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Programming Abstraction for Resource Aware Stream Processing for Scientific Workflows","authors":"Chathura Herath, Beth Plale","doi":"10.1109/eScienceW.2011.20","DOIUrl":"https://doi.org/10.1109/eScienceW.2011.20","url":null,"abstract":"As the volume of real time data available for use in scientific discovery explodes, the limiting factor is increasingly the amount of time and attention a scientist can give to a problem. Processing event streams from heterogeneous sources in real time adds a dimension to e-Science workflow systems that is less well understood. Considering the types of computations that scientific workflows focus on and the latencies associated with them, it is not immediately evident that scientific workflows can directly apply to high throughput real time event processing. In this paper we propose a model for extending an established scientific workflow system to incorporate event processing without losing the richness of the programming abstraction.","PeriodicalId":267737,"journal":{"name":"2011 IEEE Seventh International Conference on e-Science Workshops","volume":"84-85 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129453440","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Parallel Scale-Transfer in Multiscale MD-FE Coupling Using Remote Memory Access","authors":"Dorian Krause, R. Krause","doi":"10.1109/eScienceW.2011.8","DOIUrl":"https://doi.org/10.1109/eScienceW.2011.8","url":null,"abstract":"We present a novel remote memory access based approach to the parallelization of a coupled Molecular Dynamics-Finite Element (MD/FE) code and its implementation. Such multiscale simulation codes can be used for, e.g., the simulation of localized nonlinear phenomena as fracture in solids. Caused by the dynamic data distribution of MD codes this requires non-standard communication mechanisms. We investigate different implementation options for realizing the scale transfer between MD and FE in parallel. We present benchmark results obtained on three different parallel architectures which give interesting insights into the performance of our new approach. Additionally, we study the scaling of a full coupled code. To the best of our knowledge, these results are the first available scaling results for this kind of heterogeneous code.","PeriodicalId":267737,"journal":{"name":"2011 IEEE Seventh International Conference on e-Science Workshops","volume":"78 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114348655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
J. Borgdorff, E. Lorenz, A. Hoekstra, J. Falcone, B. Chopard
{"title":"A Principled Approach to Distributed Multiscale Computing, from Formalization to Execution","authors":"J. Borgdorff, E. Lorenz, A. Hoekstra, J. Falcone, B. Chopard","doi":"10.1109/eScienceW.2011.9","DOIUrl":"https://doi.org/10.1109/eScienceW.2011.9","url":null,"abstract":"In several disciplines, a multiscale approach is being used to model complex natural processes yet a principled background to multiscale modeling is not clear. Additionally, some multiscale models requiring distributed resources to be computed in an acceptable timeframe, while no standard framework for distributed multiscale computing is place. In this paper a principled approach to distributed multiscale computing is taken, formalizing multiscale modeling based on natural processes. Based on these foundations, the Multiscale Modeling Language (MML) is extended as a clear, general, formal, and high-level means to specify scales and interactions in, and as a guide to a uniform approach to crystalize, communicate, develop and execute a multiscale model. With an MML specification, a multiscale model can be analyzed for scheduling or deadlock detection using a task graph. The potential of this method is shown by applying it to two selected applications in nano materials and biophysics.","PeriodicalId":267737,"journal":{"name":"2011 IEEE Seventh International Conference on e-Science Workshops","volume":"187 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131610489","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Reputation-aware Filtering Services for Citizen Science Data","authors":"C. Brooking, J. Hunter","doi":"10.1109/eScienceW.2011.25","DOIUrl":"https://doi.org/10.1109/eScienceW.2011.25","url":null,"abstract":"The Internet, Web 2.0 and Social Networking technologies are enabling citizens to actively participate in \"citizen science\" projects by contributing data to scientific programs. However, the limited expertise of contributors can lead to poor quality or misleading data being submitted. Subsequently, the scientific community often perceive citizen science data as not worthy of being used in serious scientific research. In this paper, we describe how online reputation models can be adapted for citizen science projects to provide a simple and effective mechanism for assessing the reliability of community-generated data. We also describe the reputation aware querying, filtering and visualization services that we have developed that enable users to distinguish between datasets based on the reputation of the source/contributor. The resulting services are evaluated in the context of the Coral Watch project which uses volunteers to collect data on coral reef bleaching.","PeriodicalId":267737,"journal":{"name":"2011 IEEE Seventh International Conference on e-Science Workshops","volume":"21 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129989503","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}