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Workshop Program CyberBridges 2013 – Developing the Next Generation of Cyberinfrastructure Faculty for Computational and Data-enabled Science and Engineering CyberBridges 2013 – Developing the Next Generation of Cyberinfrastructure Faculty for Computational and Data-enabled Science and Engineering Welcome to the NSF CyberBridges 2013 Workshop! Overview of the NSF CyberBridges Workshop The NSF CyberBridges 2013 Workshop has been designed to bring together the community of NSF OCI/ACI CAREER researchers to initiate new collaborations, encourage networking, and to provide feedback to NSF on how to further build the community of cyberinfrastructure researchers. The workshop offers a scientific program in five critical areas of cyberinfrastructure that include: Interdisciplinary Research and Grand Challenges in Cyberinfrastructure, Computational- and Data-enabled Science and Engineering, High Performance Computing, Visualization, and Education. Over the next two days, leaders from each of these areas will present keynote talks on topics ranging from data enabled molecular modeling and visualization to high performance computing. NSF program directors will also give presentations on programs that involve cyberinfrastructure and will participate on a panel which will offer insight into developing a research program in cyberinfrastructure. Another highlight of the program is the poster session, in which NSF CAREER Awardees will present posters featuring topics such as studies of 3D dynamics in the global magnetosphere, multiscale sensing and simulations for bridge scour, scalable communications, high performance computing and visualization in earthquake modeling, as well as other topics. The workshop also offers several opportunities for networking and discussion of cyberinfrastructure challenges. We hope that you will find the workshop useful for meeting new colleagues, developing new research connections, and gaining new insights in developing a research and education career in cyberinfrastructure. Thomas Hacker and Suzanne Shontz Co-Chairs, NSF CyberBridges Workshop CyberBridges 2013 – Developing the Next Generation of Cyberinfrastructure Faculty for Computational and Data-enabled Science and Engineering Agenda (All presentations are to be held in the Main Ballroom.) th Monday, July 15 07:30-08:30 Breakfast - Lobby 08:30-09:00 Farnam Jahanian, Assistant Director for CISE, National Science Foundation 09:00-09:30 Alan Blatecky, Division Director, Advanced Cyberinfrastructure, National Science Foundation 09:30-10:00 Break - Lobby 10:00-10:30 Computational- and Data-enabled Science & Engineering Omar Ghattas, University of Texas – Austin 10:30-11:30 Discussion 11:30-12:30 Lunch - Lobby 12:30-13:00 High Performance Computing William Gropp, University of Illinois - Urbana-Champaign 13:00–14:00 Discussion 14:00-14:30 Break - Lobby 14:30-15:30 Program Director Panel 15:30-16:00 Break - Lobby 16:00-17:30 Poster Session 18:00-20:00 Dinner (Junior Ballroom) th Tuesday, July 16 07:30-08:30 Breakfast - Lobby 08:30-09:00 Education Steve Gordon, Ohio Supercomputing Center 09:00-10:00 Discussion 10:00-10:30 Break - Lobby 10:30-11:00 Data Enabled Molecular Modeling, Uncertainty Quantification and Visualization Chandrajit Bajaj, University of Texas - Austin 11:00-12:00 Discussion 12:00-13:00 Lunch - Lobby 13:00-13:30 Grand Challenges in Cyberinfrastructure & Interdisciplinary Research Brian Athey, University of Michigan 13:30-14:30 Discussion 14:30-15:00 Workshop Summary 15:00 Departure CyberBridges 2013 – Developing the Next Generation of Cyberinfrastructure Faculty for Computational and Data-enabled Science and Engineering Speakers/Presentations Monday, July 15, 2013 8:30-9:00am Emerging Frontiers in Computing and Communication Farnam Jahanian, Assistant Director for CISE, National Science Foundation The mission of NSF’s Directorate for Computer and Information Science and Engineering (CISE) is to uphold U.S. leadership in computing, communications, and information science and engineering. To achieve this, CISE supports investigator-initiated research in computer and information science and engineering, fosters broad interdisciplinary collaboration, helps develop and maintain cutting-edge national cyberinfrastructures for research and education, and contributes to the developments of a computer and information technology workforce with skills essential for success in the increasingly global market. This talk will focus on the technological advances and emerging frontiers that are accelerating the pace of discovery and innovation across all science and engineering disciplines and how they inform NSF’s investments. In particular, it will describe the CISE Directorate’s current initiatives and emerging priorities, including new research opportunities. These efforts provide a foundation for economic competitiveness and will drive new innovations supporting our national priorities, such as sustainability, smart transportation, disaster resilience, education and life-long learning, public safety and national security. 9:00-9:30am Alan Blatecky, Division Director, Advanced Cyberinfrastructure, National Science Foundation 10:00-10:30am - Computational- and Data-enabled Science & Engineering Big Data Meets Big Models: Towards Solution of Large-Scale Bayesian Inverse Problems Omar Ghattas, John A. and Katherine G. Jackson Chair in Computational Geosciences, Professor of Geological Sciences and Mechanical Engineering, and Director of the Center for Computational Geosciences in the Institute for Computational Engineering and Sciences at the University of Texas at Austin One of the greatest challenges in computational and data-enabled science and engineering (CDS&E) today is how to combine complex data with large-scale models to create better predictions. This challenge cuts across every application area within CDS&E, from the geosciences to materials to chemical systems to biological systems to astrophysics to engineered systems in aerospace, transportation, buildings, and biomedicine, and beyond. At the heart of this challenge is an inverse problem: we seek to infer unknown model inputs CyberBridges 2013 – Developing the Next Generation of Cyberinfrastructure Faculty for Computational and Data-enabled Science and Engineering (parameters, source terms, initial or boundary conditions, model structure, etc.) from observations of model outputs. The critical need to quantify the uncertainty in the solution of such inverse problems has gained increasing recognition in recent years. This can be carried out in a coherent manner by casting the problem as one in Bayesian inference. Here, uncertain observations and uncertain models are combined with available prior knowledge to yield a probability density as the solution of the inverse problem, thereby providing a systematic means of quantifying uncertainties in the model parameters. This facilitates uncertainty quantification of model predictions when the resulting input uncertainties are propagated to the outputs. Unfortunately, solution of such Bayesian inverse problems for systems governed by large-scale, complex computational models with large-scale, complex data has traditionally been intractable. However, a number of advances over the past decade have brought this goal much closer. First, improvements in scalable forward solvers for many classes of large-scale models have made feasible the repeated evaluation of model outputs for differing inputs. Second, the exponential growth in high performance computing capabilities has multiplied the effects of the advances in solvers. Third, the emergence of MCMC methods that exploit problem structure has radically improved the prospects of sampling probability densities for inverse problems governed by expensive models. And fourth, recent exponential expansions of observational capabilities have produced massive volumes of data from which inference of large computational models can be carried out. 12:30 -1:00pm - High Performance Computing William Gropp, Thomas M. Siebel Chair in Computer Science, Computer Science Department; Director, Parallel Computing Institute; Deputy Director for Research Institute for Advanced Computing Applications and Technologies at University of Illinois – Urbana-Champaign 2:30-3:30pm – Program Director Panel Evelyn M. Goldfield, Program Director, Chemistry Division, National Science Foundation Daniel S. Katz, Program Director, Division of Advanced Cyberinfrastructure, National Science Foundation Peter McCartney, Program Director, Division of Biological Infrastructure, National Science Foundation Thomas Russell, Senior Staff Associate, Office of the Assistant Director, Mathematical and Physical Sciences, National Science Foundation Barry I. Schneider, Program Director, Division of Advanced Cyberinfrastructure, National Science Foundation 4:00-5:30pm – Poster Session (See listing on next few pages) CyberBridges 2013 – Developing the Next Generation of Cyberinfrastructure Faculty for Computational and Data-enabled Science and Engineering Tuesday, July 16, 2013 8:30-9:00am – Education Steven I. Gordon, Interim Co-Executive Director, Ohio Supercomputer Center 10:30-11:00am - Data Enabled Molecular Modeling, Uncertainty Quantification and Visualization Chandrajit Bajaj, Director, Center for Computational Visualization, Institute for Computational and Engineering Sciences and Professor of Computer Sciences at University of Texas at Austin Discoveries in bioinformatics promise to revolutionize the treatment and prevention of diseases. With the rapid growth and
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