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Workshop A (Cross-Facility)—Driving Discovery: Visualization, Data Management, and Workflow Techniques

Tuesday, May 7, 2013 (all day)
Bldg. 401, Rm. A5000

Organizers: Nicholas Schwarz (APS), Siwei Wang (APS), Ian McNulty (CNM), and C.D. Phatak (EMC)

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OVERVIEW

The cross-facility workshops cover scientific themes and research topics spanning the scientific scope of all three user facilities.

The great richness of data collected at the APS, CNM, and EMC plays critical roles in scientific exploration. As an example, imaging and microscopy experiments are adding dynamics and spectroscopic information to tomography. However, methods for understanding data have not kept pace; there is no “Moore’s law” scaling that applies to by-hand examination of data. Manual management and analysis of data is too time consuming and cumbersome for large, complex datasets. State-of-the-art mathematics and computer science tools will help automate the understanding process for large datasets. Only then will scientific understanding be able to fully benefit from the coming deluge of data.

This workshop is organized to discuss the state of the art and future potential of advanced optimization, visualization, data management, and workflow techniques for Argonne’s user facilities. It brings together experts in optimization, computer vision, visualization and data management alongside user scientists to discuss current and future applications. The goal is to elaborate on how users can benefit from these techniques to enable new scientific discovery.

REPORT

The workshop report (PDF) summarizes each talk and the overall issues raised.

AGENDA

8:30 Nicholas Schwarz (Argonne National Laboratory)
Welcome & Introductory Remarks (talk)
  Session 1—Chair: Keith Moffat (University of Chicago)
8:50 Gayle Woloschak (Northwestern University)
Mapping, Quantifying, and Characterizing Nanomaterials-Cells Interactions (abstract | talk)
9:20 Jean-Christophe Olivo-Marin (Institut Pasteur, France)
Mathematical Microscopy (abstract | talk)
9:50 Yali Amit (University of Chicago)
Statistical Object Models: From Computer Vision to Biological Imaging (abstract)
10:20 Break
  Session 2—Chair: Sven Leyffer (Argonne National Laboratory)
10:50 Ian Foster (Argonne National Laboratory)
Globus Online Tools for Data Management and Analysis (abstract | talk)
11:20 Daniela Ushizima (Lawrence Berkeley National Laboratory)
Analysis and Visualization of High-throughput Experiments (abstract | talk)
11:50 Todd Munson (Argonne National Laboratory)
Numerical Optimization and Data Mining (abstract | talk)
12:15 Lunch
  Session 3—Chair: Amanda Petford-Long (Argonne National Laboratory)
1:45 Michael Groeber (Air Force Research Laboratory)
Digital Representation Environment for the Analysis of Microstructure in 3D (DREAM.3D): Who, What and Why (abstract | talk)
2:15 Subramanian Sankaranarayanan (CNM, Argonne National Laboratory)
Probing Structure-Functionality Relationship at the Mesoscale Using All-atom Molecular Dynamics Simulations (abstract | talk)
2:45 Josh Kacher (University of Illinois at Urbana-Champaign)
Progress and Development towards Four-dimensional Electron Microscopy for Defect
Characterization
(abstract | talk)
3:10 Break
  Session 4—Chair: Linda Young (Argonne National Laboratory)
3:40 Salman Habib (Argonne National Laboratory)
Inverting the Universe: How to Stuff a Supercomputer Inside a Laptop (abstract | talk)
4:10 Anton Barty (Center for Free-Electron Laser Science, Germany)
Processing the Deluge of Data from X-ray Free-electron Lasers (abstract | talk)
4:40 Siwei Wang (Argonne National Laboratory)
Discussion
5:30 Adjourn

Updated 12/03/13