An interdisciplinary, interactive workshop on the challenges and opportunities in scientific computing, machine learning, and other aspects of data-intensive science at synchrotron facilities.
An interdisciplinary, interactive workshop on the challenges and opportunities in scientific computing, machine learning, and other aspects of data-intensive science at synchrotron facilities.
Remote via Zoom
Computing, Machine Learning, and Data-Intensive Science at Synchrotron Facilities
Research at synchrotron light sources hold transformational promise to address some of the most pressing scientific questions in society. They provide the unique ability to probe matter from atomic to mesoscopic length scales; enable experiments at physically-relevant conditions with respect to parameters such as temperature, chemical environment, mechanical loading, and so on; and can probe phenomena over time-scales spanning many orders of magnitude. While these capabilities have enabled scientific breakthroughs across multiple fields, recent dramatic improvements in x-ray source brightness and advances in detector technology have led to an explosion in sophisticated measurement techniques and raw data volumes, presenting technological and computational challenges as well as scientific opportunities.
To fully realize the promise of these facilities, we need new strategies for managing, interacting with, and extracting relevant physical information from increasingly large and complex datasets. This workshop will bring together experts in x-ray and domain science, machine learning, scientific computing, cyberinfrastructure, and data management to share knowledge and brainstorm ways to advance computational tools and infrastructure for data-intensive x-ray science.
Workshop goals:
Topical sessions:
(All times EDT) |
Tuesday, July 26th |
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11:00 AM | Organizing committee | Introduction: workshop goals, current initiatives, and charge to participants |
Session 1: On-the-fly data reduction and analysis Chairs: Kate Shanks, Rolf Verberg |
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11:30 AM | Angelo Dragone, SLAC | Toward intelligent ultra high-rate X-ray detectors at SLAC |
12:00 PM | Marianne Hromalik, SUNY Oswego | Real time low-level processing and data compression for X-ray detectors using FPGAs |
12:30 PM | Jana Thayer, SLAC | LCLS data analytics |
1:00 PM | Break | |
1:10 PM | Discussion | |
Session 2: Machine learning Chairs: Amlan Das, Suchismita Sarker |
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2:00 PM | Dan Olds, BNL | Digital research assistants - how artificial intelligence is transforming science at NSLS-II |
2:30 PM | Jason Hattrick-Simpers, University of Toronto | Using AI in high-throughput experiments to learn new science and detect unknowns unknowns |
3:00 PM | Auralee Edelen, SLAC | AI/ML for online tuning of particle accelerators |
3:30 PM | Break | |
3:40 PM | Discussion | |
4:15 PM | Idea slam | see list of talks below |
(All times EDT) |
Wednesday, July 27th |
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Session 3: Workflows, visualization, and systems for Big Data Chairs: Kelly Nygren, Werner Sun |
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11:00 AM | Ewa Deelman, University of Southern California | Enabling scientific workflows with Pegasus |
11:30 AM | Dan Allan, BNL | Tiled: Structured data access for data-intensive science |
12:00 PM | Chris Jones, Fermilab and Dan Riley, Cornell | Lessons from HEP data processing frameworks |
12:40 PM | Break | |
12:50 PM | Discussion | |
Session 4: Infrastructure, implementation, support, and data curation Chairs: Purnima Ghale, Keara Soloway |
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1:30 PM | Steffen Hauf, European XFEL | The Data Operation Center: supporting data challenges at EU.XFEL |
2:00 PM | Valentin Kuznetsov, Cornell | Meta-data management & machine learning as a service |
2:40 PM | Break | |
2:50 PM | Discussion and closeout |
Ideal Slam talks:
Presenter | Title |
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Arman Davtyan, European XFEL | Automation of data analysis pipelines @ EuXFEL: the serial crystallography use case |
David Elbert, Johns Hopkins University | OpenMSIStream: Streaming backbones for autonomous materials discovery |
Roger French, Case Western University | Application of distributed and high performance computing in 2D-high energy X-ray diffraction (2D-HEXRD) |
Amirhossein Kardoost, European XFEL | Computer vision and machine learning applications on sample detection |
Weijian Lin, Cornell University | Exploring machine learning techniques to improve accelerator operation efficiency |
Timothy Long, Johns Hopkins University | Towards high throughput, high-energy x-ray microstructure characterization in the laboratory |
Haris Habibullah, European XFEL | TBD |