Sudip Seal | Kalyan Perumalla

COVID-relevant Scalable Computational Research Directions and Tools

Thu, 09 Apr 2020 00:00:00 +0000

This seminar conveys some directions and technical ideas being pursued by the Discrete Computing Systems Group of the Computer Science and Mathematics Division, in collaboration with others at the lab. Some of the scalable computational tools ready for applying to challenging computational problems are presented. Actual working codes ready for customization to COVID-related efforts are described, which are built for scaling to supercomputing platforms such as Summit.

Topics that are covered include:

A high resolution simulator, ExaCorona, that scales from laptops to leadership class supercomputers, is outlined that uses a discrete event model of virus spread, with probabilistically timed state transitions at the individual level across millions of individuals represented with arbitray geography and mobility characteristics.
A clonable simulation framework, CloneX, is introduced that enables millions of “what-if” scenarios to be executed rapidly on thousands of GPUs of Summit and similar supercomputers. An SEIR-based epidemiological model is outlined for numerous what-if simulations of disease spread that can be executed for country-scale populations like India’s, with ‘what-if’ scenarios, each varying in the outbreak points (hotspots), quarantines, vaccinations and hospitalizations.
A machine learning pipeline for the prediction of material structure properties directly from their neutron scattering profiles (development as part of the ExaLearn ECP co-design project). A brief overview of this system is provided, which is being applied for studies of new therapeutic targets and viral protein-structure-assisted drug design studies related to the COVID outbreak.
Network science methods are outlined for detecting information cascades in time varying large-scale social communication networks. We discuss its implications for detecting occurrence/response or epidemic related events from Twitter and similar global interaction systems.

Improved Parallelization of the SIESTA Magneto-hydrodynamic Equilibrium Code Using Cyclic Reduction

Tue, 01 Jan 2013 00:00:00 +0000

[Pub 141]

http://www.aps.org/meetings/meeting.cfm?name=DPP13

Revisiting Cyclic Reduction and Parallel Prefix-Based Algorithms for Tri-diagonal Systems of Equations

Tue, 01 Jan 2013 00:00:00 +0000

[Pub 117]

http://www.sciencedirect.com/science/article/pii/S0743731512002535

Discrete Event Modeling and Massively Parallel Execution of Epidemic Outbreak Phenomena

Sun, 01 Jan 2012 00:00:00 +0000

[Pub 115]

http://sim.sagepub.com/content/88/7/768

Scaling Optimization of the SIESTA MHD Code

Sun, 01 Jan 2012 00:00:00 +0000

[Pub 142]

http://www.aps.org/meetings/meeting.cfm?name=DPP12

Scaling the SIESTA Magnetohydrodynamics Equilibrium Code

Sun, 01 Jan 2012 00:00:00 +0000

[Pub 116]

http://onlinelibrary.wiley.com/doi/10.1002/cpe.2919/abstract

Towards Highly Interactive, GPU-based Evaluation of Evacuation Transport Scenarios at State-Scale

Sun, 01 Jan 2012 00:00:00 +0000

[Pub 111]

http://sim.sagepub.com/content/88/6/746

Improved Parallelization of the SIESTA Magneto-hydrodynamic Equilibrium Code Using Cyclic Reduction

Sat, 01 Jan 2011 00:00:00 +0000

[Pub 128]

http://www.aps.org/meetings/meeting.cfm?name=DPP11

Reversible Parallel Discrete Event Formulation of a TLM-based Radio Signal Propagation Model

Sat, 01 Jan 2011 00:00:00 +0000

[Pub 110]

http://dl.acm.org/citation.cfm?id=2043639

Efficient Simulation of Agent-Based Models on Multi-GPU and Multi-Core Clusters

Fri, 01 Jan 2010 00:00:00 +0000

[Pub 109]

http://www.simutools.org

Reversible Parallel Discrete-Event Execution of Large-scale Epidemic Outbreak Models

Fri, 01 Jan 2010 00:00:00 +0000

[Pub 108]

http://www.pads-workshop.org/pads2010.html

Towards Highly Interactive, GPU-based Evaluation of Evacuation Transport Scenarios at State-Scale

Fri, 01 Jan 2010 00:00:00 +0000

[Pub 106]

http://www.nationalevacuationconference.org

GPU-based Real-Time Execution of Vehicular Mobility Models in Large-Scale Road Network Scenarios

Thu, 01 Jan 2009 00:00:00 +0000

[Pub 100]

Scalable Parallel Execution of an Event-based Radio Signal Propagation Model for Cluttered 3D Terrains

Thu, 01 Jan 2009 00:00:00 +0000

[Pub 22]

Scalable Parallel Execution of an Event-based Radio Signal Propagation Model for Cluttered 3D Terrains

Thu, 01 Jan 2009 00:00:00 +0000

[Pub 104]

http://www.osti.gov/bridge