Sept. 10, 2021 — The Department of Energy (DOE) advanced Computational and Data Infrastructures (CDIs) – such as supercomputers, edge systems at experimental facilities, massive data storage, and high-speed networks – are brought to bear to solve the nation’s most pressing scientific problems, including assisting in astrophysics research, delivering new materials, designing new drugs, creating more efficient engines and turbines, and making more accurate and timely weather forecasts and climate change predictions.

Increasingly, computational science campaigns are leveraging distributed, heterogeneous scientific infrastructures that span multiple locations connected by high-performance networks, resulting in scientific data being pulled from instruments to computing, storage, and visualization facilities.

However, since these federated services infrastructures tend to be complex and managed by different organizations, domains, and communities, both the operators of the infrastructures and the scientists that use them have limited global visibility, which results in an incomplete understanding of the behavior of the entire set of resources that science workflows span.

“Although scientific workflow systems like Pegasus increase scientists’ productivity to a great extent by managing and orchestrating computational campaigns, the intricate nature of the CDIs, including resource heterogeneity and the deployment of complex system software stacks, pose several challenges in predicting the behavior of the science workflows and in steering them past system and application anomalies,” said Ewa Deelman, research professor of computer science and research director at the University of Southern California’s Information Sciences Institute and lead principal investigator (PI). “Our new project, Poseidon, will provide an integrated platform consisting of algorithms, methods, tools, and services that will help DOE facility operators and scientists to address these challenges and improve the overall end-to-end science workflow.”

Under a new DOE grant, Poseidon aims to advance the knowledge of how simulation and machine learning (ML) methodologies can be harnessed and amplified to improve the DOE’s computational and data science.

Research institutions collaborating on Poseidon include the University of Southern California, the Argonne National Laboratory, the Lawrence Berkeley National Laboratory, and the Renaissance Computing Institute…

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