Employing Artificial Intelligence to Steer Exascale Workflows with Colmena

Fuente: arXiv
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Main Authors: Ward, Logan, Pauloski, J. Gregory, Hayot-Sasson, Valerie, Babuji, Yadu, Brace, Alexander, Chard, Ryan, Chard, Kyle, Thakur, Rajeev, Foster, Ian
Format: Preprint
Published: 2024
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author Ward, Logan
Pauloski, J. Gregory
Hayot-Sasson, Valerie
Babuji, Yadu
Brace, Alexander
Chard, Ryan
Chard, Kyle
Thakur, Rajeev
Foster, Ian
author_facet Ward, Logan
Pauloski, J. Gregory
Hayot-Sasson, Valerie
Babuji, Yadu
Brace, Alexander
Chard, Ryan
Chard, Kyle
Thakur, Rajeev
Foster, Ian
contents Computational workflows are a common class of application on supercomputers, yet the loosely coupled and heterogeneous nature of workflows often fails to take full advantage of their capabilities. We created Colmena to leverage the massive parallelism of a supercomputer by using Artificial Intelligence (AI) to learn from and adapt a workflow as it executes. Colmena allows scientists to define how their application should respond to events (e.g., task completion) as a series of cooperative agents. In this paper, we describe the design of Colmena, the challenges we overcame while deploying applications on exascale systems, and the science workflows we have enhanced through interweaving AI. The scaling challenges we discuss include developing steering strategies that maximize node utilization, introducing data fabrics that reduce communication overhead of data-intensive tasks, and implementing workflow tasks that cache costly operations between invocations. These innovations coupled with a variety of application patterns accessible through our agent-based steering model have enabled science advances in chemistry, biophysics, and materials science using different types of AI. Our vision is that Colmena will spur creative solutions that harness AI across many domains of scientific computing.
format Preprint
id arxiv_https___arxiv_org_abs_2408_14434
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Employing Artificial Intelligence to Steer Exascale Workflows with Colmena
Ward, Logan
Pauloski, J. Gregory
Hayot-Sasson, Valerie
Babuji, Yadu
Brace, Alexander
Chard, Ryan
Chard, Kyle
Thakur, Rajeev
Foster, Ian
Distributed, Parallel, and Cluster Computing
Machine Learning
Computational workflows are a common class of application on supercomputers, yet the loosely coupled and heterogeneous nature of workflows often fails to take full advantage of their capabilities. We created Colmena to leverage the massive parallelism of a supercomputer by using Artificial Intelligence (AI) to learn from and adapt a workflow as it executes. Colmena allows scientists to define how their application should respond to events (e.g., task completion) as a series of cooperative agents. In this paper, we describe the design of Colmena, the challenges we overcame while deploying applications on exascale systems, and the science workflows we have enhanced through interweaving AI. The scaling challenges we discuss include developing steering strategies that maximize node utilization, introducing data fabrics that reduce communication overhead of data-intensive tasks, and implementing workflow tasks that cache costly operations between invocations. These innovations coupled with a variety of application patterns accessible through our agent-based steering model have enabled science advances in chemistry, biophysics, and materials science using different types of AI. Our vision is that Colmena will spur creative solutions that harness AI across many domains of scientific computing.
title Employing Artificial Intelligence to Steer Exascale Workflows with Colmena
topic Distributed, Parallel, and Cluster Computing
Machine Learning
url https://arxiv.org/abs/2408.14434