Empowering Scientific Workflows with Federated Agents (2505.05428v2)

Abstract: Agentic systems, in which diverse agents cooperate to tackle challenging problems, are exploding in popularity in the AI community. However, the agentic frameworks used to build these systems have not previously enabled use with research cyberinfrastructure. Here we introduce Academy, a modular and extensible middleware designed to deploy autonomous agents across the federated research ecosystem, including HPC systems, experimental facilities, and data repositories. To meet the demands of scientific computing, Academy supports asynchronous execution, heterogeneous resources, high-throughput data flows, and dynamic resource availability. It provides abstractions for expressing stateful agents, managing inter-agent coordination, and integrating computation with experimental control. We present microbenchmark results that demonstrate high performance and scalability in HPC environments. To demonstrate the breadth of applications that can be supported by agentic workflow designs, we also present case studies in materials discovery, decentralized learning, and information extraction in which agents are deployed across diverse HPC systems.