Hierarchical Server Architecture for Agentic Science

Abstract: Agentic science is transforming the landscape of computational work, extending to scientific pipelines and workload managers. The workloads require specialized hardware within and across institutions. If assessing workload needs against environments is required for scheduling, automated discovery of resources is an essential step. In this paper, we present a hierarchical, dynamic architecture and software to discover resources across diverse cloud, edge, and HPC systems. The design enables concurrent, asynchronous negotiation, selection, and dispatch of requests for work using secretary agents. The agents probe and discover 51 real and simulated providers across 7 categories. We perform 19,973 negotiation and 6,952 selection simulations to assess reliability of decisions, demonstrating high (87.71\%) negotiation accuracy and selection costs comparable to more traditional strategies. Designed for extensibility and currently supporting the Genesis Mission, this architecture exemplifies the importance of careful coordination between agents, discovery tools, and infrastructure for agentic science.