Hierarchical Server Architecture for Agentic Science

Agentic AI is emerging in datacenters, but its architectural implications remain unexplored. We organize agentic workflows in a taxonomy and present its first architectural characterization with a production study at Microsoft Azure and a controlled study of open-source frameworks. We show that agentic execution is fragmented and heterogeneous. Requests expand into a workflow of LLM inferences, tool invocations, and orchestration decisions that repeatedly cross the CPU-GPU boundary. Our taxonomy explains how this fragmentation turns into resource demand. As orchestration and tools run on the host, the CPU sits on the critical path. Execution structure sets the load over time, which stays low with sudden spikes. Model composition sets how evenly the workflow uses the GPUs. Diversity in tasks and tools widens this range even further. These characteristics expose architectural mismatches of conventional uniform servers. Fragmented execution strands CPU and GPU capacity despite bursty demand. Different software roles make homogeneous CPU provisioning inefficient. Finally, multiplexing many agents onto shared cores degrades microarchitectural locality. Guided by our findings, we derive implications for agentic servers and examine them through Agora, our prototype for commodity servers. Agora dynamically harvests idle CPU cores for co-located throughput work, while protecting agentic tail latency against tool spikes. It oversubscribes GPU memory by placing more agents on each GPU, prefetching the next agent's state to hide swap latency. To match the machine to the heterogeneous roles, Agora pools cores by role and applies affinity-aware scheduling to restore locality. It automatically tunes mechanisms to the workload. Agora improves utilization and server throughput while preserving agent tail latency. Our insights also identify key directions for future server architectures for agentic AI.

Agentic systems deployed across the compute continuum need discovery mechanisms that remain effective across cloud, edge, and intermittently connected domains. In some emerging agentic architectures, decentralized discovery is already an active design direction, placing DHT-based lookup on the path toward agent directories. This paper studies the trade-offs among major structured-overlay families for agent discovery, comparing Chord, Pastry, and Kademlia as candidate indexing substrates within a shared control-plane framework. Using a benchmark subset centered on a 4096-node stationary comparison and a representative 4096-node churn benchmark, the paper characterizes how discovery reliability, startup behavior, and control-plane overhead vary across these overlays. The goal is to clarify the operating points they expose for agent discovery across edge-to-cloud environments.

Artificial intelligence has advanced scientific discovery, but most AI4Science systems remain fragmented tools that rely on humans to coordinate problem formulation, literature grounding, model use, simulation, validation, and knowledge reuse. This paper presents \textbf{SCION (Scientific Collaborative Innovation with Agentic Organizational Nexus)}, an agentic scientific operating system that acts as an \textbf{organizational nexus}. Through a Science Agent serving as a \textbf{Meta-Harness}, SCION connects scientific tasks, tools, agents, artifacts, and memory, transforming research into an executable, auditable, and reusable operational process. At its core is the \textbf{Research Execution Plan (REP)}, which compiles high-level scientific intent into staged objectives, dependencies, verification checkpoints, tool requirements, expected artifacts, and fallback conditions. SCION further integrates hierarchical multi-agent execution, profile-driven specialization, selective context construction, governed delegation, and layered epistemic memory to support long-horizon scientific work. We formulate discovery under SCION as \textbf{Target-conditioned Inverse Search} and extend it to hidden-target settings through batch active search under finite experimental budgets. Applications in materials analysis, molecule design, and protein or antibody screening, together with experiments on scientific reading, idea generation, molecule generation, and antibody screening, show that SCION outperforms existing autonomous research-agent baselines, especially in decomposition, verification, refinement, and memory reuse. Overall, SCION shifts AI from isolated tools toward a coordinated operational layer for traceable and reusable scientific innovation.