From Static Templates to Dynamic Runtime Graphs: A Survey of Workflow Optimization for LLM Agents

Large Language Model (LLM)-based agents demonstrate strong reasoning and execution capabilities on complex tasks when guided by structured instructions, commonly referred to as workflows. However, existing workflow-assisted agent serving systems typically rely on predefined templates and shallow matching mechanisms, which limit their ability to capture deep semantic relationships and generalize to previously unseen tasks. To address these limitations, we propose a new workflow management paradigm that represents workflows using a unified graph, termed wGraph, where each node corresponds to an atomic operation. wGraph serves as a shared substrate from which task-specific workflows are dynamically instantiated. Building on wGraph primitives, we introduce GraphFlow, a system that efficiently integrates workflows into agent serving through two key designs. First, adaptive workflow generation dynamically constructs workflows from wGraph based on task semantics and constraint requirements. Second, workflow state management exploits wGraph structure to efficiently manage Key-Value (KV) caches, reducing redundant computation during agent serving. Extensive experiments across five benchmark datasets show that GraphFlow consistently outperforms state-of-the-art methods, yielding an average performance improvement of approximately 4.95 percentage points, while achieving an approximately 4$\times$ reduction in memory footprint.

Structured LLM workflows, where specialized LLM sub-agents execute according to a predefined graph, have become a powerful abstraction for solving complex tasks. Optimizing such workflows, i.e., selecting configurations for each sub-agent to balance accuracy and latency, is challenging due to the combinatorial design space over model choices, reasoning budgets, and workflow structures. Existing cost-aware methods largely treat workflow optimization as a routing problem, selecting a configuration at inference time for each query according to the accuracy-latency objective used during training. We argue that structured LLM workflows can also be optimized from a compilation perspective: before deployment, the system can globally explore the workflow design space and construct a reusable set of workflow-level configurations spanning diverse accuracy-latency trade-offs. Drawing inspiration from machine learning compilers, we introduce FlowCompile, a structured LLM workflow compiler that performs compile-time design space exploration to identify a high-quality, reusable trade-off set. FlowCompile decomposes a workflow into sub-agents, profiles each sub-agent under diverse configurations, and composes these measurements through a structure-aware proxy to estimate workflow-level accuracy and latency. It then identifies diverse high-quality configurations in a single compile-time pass, without retraining or online adaptation. Experiments across diverse workflows and challenging benchmarks show that FlowCompile consistently outperforms heuristically optimized workflow configurations and routing-based baselines, delivering up to 6.4x speedup. The compiled configuration set further serves as a reusable optimization artifact, enabling flexible deployment under varying runtime preferences and supporting downstream selection or routing.

Large Language Model (LLM) agents have demonstrated remarkable capabilities in tackling complex tasks through agentic workflows. However, manually designing these workflows is labor-intensive and lacks flexibility to adapt to diverse queries. While automated workflow optimization is a promising direction, existing methods often incur expensive API costs during training-phase feedback collection. Furthermore, they fail to adaptively reuse high-quality workflows, which creates a bottleneck for both performance and cost-effectiveness. To address these limitations, we propose CB-Orchestrator, an adaptive framework that decouples workflow generation from selection. In the first stage, we construct a diverse pool of candidate workflows via evolutionary search. In the second stage, we formulate workflow selection as a Contextual Bandit problem, which enables sample-efficient learning by balancing exploration and exploitation, thereby significantly reducing the feedback required for training. During inference, the model adaptively selects the optimal workflow tailored to each query. Evaluations across five diverse benchmarks demonstrate that CB-Orchestrator consistently outperforms all baselines. Notably, on the MATH dataset, CB-Orchestrator achieves better performance than strong recent baselines while reducing training-phase API token overhead by no less than 40.55% and total end-to-end training (including workflow pool generation) token overhead by no less than 29.73%.