MASPO: Joint Prompt Optimization for LLM-based Multi-Agent Systems

Multi-agent systems (MAS) offer a scalable path forward for agentic AI, comprising multiple LLM-based agents, each assigned a system prompt and a position within a workflow that governs inter-agent coordination and output aggregation. System prompts thus form a critical and accessible optimization surface: they specify agents' roles and behaviors, enabling system-level improvements without model finetuning. Although prompt optimization has shown substantial potential for single LLMs, extending it to MAS poses distinct challenges, notably an exponentially growing search space. It remains unclear whether, when, and by how much prompt optimization improves MAS performance, and how sensitive such gains are to system configuration. In this work, we systematically study system-prompt optimization across a broad range of MAS setups varying in task, workflow, communication protocol, and team size, benchmarking two prompt optimizers that naturally extend state-of-the-art single-agent methods. The results reveal its potential to unlock significant gains while exposing open challenges, characterizing when and how much prompt optimization helps across diverse MAS settings.

While Multi-Agent Systems (MAS) empower Large Language Models to tackle complex reasoning tasks through collaborative interaction, optimizing their dynamics remains a formidable challenge due to the discrete, non-differentiable nature of the computation graph and the sparsity of global supervisory signals. Existing black-box optimizers struggle to attribute trajectory-level failure to specific local components, resulting in inefficient, high-variance exploration. We argue that tractable MAS optimization needs structural inductive biases to disentangle error signals. We propose temporal and structural credit assignment, which decomposes the objective along two axes: (i) temporal credit, using state-space bottlenecks to identify critical rounds, and (ii) structural credit, using stationary role policies to isolate agent contributions. Leveraging these decomposed signals, we introduce a discrete, verbalized block coordinate descent algorithm for iterative refinement. Rather than indiscriminate global updates, it alternates between optimizing role prompts and aggregation protocols, using LLM-generated "proxy gradients" to target only the identified weak links. Across diverse reasoning benchmarks, our approach substantially reduces query complexity while improving performance, providing a principled and interpretable path toward self-improving MAS.

Large language model (LLM)-based multi-agent systems (MAS) achieve strong performance by employing specialized multiple agents, yet their performance depends on the prompt design of each agent. For MAS prompt optimization, textual gradient methods that guide prompt updates using natural-language feedback have emerged as a leading paradigm. In this paper, we identify limitations in two stages of existing textual gradient approaches: gradient extraction and gradient aggregation. In gradient extraction, previous works select a target prompt without verifying whether modifying it resolves the failure, and derive gradients without agent-level supervision over the corresponding agent's intermediate output. In gradient aggregation, individual gradients are randomly grouped and concatenated, often mixing unrelated failure modes and producing prompts that fail to generalize. To address these limitations, we propose \textbf{AgentGrad}, a prompt optimization framework for multi-agent systems based on sequential intervention and semantic textual gradient abstraction. For each failure, sequential intervention modifies the behavior of one agent at a time to identify the target agent whose modification resolves the failure. The modified output of the target agent then serves as agent-level supervision for extracting a fine-grained gradient. Semantic textual gradient abstraction clusters semantically similar gradients to prevent mixing unrelated failure modes, and abstracts each cluster into a generalized gradient that captures the shared corrective pattern. Experimental results show that AgentGrad achieves state-of-the-art performance across five MAS benchmarks and reduces wall-clock optimization time by $2.5\times$ on average compared to the next-fastest baseline.