# Multi-Agent Design: Optimizing Agents with Better Prompts and Topologies

arXiv: https://arxiv.org/abs/2502.02533 · HTML: https://mlsanity.com/paper/2502.02533/

## Key facts

- Cited by 113 papers in the map (data through 14 Oct 2026).
- Placed in General LLM agent frameworks and benchmarks, one of 16 directions in LLM agents and tool use.
- Builds on 64 of its 86 references that are in the map.
- First posted on arXiv 4 Feb 2025.

## Placed in

- LLM agents and tool use / [General LLM agent frameworks and benchmarks](https://mlsanity.com/agents/general-llm-agent-frameworks-and-benchmarks/)

## Builds on (most cited first, 30 of 64)

- [Training language models to follow instructions with human feedback](https://mlsanity.com/paper/2203.02155/) (2022)
- [Retrieval-Augmented Generation for Knowledge-Intensive NLP Tasks](https://mlsanity.com/paper/2005.11401/) (2020)
- [ReAct: Synergizing Reasoning and Acting in Language Models](https://mlsanity.com/paper/2210.03629/) (2022)
- [Evaluating Large Language Models Trained on Code](https://mlsanity.com/paper/2107.03374/) (2021)
- [Self-Consistency Improves Chain of Thought Reasoning in Language Models](https://mlsanity.com/paper/2203.11171/) (2022)
- [Measuring Mathematical Problem Solving With the MATH Dataset](https://mlsanity.com/paper/2103.03874/) (2021)
- [Large Language Models are Zero-Shot Reasoners](https://mlsanity.com/paper/2205.11916/) (2022)
- [Reflexion: Language Agents with Verbal Reinforcement Learning](https://mlsanity.com/paper/2303.11366/) (2023)
- [HotpotQA: A Dataset for Diverse, Explainable Multi-hop Question Answering](https://mlsanity.com/paper/1809.09600/) (2018)
- [Program Synthesis with Large Language Models](https://mlsanity.com/paper/2108.07732/) (2021)
- [Self-Refine: Iterative Refinement with Self-Feedback](https://mlsanity.com/paper/2303.17651/) (2023)
- [SWE-bench: Can Language Models Resolve Real-World GitHub Issues?](https://mlsanity.com/paper/2310.06770/) (2023)
- [Gemini 1.5: Unlocking multimodal understanding across millions of tokens of context](https://mlsanity.com/paper/2403.05530/) (2024)
- [LiveCodeBench: Holistic and Contamination Free Evaluation of Large Language Models for Code](https://mlsanity.com/paper/2403.07974/) (2024)
- [DARTS: Differentiable Architecture Search](https://mlsanity.com/paper/1806.09055/) (2018)
- [Improving Factuality and Reasoning in Language Models through Multiagent Debate](https://mlsanity.com/paper/2305.14325/) (2023)
- [LongBench: A Bilingual, Multitask Benchmark for Long Context Understanding](https://mlsanity.com/paper/2308.14508/) (2023)
- [Constructing A Multi-hop QA Dataset for Comprehensive Evaluation of Reasoning Steps](https://mlsanity.com/paper/2011.01060/) (2020)
- [Large Language Models Are Human-Level Prompt Engineers](https://mlsanity.com/paper/2211.01910/) (2022)
- [Encouraging Divergent Thinking in Large Language Models through Multi-Agent Debate](https://mlsanity.com/paper/2305.19118/) (2023)
- [Teaching Large Language Models to Self-Debug](https://mlsanity.com/paper/2304.05128/) (2023)
- [MuSiQue: Multihop Questions via Single-hop Question Composition](https://mlsanity.com/paper/2108.00573/) (2021)
- [DROP: A Reading Comprehension Benchmark Requiring Discrete Reasoning Over Paragraphs](https://mlsanity.com/paper/1903.00161/) (2019)
- [Large Language Models as Optimizers](https://mlsanity.com/paper/2309.03409/) (2023)
- [Automatic Prompt Optimization with "Gradient Descent" and Beam Search](https://mlsanity.com/paper/2305.03495/) (2023)
- [AgentVerse: Facilitating Multi-Agent Collaboration and Exploring Emergent Behaviors](https://mlsanity.com/paper/2308.10848/) (2023)
- [Mixture-of-Agents Enhances Large Language Model Capabilities](https://mlsanity.com/paper/2406.04692/) (2024)
- [AFlow: Automating Agentic Workflow Generation](https://mlsanity.com/paper/2410.10762/) (2024)
- [Agentless: Demystifying LLM-based Software Engineering Agents](https://mlsanity.com/paper/2407.01489/) (2024)
- [Automated Design of Agentic Systems](https://mlsanity.com/paper/2408.08435/) (2024)

## Built on by (most cited first, 30 of 113)

- [A Survey of Self-Evolving Agents: What, When, How, and Where to Evolve on the Path to Artificial Super Intelligence](https://mlsanity.com/paper/2507.21046/) (2025)
- [Advances and Challenges in Foundation Agents: From Brain-Inspired Intelligence to Evolutionary, Collaborative, and Safe Systems](https://mlsanity.com/paper/2504.01990/) (2025)
- [A Survey of Frontiers in LLM Reasoning: Inference Scaling, Learning to Reason, and Agentic Systems](https://mlsanity.com/paper/2504.09037/) (2025)
- [From Prompt Injections to Protocol Exploits: Threats in LLM-Powered AI Agents Workflows](https://mlsanity.com/paper/2506.23260/) (2025)
- [Assemble Your Crew: Automatic Multi-agent Communication Topology Design via Autoregressive Graph Generation](https://mlsanity.com/paper/2507.18224/) (2025)
- [A Survey of Agentic Reasoning for Large Language Models: Towards Recursively Self-Improving and Collective Agents](https://mlsanity.com/paper/2601.12538/) (2026)
- [A Survey on the Optimization of Large Language Model-based Agents](https://mlsanity.com/paper/2503.12434/) (2025)
- [EvoAgentX: An Automated Framework for Evolving Agentic Workflows](https://mlsanity.com/paper/2507.03616/) (2025)
- [Understanding the Information Propagation Effects of Communication Topologies in LLM-based Multi-Agent Systems](https://mlsanity.com/paper/2505.23352/) (2025)
- [EvoTest: Evolutionary Test-Time Learning for Self-Improving Agentic Systems](https://mlsanity.com/paper/2510.13220/) (2025)
- [What Prompts Don't Say: Understanding and Managing Underspecification in LLM Prompts](https://mlsanity.com/paper/2505.13360/) (2025)
- [MAS-Orchestra: Understanding and Improving Multi-Agent Reasoning Through Holistic Orchestration and Controlled Benchmarks](https://mlsanity.com/paper/2601.14652/) (2026)
- [Internet of Agents: Fundamentals, Applications, and Challenges](https://mlsanity.com/paper/2505.07176/) (2025)
- [Where Did It All Go Wrong? A Hierarchical Look into Multi-Agent Error Attribution](https://mlsanity.com/paper/2510.04886/) (2025)
- [Optimas: Optimizing Compound AI Systems with Globally Aligned Local Rewards](https://mlsanity.com/paper/2507.03041/) (2025)
- [From Static Templates to Dynamic Runtime Graphs: A Survey of Workflow Optimization for LLM Agents](https://mlsanity.com/paper/2603.22386/) (2026)
- [Rethinking the Value of Multi-Agent Workflow: A Strong Single Agent Baseline](https://mlsanity.com/paper/2601.12307/) (2026)
- [DeepWideSearch: Benchmarking Depth and Width in Agentic Information Seeking](https://mlsanity.com/paper/2510.20168/) (2025)
- [SEW: Self-Evolving Agentic Workflows for Automated Code Generation](https://mlsanity.com/paper/2505.18646/) (2025)
- [MAPRO: Recasting Multi-Agent Prompt Optimization as Maximum a Posteriori Inference](https://mlsanity.com/paper/2510.07475/) (2025)
- [MermaidFlow: Redefining Agentic Workflow Generation via Safety-Constrained Evolutionary Programming](https://mlsanity.com/paper/2505.22967/) (2025)
- [Effective Strategies for Asynchronous Software Engineering Agents](https://mlsanity.com/paper/2603.21489/) (2026)
- [LatentMem: Customizing Latent Memory for Multi-Agent Systems](https://mlsanity.com/paper/2602.03036/) (2026)
- [Graph-Augmented Large Language Model Agents: Current Progress and Future Prospects](https://mlsanity.com/paper/2507.21407/) (2025)
- [ReSkill: Reconciling Skill Creation with Policy Optimization in Agentic RL](https://mlsanity.com/paper/2606.01619/) (2026)
- [HarnessDev: Can LLMs Create and Evolve Their Own Agent Harness?](https://mlsanity.com/paper/2609.01437/) (2026)
- [Dynamic Generation of Multi-LLM Agents Communication Topologies with Graph Diffusion Models](https://mlsanity.com/paper/2510.07799/) (2025)
- [Recursive Multi-Agent Systems](https://mlsanity.com/paper/2604.25917/) (2026)
- [Maestro: Joint Graph & Config Optimization for Reliable AI Agents](https://mlsanity.com/paper/2509.04642/) (2025)
- [SkillGraph: Self-Evolving Multi-Agent Collaboration with Multimodal Graph Topology](https://mlsanity.com/paper/2604.17503/) (2026)

## Abstract (arXiv)

Large language models, employed as multiple agents that interact and collaborate with each other, have excelled at solving complex tasks. The agents are programmed with prompts that declare their functionality, along with the topologies that orchestrate interactions across agents. Designing prompts and topologies for multi-agent systems (MAS) is inherently complex. To automate the entire design process, we first conduct an in-depth analysis of the design space aiming to understand the factors behind building effective MAS. We reveal that prompts together with topologies play critical roles in enabling more effective MAS design. Based on the insights, we propose Multi-Agent System Search (MASS), a MAS optimization framework that efficiently exploits the complex MAS design space by interleaving its optimization stages, from local to global, from prompts to topologies, over three stages: 1) block-level (local) prompt optimization; 2) workflow topology optimization; 3) workflow-level (global) prompt optimization, where each stage is conditioned on the iteratively optimized prompts/topologies from former stages. We show that MASS-optimized multi-agent systems outperform a spectrum of existing alternatives by a substantial margin. Based on the MASS-found systems, we finally propose design principles behind building effective multi-agent systems.