# AgentSquare: Automatic LLM Agent Search in Modular Design Space

arXiv: https://arxiv.org/abs/2410.06153 · HTML: https://mlsanity.com/paper/2410.06153/

## Key facts

- Cited by 155 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 51 of its 71 references that are in the map.
- First posted on arXiv 8 Oct 2024.

## 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 51)

- [GPT-4 Technical Report](https://mlsanity.com/paper/2303.08774/) (2023)
- [LLaMA: Open and Efficient Foundation Language Models](https://mlsanity.com/paper/2302.13971/) (2023)
- [Chain-of-Thought Prompting Elicits Reasoning in Large Language Models](https://mlsanity.com/paper/2201.11903/) (2022)
- [Self-Consistency Improves Chain of Thought Reasoning in Language Models](https://mlsanity.com/paper/2203.11171/) (2022)
- [Reflexion: Language Agents with Verbal Reinforcement Learning](https://mlsanity.com/paper/2303.11366/) (2023)
- [Toolformer: Language Models Can Teach Themselves to Use Tools](https://mlsanity.com/paper/2302.04761/) (2023)
- [Generative Agents: Interactive Simulacra of Human Behavior](https://mlsanity.com/paper/2304.03442/) (2023)
- [Self-Refine: Iterative Refinement with Self-Feedback](https://mlsanity.com/paper/2303.17651/) (2023)
- [Tree of Thoughts: Deliberate Problem Solving with Large Language Models](https://mlsanity.com/paper/2305.10601/) (2023)
- [Do As I Can, Not As I Say: Grounding Language in Robotic Affordances](https://mlsanity.com/paper/2204.01691/) (2022)
- [Voyager: An Open-Ended Embodied Agent with Large Language Models](https://mlsanity.com/paper/2305.16291/) (2023)
- [WebGPT: Browser-assisted question-answering with human feedback](https://mlsanity.com/paper/2112.09332/) (2021)
- [WebShop: Towards Scalable Real-World Web Interaction with Grounded Language Agents](https://mlsanity.com/paper/2207.01206/) (2022)
- [ALFWorld: Aligning Text and Embodied Environments for Interactive Learning](https://mlsanity.com/paper/2010.03768/) (2020)
- [HuggingGPT: Solving AI Tasks with ChatGPT and its Friends in Hugging Face](https://mlsanity.com/paper/2303.17580/) (2023)
- [Inner Monologue: Embodied Reasoning through Planning with Language Models](https://mlsanity.com/paper/2207.05608/) (2022)
- [Language Models as Zero-Shot Planners: Extracting Actionable Knowledge for Embodied Agents](https://mlsanity.com/paper/2201.07207/) (2022)
- [ChatDev: Communicative Agents for Software Development](https://mlsanity.com/paper/2307.07924/) (2023)
- [Large Language Models as Optimizers](https://mlsanity.com/paper/2309.03409/) (2023)
- [Reasoning with Language Model is Planning with World Model](https://mlsanity.com/paper/2305.14992/) (2023)
- [AgentVerse: Facilitating Multi-Agent Collaboration and Exploring Emergent Behaviors](https://mlsanity.com/paper/2308.10848/) (2023)
- [Executable Code Actions Elicit Better LLM Agents](https://mlsanity.com/paper/2402.01030/) (2024)
- [Promptbreeder: Self-Referential Self-Improvement Via Prompt Evolution](https://mlsanity.com/paper/2309.16797/) (2023)
- [Cognitive Architectures for Language Agents](https://mlsanity.com/paper/2309.02427/) (2023)
- [Automated Design of Agentic Systems](https://mlsanity.com/paper/2408.08435/) (2024)
- [TravelPlanner: A Benchmark for Real-World Planning with Language Agents](https://mlsanity.com/paper/2402.01622/) (2024)
- [AgentBoard: An Analytical Evaluation Board of Multi-turn LLM Agents](https://mlsanity.com/paper/2401.13178/) (2024)
- [ScienceWorld: Is your Agent Smarter than a 5th Grader?](https://mlsanity.com/paper/2203.07540/) (2022)
- [Unleashing the Emergent Cognitive Synergy in Large Language Models: A Task-Solving Agent through Multi-Persona Self-Collaboration](https://mlsanity.com/paper/2307.05300/) (2023)
- [Agent Hospital: A Simulacrum of Hospital with Evolvable Medical Agents](https://mlsanity.com/paper/2405.02957/) (2024)

## Built on by (most cited first, 30 of 155)

- [Towards Large Reasoning Models: A Survey of Reinforced Reasoning with Large Language Models](https://mlsanity.com/paper/2501.09686/) (2025)
- [Multi-agent Architecture Search via Agentic Supernet](https://mlsanity.com/paper/2502.04180/) (2025)
- [A Comprehensive Survey in LLM(-Agent) Full Stack Safety: Data, Training and Deployment](https://mlsanity.com/paper/2504.15585/) (2025)
- [Multi-Agent Design: Optimizing Agents with Better Prompts and Topologies](https://mlsanity.com/paper/2502.02533/) (2025)
- [Seeing, Listening, Remembering, and Reasoning: A Multimodal Agent with Long-Term Memory](https://mlsanity.com/paper/2508.09736/) (2025)
- [AgentNet: Decentralized Evolutionary Coordination for LLM-based Multi-Agent Systems](https://mlsanity.com/paper/2504.00587/) (2025)
- [MasRouter: Learning to Route LLMs for Multi-Agent Systems](https://mlsanity.com/paper/2502.11133/) (2025)
- [SPA-Bench: A Comprehensive Benchmark for SmartPhone Agent Evaluation](https://mlsanity.com/paper/2410.15164/) (2024)
- [A Self-Improving Coding Agent](https://mlsanity.com/paper/2504.15228/) (2025)
- [Deep Research: A Survey of Autonomous Research Agents](https://mlsanity.com/paper/2508.12752/) (2025)
- [FlowReasoner: Reinforcing Query-Level Meta-Agents](https://mlsanity.com/paper/2504.15257/) (2025)
- [EvoFlow: Evolving Diverse Agentic Workflows On The Fly](https://mlsanity.com/paper/2502.07373/) (2025)
- [FLEX: Continuous Agent Evolution via Forward Learning from Experience](https://mlsanity.com/paper/2511.06449/) (2025)
- [Adaptive Graph Pruning for Multi-Agent Communication](https://mlsanity.com/paper/2506.02951/) (2025)
- [From Failed Trajectories to Reliable LLM Agents: Diagnosing and Repairing Harness Flaws](https://mlsanity.com/paper/2606.06324/) (2026)
- [MAS-ZERO: Designing Multi-Agent Systems with Zero Supervision](https://mlsanity.com/paper/2505.14996/) (2025)
- [Division-of-Thoughts: Harnessing Hybrid Language Model Synergy for Efficient On-Device Agents](https://mlsanity.com/paper/2502.04392/) (2025)
- [Graph-based Agent Memory: Taxonomy, Techniques, and Applications](https://mlsanity.com/paper/2602.05665/) (2026)
- [ReCreate: Reasoning and Creating Domain Agents Driven by Experience](https://mlsanity.com/paper/2601.11100/) (2026)
- [Heterogeneous Swarms: Jointly Optimizing Model Roles and Weights for Multi-LLM Systems](https://mlsanity.com/paper/2502.04510/) (2025)
- [AgentRecBench: Benchmarking LLM Agent-based Personalized Recommender Systems](https://mlsanity.com/paper/2505.19623/) (2025)
- [DyFlow: Dynamic Workflow Framework for Agentic Reasoning](https://mlsanity.com/paper/2509.26062/) (2025)
- [AutoSOTA: An End-to-End Automated Research System for State-of-the-Art AI Model Discovery](https://mlsanity.com/paper/2604.05550/) (2026)
- [HarnessForge: Joint Harness and Policy Evolution for Adaptive Agent Systems](https://mlsanity.com/paper/2606.01779/) (2026)
- [FingerTip 20K: A Benchmark for Proactive and Personalized Mobile LLM Agents](https://mlsanity.com/paper/2507.21071/) (2025)
- [RobustFlow: Towards Robust Agentic Workflow Generation](https://mlsanity.com/paper/2509.21834/) (2025)
- [Failure-Driven Workflow Refinement](https://mlsanity.com/paper/2510.10035/) (2025)
- [SwarmAgentic: Towards Fully Automated Agentic System Generation via Swarm Intelligence](https://mlsanity.com/paper/2506.15672/) (2025)
- [Learning to Deliberate: Meta-policy Collaboration for Agentic LLMs with Multi-agent Reinforcement Learning](https://mlsanity.com/paper/2509.03817/) (2025)
- [Auditing Multi-Agent LLM Reasoning Trees Outperforms Majority Vote and LLM-as-Judge](https://mlsanity.com/paper/2602.09341/) (2026)

## Abstract (arXiv)

Recent advancements in Large Language Models (LLMs) have led to a rapid growth of agentic systems capable of handling a wide range of complex tasks. However, current research largely relies on manual, task-specific design, limiting their adaptability to novel tasks. In this paper, we introduce a new research problem: Modularized LLM Agent Search (MoLAS). We propose a modular design space that abstracts existing LLM agent designs into four fundamental modules with uniform IO interface: Planning, Reasoning, Tool Use, and Memory. Building on this design space, we present a novel LLM agent search framework called AgentSquare, which introduces two core mechanisms, i.e., module evolution and recombination, to efficiently search for optimized LLM agents. To further accelerate the process, we design a performance predictor that uses in-context surrogate models to skip unpromising agent designs. Extensive experiments across six benchmarks, covering the diverse scenarios of web, embodied, tool use and game applications, show that AgentSquare substantially outperforms hand-crafted agents, achieving an average performance gain of 17.2% against best-known human designs. Moreover, AgentSquare can generate interpretable design insights, enabling a deeper understanding of agentic architecture and its impact on task performance. We believe that the modular design space and AgentSquare search framework offer a platform for fully exploiting the potential of prior successful designs and consolidating the collective efforts of research community. Code repo is available at https://github.com/tsinghua-fib-lab/AgentSquare.