Abstract
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 u