# Computational Experiments Meet Large Language Model Based Agents: A Survey and Perspective

arXiv: https://arxiv.org/abs/2402.00262 · HTML: https://mlsanity.com/paper/2402.00262/

## Key facts

- Cited by 11 papers in the map (data through 14 Oct 2026).
- Placed in Social simulation and multi-agent debate, one of 16 directions in LLM agents and tool use.
- Builds on 103 of its 287 references that are in the map.
- First posted on arXiv 1 Feb 2024.

## Placed in

- LLM agents and tool use / [Social simulation and multi-agent debate](https://mlsanity.com/agents/social-simulation-and-multi-agent-debate/)

## Builds on (most cited first, 30 of 103)

- [BERT: Pre-training of Deep Bidirectional Transformers for Language Understanding](https://mlsanity.com/paper/1810.04805/) (2018)
- [Language Models are Few-Shot Learners](https://mlsanity.com/paper/2005.14165/) (2020)
- [GPT-4 Technical Report](https://mlsanity.com/paper/2303.08774/) (2023)
- [Training language models to follow instructions with human feedback](https://mlsanity.com/paper/2203.02155/) (2022)
- [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)
- [ReAct: Synergizing Reasoning and Acting in Language Models](https://mlsanity.com/paper/2210.03629/) (2022)
- [Measuring Massive Multitask Language Understanding](https://mlsanity.com/paper/2009.03300/) (2020)
- [PaLM: Scaling Language Modeling with Pathways](https://mlsanity.com/paper/2204.02311/) (2022)
- [Toolformer: Language Models Can Teach Themselves to Use Tools](https://mlsanity.com/paper/2302.04761/) (2023)
- [Finetuned Language Models Are Zero-Shot Learners](https://mlsanity.com/paper/2109.01652/) (2021)
- [Generative Agents: Interactive Simulacra of Human Behavior](https://mlsanity.com/paper/2304.03442/) (2023)
- [Tree of Thoughts: Deliberate Problem Solving with Large Language Models](https://mlsanity.com/paper/2305.10601/) (2023)
- [Constitutional AI: Harmlessness from AI Feedback](https://mlsanity.com/paper/2212.08073/) (2022)
- [Sparks of Artificial General Intelligence: Early experiments with GPT-4](https://mlsanity.com/paper/2303.12712/) (2023)
- [Emergent Abilities of Large Language Models](https://mlsanity.com/paper/2206.07682/) (2022)
- [A Survey on Large Language Model based Autonomous Agents](https://mlsanity.com/paper/2308.11432/) (2023)
- [Voyager: An Open-Ended Embodied Agent with Large Language Models](https://mlsanity.com/paper/2305.16291/) (2023)
- [AutoGen: Enabling Next-Gen LLM Applications via Multi-Agent Conversation](https://mlsanity.com/paper/2308.08155/) (2023)
- [MetaGPT: Meta Programming for A Multi-Agent Collaborative Framework](https://mlsanity.com/paper/2308.00352/) (2023)
- [Multitask Prompted Training Enables Zero-Shot Task Generalization](https://mlsanity.com/paper/2110.08207/) (2021)
- [Towards A Rigorous Science of Interpretable Machine Learning](https://mlsanity.com/paper/1702.08608/) (2017)
- [AgentBench: Evaluating LLMs as Agents](https://mlsanity.com/paper/2308.03688/) (2023)
- [What Makes Good In-Context Examples for GPT-3?](https://mlsanity.com/paper/2101.06804/) (2021)
- [Fantastically Ordered Prompts and Where to Find Them: Overcoming Few-Shot Prompt Order Sensitivity](https://mlsanity.com/paper/2104.08786/) (2021)
- [Self-Supervised Learning from Images with a Joint-Embedding Predictive Architecture](https://mlsanity.com/paper/2301.08243/) (2023)
- [A Multitask, Multilingual, Multimodal Evaluation of ChatGPT on Reasoning, Hallucination, and Interactivity](https://mlsanity.com/paper/2302.04023/) (2023)
- [A Comprehensive Survey of Continual Learning: Theory, Method and Application](https://mlsanity.com/paper/2302.00487/) (2023)
- [SelfCheckGPT: Zero-Resource Black-Box Hallucination Detection for Generative Large Language Models](https://mlsanity.com/paper/2303.08896/) (2023)
- [Out of One, Many: Using Language Models to Simulate Human Samples](https://mlsanity.com/paper/2209.06899/) (2022)

## Built on by (most cited first, 11 of 11)

- [Cut the Crap: An Economical Communication Pipeline for LLM-based Multi-Agent Systems](https://mlsanity.com/paper/2410.02506/) (2024)
- [A Survey of Context Engineering for Large Language Models](https://mlsanity.com/paper/2507.13334/) (2025)
- [G-Designer: Architecting Multi-agent Communication Topologies via Graph Neural Networks](https://mlsanity.com/paper/2410.11782/) (2024)
- [A Survey of Large Language Models for Financial Applications: Progress, Prospects and Challenges](https://mlsanity.com/paper/2406.11903/) (2024)
- [A Survey on Large Language Model-Based Social Agents in Game-Theoretic Scenarios](https://mlsanity.com/paper/2412.03920/) (2024)
- [Talk Structurally, Act Hierarchically: A Collaborative Framework for LLM Multi-Agent Systems](https://mlsanity.com/paper/2502.11098/) (2025)
- [LLM-Based Social Simulations Require a Boundary](https://mlsanity.com/paper/2506.19806/) (2025)
- [Efficient Leave-one-out Approximation in LLM Multi-agent Debate Based on Introspection](https://mlsanity.com/paper/2505.22192/) (2025)
- [Shall We Play a Game? Language Models for Open-ended Wargames](https://mlsanity.com/paper/2509.17192/) (2025)
- [What Makes LLM Agent Simulations Useful for Policy Practice? An Iterative Design Study in Emergency Preparedness](https://mlsanity.com/paper/2509.21868/) (2025)
- [CAMO: An Agentic Framework for Automated Causal Discovery from Micro Behaviors to Macro Emergence in LLM Agent Simulations](https://mlsanity.com/paper/2604.14691/) (2026)

## Abstract (arXiv)

Computational experiments have emerged as a valuable method for studying complex systems, involving the algorithmization of counterfactuals. However, accurately representing real social systems in Agent-based Modeling (ABM) is challenging due to the diverse and intricate characteristics of humans, including bounded rationality and heterogeneity. To address this limitation, the integration of Large Language Models (LLMs) has been proposed, enabling agents to possess anthropomorphic abilities such as complex reasoning and autonomous learning. These agents, known as LLM-based Agent, offer the potential to enhance the anthropomorphism lacking in ABM. Nonetheless, the absence of explicit explainability in LLMs significantly hinders their application in the social sciences. Conversely, computational experiments excel in providing causal analysis of individual behaviors and complex phenomena. Thus, combining computational experiments with LLM-based Agent holds substantial research potential. This paper aims to present a comprehensive exploration of this fusion. Primarily, it outlines the historical development of agent structures and their evolution into artificial societies, emphasizing their importance in computational experiments. Then it elucidates the advantages that computational experiments and LLM-based Agents offer each other, considering the perspectives of LLM-based Agent for computational experiments and vice versa. Finally, this paper addresses the challenges and future trends in this research domain, offering guidance for subsequent related studies.