LLMs and generative agent-based models for complex systems research

Abstract

The advent of Large Language Models (LLMs) offers to transform research across natural and social sciences, offering new paradigms for understanding complex systems. In particular, Generative Agent-Based Models (GABMs), which integrate LLMs to simulate human behavior, have attracted increasing public attention due to their potential to model complex interactions in a wide range of artificial environments. This paper briefly reviews the disruptive role LLMs are playing in fields such as network science, evolutionary game theory, social dynamics, and epidemic modeling. We assess recent advancements, including the use of LLMs for predicting social behavior, enhancing cooperation in game theory, and modeling disease propagation. The findings demonstrate that LLMs can reproduce human-like behaviors, such as fairness, cooperation, and social norm adherence, while also introducing unique advantages such as cost efficiency, scalability, and ethical simplification. However, the results reveal inconsistencies in their behavior tied to prompt sensitivity, hallucinations and even the model characteristics, pointing to challenges in controlling these AI-driven agents. Despite their potential, the effective integration of LLMs into decision-making processes —whether in government, societal, or individual contexts— requires addressing biases, prompt design challenges, and understanding the dynamics of human-machine interactions. Future research must refine these models, standardize methodologies, and explore the emergence of new cooperative behaviors as LLMs increasingly interact with humans and each other, potentially transforming how decisions are made across various systems.