AI Agents Alone Are Not (Yet) Sufficient for Social Simulation

Recent advances in large language models (LLMs) have spurred growing interest in using LLM-integrated agents for social simulation, often under the implicit assumption that realistic population dynamics will emerge once role-specified agents are placed in a networked multi-agent setting. This position paper argues that LLM-based agents alone are not (yet) sufficient for social simulation. We attribute this over-optimism to a systematic mismatch between what current agent pipelines are typically optimized and validated to produce and what simulation-as-science requires. Concretely, role-playing plausibility does not imply faithful human behavioral validity; collective outcomes are frequently mediated by agent-environment co-dynamics rather than agent-agent messaging alone; and results can be dominated by interaction protocols, scheduling, and initial information priors. To make these underlying mechanisms explicit and auditable, we propose a unified formulation of AI agent-based social simulation as an environment-involved Markov game with explicit exposure and scheduling mechanisms, from which we derive concrete actions for design, evaluation, and interpretation.