Abstract
LLM-empowered agent simulations are increasingly used to study social emergence, yet the micro-to-macro causal mechanisms behind macro outcomes often remain unclear. This is challenging because emergence arises from intertwined agent interactions and meso-level feedback and nonlinearity, making generative mechanisms hard to disentangle. To this end, we introduce \textbf{\textsc{CAMO}}, an automated \textbf{Ca}usal discovery framework from \textbf{M}icr\textbf{o} behaviors to \textbf{M}acr\textbf{o} Emergence in LLM agent simulations. \textsc{CAMO} converts mechanistic hypotheses into computable factors grounded in simulation records and learns a compact causal representation centered on an emergent target Y. \textsc{CAMO} outputs a computable Markov boundary and a minimal upstream explanatory subgraph, yielding interpretable causal chains and actionable intervention levers. It also uses simulator-internal counterfactual probing to orient ambiguous edges and revise hypotheses when evidence contradicts the current view. Experiments across four emergent settings demonstrate the promise of \textsc{CAMO}.
