Large language models (LLMs) are increasingly used as agents in simulations of social systems, yet it remains unclear when their behavior can be interpreted as a faithful proxy for human decision-making. Here we test LLM agents against a direct empirical benchmark: a large-scale networked Prisoner's Dilemma experiment with human participants. Using the same interaction protocol, payoff structure, and network topologies, we compare nine open-weight LLMs with the human data. The selected model reproduces several macro-level features of cooperation dynamics, including the early decline and later stabilization of cooperation. This aggregate agreement, however, does not extend uniformly to finer levels of behavior. LLM populations underestimate individual-level heterogeneity and generate conditional cooperation patterns that differ from those observed in humans. Adding a fraction of random agents improves some aspects of micro-level agreement, but does not remove the mismatch in decision rules. These findings reveal a macro--micro dissociation in LLM-based social agents: collective outcomes can appear human-like even when the underlying behavioral distributions and mechanisms are not. They suggest that validating LLM agents as human surrogates requires comparisons across aggregate dynamics, individual heterogeneity, and context-dependent decision rules, rather than outcome-level agreement alone.
Large language models (LLMs) are increasingly deployed as decision-making agents in high-stakes domains and as imitators of human behavior in the social and behavioral sciences. Yet how closely LLMs mirror human decision-making remains poorly understood. This gap is critical: misalignment could produce harmful outcomes in practice, while failure to replicate human behavior renders LLMs ineffective as social simulators. Here, we address this gap by replicating large-scale game-theoretic experiments and by introducing a systematic prompting and probing framework for machine-behavioral evaluation. We test three open models typically used to power agents (Llama, Mistral, and Qwen). Across 121 dyadic games spanning four classical game types, Llama reproduces human cooperation patterns with high fidelity, while Qwen aligns closely with Nash equilibrium predictions. Characterizing models through behavioral phenotyping, we find that humans and Llama share an envious decision profile, while Qwen and Mistral exhibit different profiles. An attention-based analysis of payoff salience reveals Llama processes payoff information in a structured, layer-dependent manner absent in Qwen and Mistral, suggesting a mechanistic basis for its closer alignment with human behavior. Population-level behavioral replication is achieved without persona-based prompting, simplifying the simulation process. Extending the experimental parameter space beyond the original human-tested games, we generate and preregister testable hypotheses for novel game configurations. Our findings demonstrate appropriately configured LLMs can replicate aggregate human behavioral patterns, exhibit human-like decision phenotypes, and enable systematic exploration of unexplored experimental spaces, offering a complementary approach to traditional behavioral research that generates new empirical predictions about human social decision-making.
Andrea Cera Palatsi, Samuel Martin-Gutierrez, Ana S. Cardenal +1
As LLM-based agents with user-instructed goals are becoming widely deployed, they increasingly encounter each other in strategic interactions, and face challenges of finding mutually beneficial outcomes. Prior literature has argued that cooperation problems such as the Prisoner's Dilemma are resolvable in settings where agents know they follow very similar decision making patterns, as for example in monocultural AI ecosystems. Following that line of work, this paper introduces the first framework for evaluating LLM decision making when agents are provided with graded similarity signals. Among our findings, we establish that different LLM models vary drastically in how they navigate similarity signals, with some modern models showing consistent behavior across cooperation problems, payoff structures, and prompt framing. Perhaps surprisingly, our experiments also show that the dataset based on which the similarity signal is computed has small to no impact on induced cooperation, and that LLM models systematically self-identify as highly similar when asked to evaluate another model's chain-of-thought reasoning by themselves. Finally, we develop an LLM-behavioral-game-theoretic model that captures some of their reasoning rationale, and show that it can support cooperative outcomes in equilibrium under sufficiently high similarity scores.
LLM-powered AI assistants acting on behalf of users can produce poor collective outcomes at scale. We introduce a framework for evaluating their emergent behaviour in social dilemmas, applied to three iterated games (Public Goods, Collective Risk, Common Pool Resource). We prompt each model to produce a natural-language strategy, then have the same model translate it into code. This aims to isolate strategic reasoning from input-parsing, enables pre-deployment inspection, and scales to populations of hundreds of agents. We propose three analyses: behavioural fingerprinting via exhaustive evaluation over opponent histories; self-play robustness across mixtures of a model's strategies with either a Selfish or Collective disposition; and cultural evolution under payoff-biased imitation. Applied to three state-of-the-art LLMs, we find substantial cross-model differences in self-play welfare, and that cultural evolution converges to low-welfare, Selfish-dominant equilibria in larger groups.