Multi-Agent Strategic Games with LLMs

It is increasingly important that LLM agents interact effectively and safely with other goal-pursuing agents, yet, recent works report the opposite trend: LLMs with stronger reasoning capabilities behave less cooperatively in mixed-motive games such as the prisoner's dilemma and public goods settings. Indeed, our experiments show that recent models -- with or without reasoning enabled -- consistently defect in single-shot social dilemmas. To tackle this safety concern, we present the first comparative study of game-theoretic mechanisms designed to enable cooperative outcomes between rational agents in equilibrium. Across four social dilemmas testing distinct components of robust cooperation, we evaluate four families of mechanisms: (1) repeating the game for many rounds, (2) reputation systems, (3) third-party mediators to delegate decision making to, and (4) contract agreements for outcome-conditional payments between players. Among our findings, we establish that contracting and mediation are most effective in achieving cooperative outcomes between capable LLM models, and that repetition-induced cooperation deteriorates drastically when co-players vary. Moreover, we demonstrate that the mechanisms become more effective under evolutionary pressures to maximize individual payoffs.

Large language models (LLMs) are increasingly tasked with strategic decision-making under incomplete information, such as in negotiation and policymaking. While LLMs can excel at many such tasks, they also fail in ways that are poorly understood. We shed light on these failures by uncovering two fundamental gaps in the internal mechanisms underlying the decision-making of LLMs in incomplete-information games, supported by experiments with open-weight models Llama 3.1, Qwen3, and gpt-oss. First, an observation-belief gap: LLMs encode internal beliefs about latent game states that are substantially more accurate than their own verbal reports, yet these beliefs are brittle. In particular, the belief accuracy degrades with multi-hop reasoning, exhibits primacy and recency biases, and drifts away from Bayesian coherence over extended interactions. Second, a belief-action gap: The implicit conversion of internal beliefs into actions is weaker than that of the beliefs externalized in the prompt, yet neither belief-conditioning consistently achieves higher game payoffs. These results show how analyzing LLMs' internal processes can expose systematic vulnerabilities that warrant caution before deploying LLMs in strategic domains without robust guardrails.

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.