Beyond Cooperative Simulators: Generating Realistic User Personas for Robust Evaluation of LLM Agents

Large Language Model (LLM) agents are increasingly deployed in settings where they interact with a wide variety of people, including users who are unclear, impatient, or reluctant to share information. However, collecting real interaction data at scale remains expensive. The field has turned to LLM-based user simulators as stand-ins, but these simulators inherit the behavior of their underlying models: cooperative and homogeneous. Agents that appear strong in simulation often fail under the unseen, diverse communication patterns of real users. To narrow this gap, we introduce Persona Policies (PPol), a plug-and-play layer that induces realistic behavioral variation in user simulators while preserving original task goals. We cast persona generation as an LLM-driven evolutionary program search that optimizes a Python generator to discover behaviors and translate them into task-preserving roleplay policies. Candidate generators are guided by a multi-objective fitness score combining human-likeness with broad coverage of human behavioral patterns. Once optimized, the generator produces a diverse population of human-like personas for any task in the domain. Across τ²-bench retail and airline domains, evolved PPol programs yield 33–62% absolute gains in fitness score over the baseline simulator. In a blinded evaluation, annotators rated PPol-conditioned users as human 80.4% of the time, close to real human traces and nearly twice as frequently as baseline simulators. Agents trained with PPol are more robust to challenging, out-of-distribution behaviors, improving task success by +17% relative to agents trained only on existing simulated interactions. This offers a novel approach to strengthen simulator-based evaluation and training without changing tasks or rewards.