Efficient Agent Evaluation via Diversity-Guided User Simulation

Using offline datasets to evaluate conversational agents often fails to cover rare scenarios or to support testing new policies. This has motivated the use of controllable user simulators for targeted, counterfactual evaluation, typically implemented by prompting or fine-tuning large language models. In this work, we formalize controllable simulation as a causal inference problem. By bridging natural language evaluation with off-policy evaluation methodology, we show that the standard practice of training simulators via supervised fine-tuning on post-hoc trajectory labels yields a structurally biased model. Specifically, these labels are inextricably coupled to the data-generating behavior policy, injecting a look-ahead bias that breaks causal consistency. Furthermore, we prove that under policy shift this failure causes the variance of evaluation metrics to explode geometrically, a phenomenon we term controllability collapse. To restore causal consistency, we establish theoretical conditions for accurate simulation and propose practical training mitigations: a priori controls, step-wise dynamic controls, and direct policy-conditioned learning. Empirical evaluation confirms that while standard global controls distort conversational distributions and collapse behavioral diversity, our causally grounded simulators eliminate look-ahead bias, preserve natural variance, and exhibit robust zero-shot generalization to unseen agent behaviors.

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. As a result, 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 control layer that induces realistic behavioral variation in user simulators while preserving the original task goals. Rather than hand-crafting personas, 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 tau^2-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 training only on existing simulated interactions. This offers a novel approach to strengthen simulator-based evaluation and training without changing tasks or rewards.

Evaluating LLM agents in realistic service scenarios requires complex task dependencies, imperfect user behavior, and an evaluation that accommodates multiple valid solutions. We introduce CRAB-Bench (Constraint-based Realistic Agent Benchmark) and RUSE (Realistic User Simulation Engine) to address this gap. CRAB-Bench generates tasks via a constraint graph over multiple interdependent entities with structured distractors, requiring agents to reason carefully over thousands of misleading candidates where only a tiny fraction of solutions are valid. RUSE replaces cooperative, template-like simulators with realistic users grounded in human behavioral studies, instantiated across diverse personas and four behavioral dimensions. Experiments on four frontier LLM agents show that the best model achieves only 61% pass@1 on CRAB-Bench, and switching to RUSE causes further drops of up to 57%, concentrated in task-solving ability rather than conversational quality. Information Disclosure is the most damaging behavioral dimension, and agents interacting with RUSE are less likely to admit mistakes, instead masking errors through implicit corrections.