Abstract:Although psychometrics researchers have recently explored the use of large language models (LLMs) as proxies for human participants, LLMs often fail to generate heterogeneous data with human-like diversity, which diminishes their value in advancing social science research. To address these challenges, we explored the potential of the theory-informed Personality Structured Interview (PSI) as a tool for simulating human responses in personality research. In this approach, the simulation is grounded in nuanced real-human interview transcripts that target the personality construct of interest. We have provided a growing set of 357 structured interview transcripts from a representative sample, each containing an individual's response to 32 open-ended questions carefully designed to gather theory-based personality evidence. Additionally, grounded in psychometric research, we have summarized an evaluation framework to systematically validate LLM-generated psychometric data. Results from three experiments demonstrate that well-designed structured interviews could improve human-like heterogeneity in LLM-simulated personality data and predict personality-related behavioral outcomes (i.e., organizational citizenship behaviors and counterproductive work behavior). We further discuss the role of theory-informed structured interviews in LLM-based simulation and outline a general framework for designing structured interviews to simulate human-like data for psychometric research.