Large Language Models (LLMs) have shown promise in simulating human behavior, yet existing agents often exhibit behavioral rigidity, a flaw frequently masked by the self-referential bias of current "LLM-as-a-judge" evaluations. By evaluating against empirical ground truth, we reveal a counter-intuitive phenomenon: increasing the intensity of prompt-driven reasoning does not enhance fidelity but rather exacerbates value polarization, collapsing population diversity. To address this, we propose the Context-Value-Action (CVA) architecture, grounded in the Stimulus-Organism-Response (S-O-R) model and Schwartz’s Theory of Basic Human Values. Unlike methods relying on self-verification, CVA decouples action generation from cognitive reasoning via a novel Value Verifier trained on authentic human data to explicitly model dynamic value activation. Experiments on CVABench, which comprises over 1.1 million real-world interaction traces, demonstrate that CVA significantly outperforms baselines. Our approach effectively mitigates polarization while offering superior behavioral fidelity and interpretability.

Values are core drivers of individual and collective perception, cognition, and behavior. Value systems, such as Schwartz’s Theory of Basic Human Values, delineate the hierarchy and interplay among these values, enabling cross-disciplinary investigations into decision-making and societal dynamics. Recently, the rise of Large Language Models (LLMs) has raised concerns regarding their elusive intrinsic values. Despite growing efforts in evaluating, understanding, and aligning LLM values, a psychologically grounded LLM value system remains underexplored. This study addresses the gap by introducing the Generative Psycho-Lexical Approach (GPLA), a scalable, adaptable, and theoretically informed method for constructing value systems. Leveraging GPLA, we propose a psychologically grounded five-factor value system tailored for LLMs. For systematic validation, we present three benchmarking tasks that integrate psychological principles with cutting-edge AI priorities. Our results reveal that the proposed value system meets standard psychological criteria, better captures LLM values, improves LLM safety prediction, and enhances LLM alignment, when compared to the canonical Schwartz’s values.