A Survey of Uncertainty Estimation in LLMs: Theory Meets Practice

Abstract: As LLMs continue to evolve, understanding and quantifying the uncertainty in their predictions is critical for enhancing application credibility. However, the existing literature relevant to LLM uncertainty estimation often relies on heuristic approaches, lacking systematic classification of the methods. In this survey, we clarify the definitions of uncertainty and confidence, highlighting their distinctions and implications for model predictions. On this basis, we integrate theoretical perspectives, including Bayesian inference, information theory, and ensemble strategies, to categorize various classes of uncertainty estimation methods derived from heuristic approaches. Additionally, we address challenges that arise when applying these methods to LLMs. We also explore techniques for incorporating uncertainty into diverse applications, including out-of-distribution detection, data annotation, and question clarification. Our review provides insights into uncertainty estimation from both definitional and theoretical angles, contributing to a comprehensive understanding of this critical aspect in LLMs. We aim to inspire the development of more reliable and effective uncertainty estimation approaches for LLMs in real-world scenarios.