Where Is Uncertainty Observed? A Mechanistic Understanding of Uncertainty Quantification in LLMs

원문 초록

Knowing when a large language model's (LLM's) response can be trusted is critical for its safe use. Uncertainty quantification (UQ) can help LLMs recognize if their responses may be unreliable. Existing taxonomies organize UQ methods by uncertainty source or estimation mechanism. They leave unresolved the question of where uncertainty is observed in the model's computation. The answer matters because the observation point determines whether an estimator has access to enough information to recover a given target, and how well it can recover it. Drawing on mechanistic interpretability, we define four mechanistic observation lenses: the structural lens observes component updates, the representational lens observes hidden states, the distributional lens observes token probabilities, and the semantical lens observes distributions over meanings. We relate these lenses through the residual stream and order them by the information they carry, which gives a principle for selecting UQ methods for different targets. We survey existing methods through the four lenses. Furthermore, we distinguish evaluation targets, criteria, and metrics to clarify different UQ evaluation protocols. Finally, we identify open problems and research directions to connect uncertainty estimation to the internal computation and downstream use of LLMs.