Embedding Semantic Entropy: NLI-Free Semantic Uncertainty Estimation with Geometry-Aware Clustering

LLMs' overconfidence, particularly when hallucinating, poses a significant challenge for the deployment of the models in safety-critical settings and makes a reliable estimation of uncertainty necessary. Existing approaches for uncertainty quantification typically prioritize lexical or probabilistic measures; however, these techniques often ignore the semantic variance of different responses with similar meaning. In this paper, we propose Adaptive Conformal Semantic Entropy (ACSE), a method for estimating prompt-level uncertainty by adaptively measuring semantic dispersion in LLMs outputs. Our uncertainty scoring function is based on clustering semantic entropy of multiple diverse responses to the same prompt. The function adaptively adjusts the uncertainty score based on semantic features of each cluster. To ensure statistical reliability of our score, we use conformal calibration to apply a decision rule to accept/abstain the prompts, providing a finite-sample, distribution-free guarantee such that the error rate among the accepted responses remains bounded by a user-specified tolerance. Our extensive experimental evaluations using different LLMs and datasets, demonstrate that our approach consistently outperforms state-of-the-art uncertainty quantification baselines using discriminative performance, conformal guarantees, and probabilistic calibration indicators. As a highlight, for TriviaQA dataset, AUROC of our approach is 0.88 compared to 0.65 produced by the token entropy approach.

Large language models (LLMs) have demonstrated remarkable capabilities across diverse tasks. However, the truthfulness of their outputs is not guaranteed, and their tendency toward overconfidence further limits reliability. Uncertainty quantification offers a promising way to identify potentially unreliable outputs, but most existing methods rely on repeated sampling or auxiliary models, introducing substantial computational overhead. To address these limitations, we propose Semantic Token Clustering (STC), an efficient uncertainty quantification method that leverages the semantic information inherently encoded in LLMs. Specifically, we group tokens into semantically consistent clusters using embedding clustering and prefix matching, and quantify uncertainty based on the probability mass aggregated over the corresponding semantic cluster. Our approach requires only a single generation and does not depend on auxiliary models. Experimental results show that STC achieves performance comparable to state-of-the-art baselines while substantially reducing computational overhead.

Semantic uncertainty quantification for large language models rests on a common template: sample several answers, measure how much they agree, and treat disagreement as uncertainty. We first formalize this template as two separate roles: an operator that compares two answers, and an aggregator that combines all pairwise comparisons into a scalar. Existing methods differ almost entirely in how they aggregate, while taking the operator off the shelf, typically an NLI model or a generic sentence encoder. We show that this reliance on off-the-shelf operators is the primary bottleneck of semantic UQ: they do not accurately measure factual equivalence of multiple answers to the same question. We resolve this with a deliberately simple recipe: a single encoder trained contrastively to isolate the targeted fact, utilizing synthetic data generated by an LLM and dataset both disjoint from all evaluation settings. Integrating the resulting operator into existing methods improves performance on 120 of 126 evaluation settings (95%) spanning 18 model dataset combinations across language and vision-language models. The best variant reaches 0.76 mean AUROC against 0.68 for the strongest baseline, while replacing the quadratic cross-encoder comparisons of entailment-based operators with one encoder pass per answer. The uniformity of the improvement supports the view that the operator, not the aggregator, is the limiting factor. The same operator also improves single generation token-level estimators: the norm it assigns to each token measures how much that token bears on the answer, and reweighting token log-likelihoods accordingly sharpens the estimate.