Neighborhood Elites: Quality-Diversity Search for Uncertainty Quantification in Question Answering

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.

Large language models (LLMs) are increasingly deployed in question answering (QA) systems, yet they may generate hallucinated or misaligned responses without reliable confidence estimates. Uncertainty quantification (UQ) offers a natural basis for selective answering, where a system answers only when its prediction is deemed reliable and abstains otherwise. However, existing uncertainty scores for LLMs are often heuristic: a threshold chosen on such scores does not, by itself, provide statistical guarantees on the error rate among accepted answers. We propose CIC, a confidence-interval-based calibration framework that converts arbitrary uncertainty scores into risk-controlled selective answering rules. Given a held-out calibration set, CIC evaluates each generated response using an application-specific alignment criterion and associates it with an uncertainty score and a binary error label. For each candidate uncertainty threshold, CIC estimates the acceptance-conditioned error rate and constructs a high-probability upper confidence bound using either Hoeffding-style or Clopper-Pearson confidence intervals. It then selects the largest threshold whose upper bound is below a user-specified risk level $α$, thereby maximizing the answering rate subject to a finite-sample reliability constraint. Under exchangeability, CIC guarantees with probability at least $1-δ$ that the selected threshold, if non-null, controls the error rate among accepted answers at level $α$. We evaluate CIC on both closed-ended and open-ended QA benchmarks across seven LLMs and multiple uncertainty estimators. Experimental results show that CIC consistently achieves valid risk control while retaining strong answering efficiency, providing a practical and statistically grounded mechanism for deploying LLMs in reliability-sensitive QA workflows.

Large language models (LLMs) may generate fluent but incorrect answers, making uncertainty quantification important for reliable question answering. However, heuristic uncertainty scores cannot perfectly distinguish correct predictions from incorrect ones, and directly applying a fixed uncertainty threshold provides no statistical control over the error rate among accepted answers. To address this limitation, we propose A-CRC-QA, a post-hoc calibration framework for uncertainty-aware selective question answering. The proposed method reformulates selection-conditioned error control as a linear expectation constraint and applies a monotonized empirical-risk calibration procedure inspired by conformal risk control. Since the resulting instance-wise loss is generally non-monotone with respect to the acceptance threshold, our framework targets asymptotic rather than finite-sample risk control. A-CRC-QA is model-agnostic, requires no additional training, and can be combined with different uncertainty estimators. Experiments on CoQA and MedMCQA demonstrate its applicability to both open-ended and closed-ended question answering, achieving a favorable trade-off between accepted-answer reliability and answer retention compared with uncalibrated and confidence-bound-based baselines.