Confidence Before Answering: A Paradigm Shift for Efficient LLM Uncertainty Estimation

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) often produce confident yet incorrect answers, which can lead to risky failures in real-world applications. We study whether post-training can make a model's self-assessment explicit: when the model is uncertain, can it be trained to signal so within its own response? A central design question is where in the response this signal should be exposed -- during reasoning, while the answer is still being formed, or at the end, once the answer has been produced. We study both. For end-of-reasoning self-assessment, we train the model to verbalize a confidence score for its response, with the aim of high confidence on correct answers and low confidence on incorrect ones. For during-reasoning self-assessment, we train the model to emit the marker <uncertain> whenever its current reasoning state appears unreliable. Across factual reasoning tasks, both forms sharply reduce overconfident errors while improving answer quality, and both can be used as triggers for retrieval augmented generation (RAG) to improve the final response. We further analyze their internal mechanisms: end-of-reasoning verbalized confidence sharpens a confidence-related structure already present in the pretrained model, whereas during-reasoning <uncertain> emission teaches the model to mark high-risk reasoning steps, with parameter changes concentrated in the model's late layers.

Uncertainty quantification (UQ) is essential for the safe deployment of large language models (LLMs). Existing methods, from verbalized confidence to ones requiring multiple generations, are often zero-shot and produce scores quantifying uncertainty without the need for labelled data. Nonetheless, in practice one must always evaluate their performance on a dataset of interest before deployment. In this work we show that, by leveraging this dataset, we consistently outperform these existing scores. Specifically, we build simple classifiers that predict LLM response correctness by using these scores and the correctness of similar queries as features. Our method produces minimal computational overhead, making it a cheap and straightforward enhancement for UQ in LLMs for real-world applications.