MiRD: Reliable Set-Valued Prediction for Open-Ended Question Answering via Miscoverage Risk Decomposition

Calibration measures whether a model's predicted confidence aligns with its empirical accuracy, and is central to the reliable deployment of large language models (LLMs) in high-stakes domains such as medicine and law. While much recent work focuses on improving LLM calibration, the equally important question of how to evaluate it in realistic settings remains underdeveloped. Open-ended question answering (QA), the most common deployment setting for modern LLMs, is where existing evaluation methods fall short: logit-based metrics need restricted output formats and internal probabilities; verbalized confidence is self-reported and often overconfident; and sampling-based methods rely on task-specific extraction rules without a clear finite-sample target. We introduce Sem-ECE (Semantic-Sampling Expected Calibration Error), a calibration evaluation framework for open-ended QA that samples answers from the model, groups them into semantic classes, and uses the resulting frequencies as confidence. We study two estimators within this framework: Sem$_1$-ECE, the same-sample self-consistency score, and Sem$_2$-ECE, a held-out variant that separates answer selection from confidence evaluation. We prove both are asymptotically unbiased, and further show that they agree on easy questions but diverge on hard ones with Sem$_2$ achieving strictly smaller calibration error, so their gap also serves as a diagnostic for question difficulty. Experiments on three open-ended QA benchmarks across five leading commercial LLMs match our theoretical predictions and show that Sem-ECE outperforms verbalized confidence and existing sampling-based methods, while complementing logit-based evaluation when internal probabilities are unavailable.

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.

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.