Adaptive Conformal Prediction for Improving Factuality of Generations by Large Language Models

Large language models (LLMs) need reliable test-time control of hallucinations. Existing conformal methods for LLMs typically provide only marginal guarantees and rely on a single global threshold, which can under-cover hard prompts, over-cover easy ones, and produce oversized prediction sets. We propose Conditional Factuality Control (CFC), a post-hoc conformal framework that returns set-valued outputs with conditional coverage guarantees. CFC defines a continuous, feature-conditional acceptance threshold through augmented quantile regression on a latent ``success'' score, and deploys it through a fixed-point threshold rule at inference time. Theoretically, we show that CFC satisfies a conditional coverage guarantee under exchangeability and analyze its efficiency, proving that, under mild assumptions on the score distributions, the conditional rule is strictly more sample-efficient than marginal conformal prediction at the same target coverage. We further derive a PAC-style variant, CFC-PAC, which shrinks the nominal risk level based on a stability bound, yielding a finite-sample certificate that the conditional miscoverage deviates from the target by at most $O(\sqrt{\log(1/δ)/N})$. Empirically, on synthetic data, real-world reasoning and QA benchmarks, and a Flickr8k VLM setting, CFC and CFC-PAC consistently attain near-target coverage across difficulty groups while using smaller prediction sets than CP and non-CP baselines.

Conformal prediction (CP) is a distribution-free framework for uncertainty quantification that has recently been adapted to large language models (LLMs), providing prediction sets with finite-sample coverage guarantees under exchangeability. Yet for LLMs, nonconformity scores are often induced by an inference pipeline, not just a fixed model, making them depend not only on the data distribution but also on configurable factors such as the prompt template, decoding parameters, and deployment setting. Since such configurations are routinely modified in practice but rarely treated as a source of shift, their impact on CP validity remains poorly understood. We call this configuration shift and study it systematically along three axes: prompt template, decoding temperature, and weight quantization. In a broad empirical study spanning $9$ LLMs, $4$ datasets, and $4$ nonconformity scores, we find that configuration shift consistently erodes CP validity, often driving empirical coverage below the target. By contrast, efficiency is largely preserved: valid prediction sets remain close in size to the i.i.d. baseline. We derive coverage lower bounds that attribute this loss to a discrepancy between calibration and test score distributions, and use their finite-sample plug-in versions as empirical diagnostics of shift severity. We further show that these findings lead to practical mitigations: bound-inspired recalibration is effective with limited test examples, while fragility-aware calibration ensembling recovers much of the lost coverage without test data.

Large language models are increasingly deployed in settings where reliability matters, yet output-level uncertainty signals such as token probabilities, entropy, and self-consistency can become brittle under calibration--deployment mismatch. Conformal prediction provides finite-sample validity under exchangeability, but its practical usefulness depends on the quality of the nonconformity score. We propose a conformal framework for LLM question answering that uses internal representations rather than output-facing statistics: specifically, we introduce Layer-Wise Information (LI) scores, which measure how conditioning on the input reshapes predictive entropy across model depth, and use them as nonconformity scores within a standard split conformal pipeline. Across closed-ended and open-domain QA benchmarks, with the clearest gains under cross-domain shift, our method achieves a better validity--efficiency trade-off than strong text-level baselines while maintaining competitive in-domain reliability at the same nominal risk level. These results suggest that internal representations can provide more informative conformal scores when surface-level uncertainty is unstable under distribution shift.