Provable Limits and Certified Deferral for Verbalized Uncertainty in Small Language Models

Large language models (LLMs) often produce answers with high certainty even when they are incorrect, making reliable confidence estimation essential for deployment in real-world scenarios. Verbalized confidence, where models explicitly state their confidence in natural language, provides a flexible and user-facing uncertainty signal that can be applied even when token logits are unavailable. However, existing verbalized-confidence methods often optimize answer generation and confidence generation jointly, which can cause confidence-alignment objectives to interfere with answer accuracy. In this work, we propose a decoupled and order-aware framework for verbalized confidence calibration. Our method first generates an answer and then estimates confidence conditioned on the fixed question--answer pair, allowing confidence optimization without directly perturbing the answer-generation process. To align confidence with correctness likelihood, we construct a sampling-based surrogate from multiple model completions and optimize rank-based reinforcement learning objectives that encourage responses with higher estimated correctness likelihood to receive higher verbalized confidence. Experiments on reasoning and knowledge-intensive benchmarks show that our method improves calibration and failure prediction performance while largely preserving answer accuracy. These results demonstrate that verbalized confidence can be more reliably aligned by decoupling confidence estimation from answer generation and optimizing the relative ordering of confidence across responses.

Reasoning language models are increasingly asked not only to answer difficult questions, but also to estimate their likelihood of success. Existing methods typically elicit confidence only once: either before thinking or after answering. We argue that confidence in reasoning models is state-dependent: before thinking, confidence should estimate the chance of the model correctly solving the prompt, while after thinking it should predict whether the realized answer is likely to be correct. This distinction determines the appropriate supervision target: prompt-level success should supervise confidence estimates made after seeing the prompt, while individual answer-level correctness should supervise confidence estimates made after answering. We introduce CALIBER (Calibration Before and After Reasoning), which elicits both estimates and supervises each with the target matched to its information state. Under this unified protocol, CALIBER reduces Expected Calibration Error (ECE) by 52.5% over the strongest single-confidence baseline on BigMathDigits for the 7B model, while achieving the best Brier score and AUROC, and remains within 2.1 points of the best accuracy. Further, on a larger 30B model, CALIBER achieves the best ECE on BigMathDigits while remaining competitive in Brier score and AUROC. Out of distribution, it achieves the best ECE and Brier score on GPQA and TriviaQA, and remains competitive on SimpleQA. Ablations further show that this position-target alignment is most beneficial under distribution shift where it consistently reduces calibration error across all out-of-distribution benchmarks.

The ability of large language models (LLMs) to express calibrated uncertainty is important for safe deployment. Chain-of-thought (CoT) reasoning is widely used to improve accuracy and reliability, but its effect on calibration is not fully understood. We show that this picture is incomplete: in some settings, increasing the reasoning budget beyond a task-specific threshold can cause models to become systematically overconfident, assigning high confidence to incorrect answers. We call this phenomenon Calibration Drift Under Reasoning (CDUR) and study it both theoretically and empirically. We define reasoning budget B and analyze conditions under which Expected Calibration Error ECE(B) follows a non-monotonic pattern: it first decreases as reasoning corrects errors, then increases as longer reasoning produces internally consistent but incorrect explanations. We propose a Hypothesis Lock-In model based on autoregressive generation to explain this behavior. We evaluate Llama-3.1-8B and Llama-3.3-70B on 47 reasoning-trap questions across four reasoning budgets and three seeds (1,368 API calls; 574 valid responses). The 8B model shows non-monotonic calibration behavior, while results for the 70B model are limited to baseline evaluation and are inconclusive for budget-dependent effects. We introduce CABStop, a calibration-aware stopping rule that halts reasoning when confidence diverges from an auxiliary accuracy estimate. These results suggest that increasing reasoning depth does not always improve reliability and should be monitored carefully.