Confidence Calibration in Large Language Models

Accurate confidence estimation is critical for reliable use of large language models (LLMs). Prior work on LLM calibration largely focuses on response-level confidence, which estimates the correctness of a single generated output. However, this formulation is misaligned with many practical settings where the central question is how likely a model is to solve a query overall. We show that this mismatch results from the stochastic nature of modern LLM decoding, under which single-response correctness fails to reflect underlying model capability. To address this issue, we introduce capability calibration, a new evaluation framework for measuring how well query-level confidence aligns with a model's expected accuracy on individual queries. We formally distinguish capability calibration (CC) from response calibration (RC) and show that the two differ both theoretically and empirically. We further show that CC is better suited than RC to applications like pass@k prediction and inference budget allocation. Finally, we evaluate common confidence estimation methods to understand the practical feasibility of CC.

Prior work has shown that instruction-tuned large language models (LLMs) are less well calibrated than their base pre-trained counterparts. However, little is known about the frequently used chat template's effect on the calibration of conversational LLMs. In this work, we investigate the mechanisms driving this miscalibration by decoupling the effects of the post-training algorithm and the chat format. We find that, while instruction tuning fundamentally harms calibration, the chat template aggravates the issue through an "ownership bias" -- models are significantly more confident in their own answers than in identical answers provided by a user. Extensive experiments across six recent open-weight LLMs, three benchmarks, and three confidence elicitation methods show that models assign up to 26% higher confidence to their own responses. Leveraging this insight, we propose a simple inference-time strategy: framing the model's answer as user input during confidence elicitation. This approach significantly reduces overconfidence and improves calibration by up to 26% without the need for retraining, narrowing the gap between base and instruction-tuned models.

Calibration of language models -- the alignment between expressed or implicit confidence and empirical correctness -- is a well-studied subfield within NLP. Methods to measure it already exist. The problem is adoption: outside this subfield, NLP research regularly introduces new models, datasets, and benchmarks without checking whether the model's confidence scores are meaningful. We argue that this adoption gap is a major obstacle to trustworthy LLM evaluation. Miscalibration causes problems in two distinct areas: at deployment, where overconfident mistakes cause real harm, and inside the research pipeline, where methods like LLM-as-a-judge, synthetic data generation, and active learning rely on calibrated confidence without verifying it. Standard calibration metrics only require two inputs per example: a confidence score and a correctness judgment. Most benchmarks in use today already provide both, meaning calibration can be reported immediately. For open-ended generation, however, defining these two inputs is still an open challenge. We argue that each NLP subfield should pair its main performance metric with a calibration score and call for treating calibration as an essential property of every model rather than a niche topic.