Large Language Models Are Overconfident in Their Own Responses
Authors: Mario Sanz-Guerrero, Manuel Mager, Katharina von der Wense
Organizations: ∇Johannes Gutenberg University Mainz, Germany · ♠University of Colorado Boulder, USA
Abstract
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.
Large language models often express high confidence in answers that are wrong. Standard calibration remedies typically act globally or at the score level, reducing unwarranted confidence but also risking erosion of warranted confidence on correct answers. We introduce Probe-Conditioned Head Intervention (PCHI), an inference-time method that uses a frozen probe to detect likely wrong-but-confident responses and conditionally rescales downstream attention-head outputs during confidence generation. On Qwen3-4B-Instruct solving OpenMathInstruct problems with a structured binary confidence field, readout-token PCHI converts 82.2% of originally wrong-yes confidence readouts to no, while a joint intervention across upstream confidence-template tokens reduces ECE from 21.9% to 9.2% and damages only 5.1% of originally correct-yes readouts. The readout-token effect also appears on Gemma3-4B, though upstream interventions are weaker and more mask-dependent. These results show that verbalized overconfidence can be selectively reduced through conditionally applied internal intervention, partially decoupling the suppression of unwarranted confidence from the loss of warranted confidence.
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.
Large language models (LLMs) often produce incorrect answers with high confidence, yet the factors associated with such overconfidence remain insufficiently understood. We study this problem through the lens of knowledge popularity. Using entity-centric factual QA derived from Wikidata triplets, we characterize popularity through question entity popularity, answer popularity, and question-answer co-occurrence. We find two consistent patterns. First, hallucinated answers are far from random: compared with ground-truth answers, they tend to be more popular or more frequently associated with the question entity. Second, confidence is strongly tied to the popularity of generated answers: even among incorrect predictions, more popular answers or those with higher question-answer co-occurrence receive higher confidence. Together, these findings suggest that popular but wrong alternatives may contribute to overconfidence. We further show that popularity-related signals can mitigate overconfidence and improve overall confidence estimation. Across six models and three datasets, incorporating knowledge popularity reduces average confidence on incorrect answers from 0.765 to 0.254 and overall ECE from 0.356 to 0.050, while improving Alignment from 77.08% to 83.72%.