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October 13, 20250 citationsOpen Access

When an LLM is apprehensive about its answers -- and when its uncertainty is justified

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PSPetr SychevAGAndrey GoncharovDVDaniil Vyazhev

Key Points

  • Token-wise entropy serves as an effective predictor of model errors in knowledge-dependent domains.
  • Experiments involving three LLMs of varying sizes showed variance in accuracy across different domains, specifically a ROC AUC of 0.73 for biology.
  • Model-as-judge performs similarly to random predictors, highlighting the need for refinement in this uncertainty estimation method.
  • To achieve fair LLM assessments, the data uncertainty related to entropy should integrate reasoning requirements across subdomains.

Abstract

Uncertainty estimation is crucial for evaluating Large Language Models (LLMs), particularly in high-stakes domains where incorrect answers result in significant consequences. Numerous approaches consider this problem, while focusing on a specific type of uncertainty, ignoring others. We investigate what estimates, specifically token-wise entropy and model-as-judge (MASJ), would work for multiple-choice question-answering tasks for different question topics. Our experiments consider three LLMs: Phi-4, Mistral, and Qwen of different sizes from 1. 5B to 72B and 14 topics. While MASJ performs similarly to a random error predictor, the response entropy predicts model error in knowledge-dependent domains and serves as an effective indicator of question difficulty: for biology ROC AUC is 0. 73. This correlation vanishes for the reasoning-dependent domain: for math questions ROC-AUC is 0. 55. More principally, we found out that the entropy measure required a reasoning amount. Thus, data-uncertainty related entropy should be integrated within uncertainty estimates frameworks, while MASJ requires refinement. Moreover, existing MMLU-Pro samples are biased, and should balance required amount of reasoning for different subdomains to provide a more fair assessment of LLMs performance.

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Cite This Study

Sychev et al. (2025) studied this question.

synapsesocial.com/papers/68ece2abd1bb2827d1297344https://doi.org/10.48550/arxiv.2503.01688
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