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As large language models (LLMs) are increasingly integrated into high-stakes decision-making, the ability to reliably quantify uncertainty has become a critical requirement for safety and trust. However, current uncertainty quantification…

Artificial Intelligence · Computer Science 2026-05-28 Seongjun Lee , Suwan Yoon , Changhee Lee

Despite the outstanding performance of large language models (LLMs) across various NLP tasks, hallucinations in LLMs--where LLMs generate inaccurate responses--remains as a critical problem as it can be directly connected to a crisis of…

Computation and Language · Computer Science 2025-07-22 Minsuh Joo , Hyunsoo Cho

Quantifying uncertainty in large language models (LLMs) is important for safety-critical applications because it helps spot incorrect answers, known as hallucinations. One major trend of uncertainty quantification methods is based on…

Computation and Language · Computer Science 2025-10-07 Lucie Kunitomo-Jacquin , Edison Marrese-Taylor , Ken Fukuda

Large Language Models (LLMs) are employed across various high-stakes domains, where the reliability of their outputs is crucial. One commonly used method to assess the reliability of LLMs' responses is uncertainty estimation, which gauges…

In this paper, we study the problem of uncertainty estimation and calibration for LLMs. We begin by formulating the uncertainty estimation problem, a relevant yet underexplored area in existing literature. We then propose a supervised…

Machine Learning · Computer Science 2024-10-24 Linyu Liu , Yu Pan , Xiaocheng Li , Guanting Chen

Machine learning (ML) offers promising new approaches to tackle complex problems and has been increasingly adopted in chemical and materials sciences. Broadly speaking, ML models employ generic mathematical functions and attempt to learn…

Materials Science · Physics 2024-08-21 Jin Dai , Santosh Adhikari , Mingjian Wen

We present an automatic large language model (LLM) conversion approach that produces uncertainty-aware LLMs capable of estimating uncertainty with every prediction. Our approach is model- and data-agnostic, is computationally-efficient, and…

Large language models (LLMs) are notorious for hallucinating, i.e., producing erroneous claims in their output. Such hallucinations can be dangerous, as occasional factual inaccuracies in the generated text might be obscured by the rest of…

Advances in the general capabilities of large language models (LLMs) have led to their use for information retrieval, and as components in automated decision systems. A faithful representation of probabilistic reasoning in these models may…

Artificial Intelligence · Computer Science 2025-04-21 Gabriel Freedman , Francesca Toni

Large-language models (LLMs) and chatbot agents are known to provide wrong outputs at times, and it was recently found that this can never be fully prevented. Hence, uncertainty quantification plays a crucial role, aiming to quantify the…

Machine Learning · Computer Science 2025-05-29 Michael Kirchhof , Gjergji Kasneci , Enkelejda Kasneci

Despite the rapid advancement of Large Language Models (LLMs), uncertainty quantification in LLM generation is a persistent challenge. Although recent approaches have achieved strong performance by restricting LLMs to produce short or…

Computation and Language · Computer Science 2026-04-21 Haozhi Fan , Jinhao Duan , Kaidi Xu

Large language models (LLMs) exhibit strong generative capabilities but remain vulnerable to confabulations, fluent yet unreliable outputs that vary arbitrarily even under identical prompts. Leveraging a quantum tensor network based…

Computation and Language · Computer Science 2026-02-03 Pragatheeswaran Vipulanandan , Kamal Premaratne , Dilip Sarkar

Despite their capabilities, Multimodal Large Language Models (MLLMs) may produce plausible but erroneous outputs, hindering reliable deployment. Accurate uncertainty metrics could enable escalation of unreliable queries to human experts or…

Artificial Intelligence · Computer Science 2026-03-02 Gregory Kang Ruey Lau , Hieu Dao , Nicole Kan Hui Lin , Bryan Kian Hsiang Low

An interesting behavior in large language models (LLMs) is prompt sensitivity. When provided with different but semantically equivalent versions of the same prompt, models may produce very different distributions of answers. This suggests…

Computation and Language · Computer Science 2025-10-21 Kyle Cox , Jiawei Xu , Yikun Han , Rong Xu , Tianhao Li , Chi-Yang Hsu , Tianlong Chen , Walter Gerych , Ying Ding

We posit that large language models (LLMs) should be capable of expressing their intrinsic uncertainty in natural language. For example, if the LLM is equally likely to output two contradicting answers to the same question, then its…

Computation and Language · Computer Science 2024-09-27 Gal Yona , Roee Aharoni , Mor Geva

Large Language Models (LLMs) have become increasingly pervasive, finding applications across many industries and disciplines. Ensuring the trustworthiness of LLM outputs is paramount, where Uncertainty Estimation (UE) plays a key role. In…

Computation and Language · Computer Science 2025-11-06 Kevin Wang , Subre Abdoul Moktar , Jia Li , Kangshuo Li , Feng Chen

Accurately quantifying a large language model's (LLM) predictive uncertainty is crucial for judging the reliability of its answers. While most existing research focuses on short, directly answerable questions with closed-form outputs (e.g.,…

Computation and Language · Computer Science 2025-08-08 Yinghao Li , Rushi Qiang , Lama Moukheiber , Chao Zhang

The use of deep learning for medical imaging has seen tremendous growth in the research community. One reason for the slow uptake of these systems in the clinical setting is that they are complex, opaque and tend to fail silently. Outside…

Computer Vision and Pattern Recognition · Computer Science 2018-07-03 Terrance DeVries , Graham W. Taylor

Despite the growing demand for eliciting uncertainty from large language models (LLMs), empirical evidence suggests that LLM behavior is not always adequately captured by the elicitation techniques developed under the classical…

Artificial Intelligence · Computer Science 2026-03-12 Anita Yang , Krikamol Muandet , Michele Caprio , Siu Lun Chau , Masaki Adachi

Large Language Models (LLMs) are powerful linguistic engines but remain susceptible to hallucinations: plausible-sounding outputs that are factually incorrect or unsupported. In this work, we present a mathematically grounded framework to…

Computation and Language · Computer Science 2025-11-20 Moses Kiprono
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