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Large language models are increasingly relied upon as sources of information, but their propensity for generating false or misleading statements with high confidence poses risks for users and society. In this paper, we confront the critical…

Decoding strategies manipulate the probability distribution underlying the output of a language model and can therefore affect both generation quality and its uncertainty. In this study, we investigate the impact of decoding strategies on…

Computation and Language · Computer Science 2025-09-23 Wataru Hashimoto , Hidetaka Kamigaito , Taro Watanabe

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

Empowering large language models to accurately express confidence in their answers is essential for trustworthy decision-making. Previous confidence elicitation methods, which primarily rely on white-box access to internal model information…

Computation and Language · Computer Science 2024-03-19 Miao Xiong , Zhiyuan Hu , Xinyang Lu , Yifei Li , Jie Fu , Junxian He , Bryan Hooi

The Large language models (LLMs) have showcased superior capabilities in sophisticated tasks across various domains, stemming from basic question-answer (QA), they are nowadays used as decision assistants or explainers for unfamiliar…

Computation and Language · Computer Science 2024-07-09 Longchao Da , Tiejin Chen , Lu Cheng , Hua Wei

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…

This paper provides a tutorial about uncertainty quantification (UQ) for those who have no background but are interested in learning more in this area. It exploits many very simple examples, which are understandable to undergraduates, to…

Dynamical Systems · Mathematics 2025-10-07 Nan Chen , Stephen Wiggins , Marios Andreou

Uncertainty quantification (UQ) is important for reliability assessment and enhancement of machine learning models. In deep learning, uncertainties arise not only from data, but also from the training procedure that often injects…

Machine Learning · Statistics 2023-11-13 Ziyi Huang , Henry Lam , Haofeng Zhang

The practice of uncertainty quantification (UQ) validation, notably in machine learning for the physico-chemical sciences, rests on several graphical methods (scattering plots, calibration curves, reliability diagrams and confidence curves)…

Chemical Physics · Physics 2023-03-31 Pascal Pernot

Large language models (LLMs) have delivered significant breakthroughs across diverse domains but can still produce unreliable or misleading outputs, posing critical challenges for real-world applications. While many recent studies focus on…

Computation and Language · Computer Science 2025-09-08 Yang Nan , Pengfei He , Ravi Tandon , Han Xu

Despite the widespread application of Large Language Models (LLMs) across various domains, they frequently exhibit overconfidence when encountering uncertain scenarios, yet existing solutions primarily rely on evasive responses (e.g., "I…

Artificial Intelligence · Computer Science 2025-06-03 Jingyu Liu , Jingquan Peng , xiaopeng Wu , Xubin Li , Tiezheng Ge , Bo Zheng , Yong Liu

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

To enhance Large Language Models' (LLMs) reliability, calibration is essential -- the model's assessed confidence scores should align with the actual likelihood of its responses being correct. However, current confidence elicitation methods…

Computation and Language · Computer Science 2024-10-29 Yukun Huang , Yixin Liu , Raghuveer Thirukovalluru , Arman Cohan , Bhuwan Dhingra

Uncertainty quantification (UQ) in computational chemistry (CC) is still in its infancy. Very few CC methods are designed to provide a confidence level on their predictions, and most users still rely improperly on the mean absolute error as…

Chemical Physics · Physics 2022-03-21 Pascal Pernot

Large Language Models (LLMs) are known to hallucinate and generate non-factual outputs which can undermine user trust. Traditional methods to directly mitigate hallucinations, such as representation editing and contrastive decoding, often…

Machine Learning · Computer Science 2025-03-11 Prasenjit Dey , Srujana Merugu , Sivaramakrishnan Kaveri

Large Language Models (LLMs) are increasingly being explored across a range of reasoning tasks. However, LLMs sometimes struggle with reasoning tasks under uncertainty that are relatively easy for humans, such as planning actions in…

Artificial Intelligence · Computer Science 2025-11-06 Ziwei Deng , Mian Deng , Chenjing Liang , Zeming Gao , Chennan Ma , Chenxing Lin , Haipeng Zhang , Songzhu Mei , Siqi Shen , Cheng Wang

Concept Bottleneck Models (CBMs) provide inherent interpretability by first mapping input samples to high-level semantic concepts, followed by a combination of these concepts for the final classification. However, the annotation of…

Machine Learning · Computer Science 2026-03-02 Yangyi Li , Mengdi Huai

To facilitate healthcare delivery, language models (LMs) have significant potential for clinical prediction tasks using electronic health records (EHRs). However, in these high-stakes applications, unreliable decisions can result in high…

Computation and Language · Computer Science 2024-11-07 Zizhang Chen , Peizhao Li , Xiaomeng Dong , Pengyu Hong

Recently, Knowledge Graphs (KGs) have been successfully coupled with Large Language Models (LLMs) to mitigate their hallucinations and enhance their reasoning capability, such as in KG-based retrieval-augmented frameworks. However, current…

Artificial Intelligence · Computer Science 2024-10-22 Bo Ni , Yu Wang , Lu Cheng , Erik Blasch , Tyler Derr

Problem-solving has been a fundamental driver of human progress in numerous domains. With advancements in artificial intelligence, Large Language Models (LLMs) have emerged as powerful tools capable of tackling complex problems across…

Machine Learning · Computer Science 2025-05-07 Da Zheng , Lun Du , Junwei Su , Yuchen Tian , Yuqi Zhu , Jintian Zhang , Lanning Wei , Ningyu Zhang , Huajun Chen