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Large language models (LLMs) often generate fluent but factually incorrect outputs, known as hallucinations, which undermine their reliability in real-world applications. While uncertainty estimation has emerged as a promising strategy for…

Machine Learning · Computer Science 2025-05-13 Pei-Fu Guo , Yun-Da Tsai , Shou-De Lin

As Large Language Models (LLMs) are increasingly deployed in real-world applications, reliable uncertainty quantification (UQ) becomes critical for safe and effective use. Most existing UQ approaches for language models aim to produce a…

Computation and Language · Computer Science 2026-04-14 Maiya Goloburda , Roman Vashurin , Fedor Chernogorsky , Nurkhan Laiyk , Daniil Orel , Preslav Nakov , Maxim Panov

Uncertainty decomposition refers to the task of decomposing the total uncertainty of a predictive model into aleatoric (data) uncertainty, resulting from inherent randomness in the data-generating process, and epistemic (model) uncertainty,…

Computation and Language · Computer Science 2024-06-12 Bairu Hou , Yujian Liu , Kaizhi Qian , Jacob Andreas , Shiyu Chang , Yang Zhang

In many high-risk machine learning applications it is essential for a model to indicate when it is uncertain about a prediction. While large language models (LLMs) can reach and even surpass human-level accuracy on a variety of benchmarks,…

Computation and Language · Computer Science 2024-06-06 Evan Becker , Stefano Soatto

Large Language Models (LLMs) have gained significant popularity in recent years for their ability to answer questions in various fields. However, these models have a tendency to "hallucinate" their responses, making it challenging to…

Computation and Language · Computer Science 2024-11-25 Elizaveta Reganova , Peter Steinbach

Uncertainty quantification approaches have been more critical in large language models (LLMs), particularly high-risk applications requiring reliable outputs. However, traditional methods for uncertainty quantification, such as…

Artificial Intelligence · Computer Science 2024-07-01 Ferhat Ozgur Catak , Murat Kuzlu

Large Language Models (LLMs) are commonly used in Question Answering (QA) settings, increasingly in the natural sciences if not science at large. Reliable Uncertainty Quantification (UQ) is critical for the trustworthy uptake of generated…

Computation and Language · Computer Science 2026-02-03 Philip Müller , Nicholas Popovič , Michael Färber , Peter Steinbach

Uncertainty quantification in Large Language Models (LLMs) is crucial for applications where safety and reliability are important. In particular, uncertainty can be used to improve the trustworthiness of LLMs by detecting factually…

Machine Learning · Computer Science 2024-05-31 Alexander Nikitin , Jannik Kossen , Yarin Gal , Pekka Marttinen

Language Models (LMs) have shown promising performance in natural language generation. However, as LMs often generate incorrect or hallucinated responses, it is crucial to correctly quantify their uncertainty in responding to given inputs.…

Computation and Language · Computer Science 2024-09-17 Xinmeng Huang , Shuo Li , Mengxin Yu , Matteo Sesia , Hamed Hassani , Insup Lee , Osbert Bastani , Edgar Dobriban

The generation of texts using Large Language Models (LLMs) is inherently uncertain, with sources of uncertainty being not only the generation of texts, but also the prompt used and the downstream interpretation. Within this work, we provide…

Machine Learning · Computer Science 2026-03-30 Steffen Herbold , Florian Lemmerich

Reliable uncertainty quantification is a first step towards building explainable, transparent, and accountable artificial intelligent systems. Recent progress in Bayesian deep learning has made such quantification realizable. In this paper,…

Computation and Language · Computer Science 2018-11-20 Yijun Xiao , William Yang Wang

As large language models continue to be widely developed, robust uncertainty quantification techniques will become crucial for their safe deployment in high-stakes scenarios. In this work, we explore how conformal prediction can be used to…

Computation and Language · Computer Science 2023-07-11 Bhawesh Kumar , Charlie Lu , Gauri Gupta , Anil Palepu , David Bellamy , Ramesh Raskar , Andrew Beam

This paper investigates the capabilities of Large Language Models (LLMs) in the context of understanding their knowledge and uncertainty over questions. Specifically, we focus on addressing known-unknown questions, characterized by high…

Computation and Language · Computer Science 2024-07-03 Alfonso Amayuelas , Kyle Wong , Liangming Pan , Wenhu Chen , William Wang

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

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

The rapid proliferation of large language models (LLMs) has stimulated researchers to seek effective and efficient approaches to deal with LLM hallucinations and low-quality outputs. Uncertainty quantification (UQ) is a key element of…

The recent performance leap of Large Language Models (LLMs) opens up new opportunities across numerous industrial applications and domains. However, erroneous generations, such as false predictions, misinformation, and hallucination made by…

Software Engineering · Computer Science 2025-01-07 Yuheng Huang , Jiayang Song , Zhijie Wang , Shengming Zhao , Huaming Chen , Felix Juefei-Xu , Lei Ma

Estimating uncertainty in Large Language Models (LLMs) is important for properly evaluating LLMs, and ensuring safety for users. However, prior approaches to uncertainty estimation focus on the final answer in generated text, ignoring…

Computation and Language · Computer Science 2024-12-12 Eric Bigelow , Ari Holtzman , Hidenori Tanaka , Tomer Ullman

Can large language models (LLMs) express their uncertainty in situations where they lack sufficient parametric knowledge to generate reasonable responses? This work aims to systematically investigate LLMs' behaviors in such situations,…

Computation and Language · Computer Science 2024-02-19 Genglin Liu , Xingyao Wang , Lifan Yuan , Yangyi Chen , Hao Peng

While past works have shown how uncertainty quantification can be applied to large language model (LLM) outputs, the question of whether resulting uncertainty guarantees still hold within sub-groupings of data remains open. In our work,…

Computation and Language · Computer Science 2025-06-13 Terrance Liu , Zhiwei Steven Wu