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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

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

We introduce BSDetector, a method for detecting bad and speculative answers from a pretrained Large Language Model by estimating a numeric confidence score for any output it generated. Our uncertainty quantification technique works for any…

Computation and Language · Computer Science 2023-10-05 Jiuhai Chen , Jonas Mueller

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

Despite recent progress in systematic evaluation frameworks, benchmarking the uncertainty of large language models (LLMs) remains a highly challenging task. Existing methods for benchmarking the uncertainty of LLMs face three key…

Computation and Language · Computer Science 2025-06-05 Xunzhi Wang , Zhuowei Zhang , Gaonan Chen , Qiongyu Li , Bitong Luo , Zhixin Han , Haotian Wang , Zhiyu li , Hang Gao , Mengting Hu

The ability to replicate predictions by machine learning (ML) or artificial intelligence (AI) models and results in scientific workflows that incorporate such ML/AI predictions is driven by numerous factors. An uncertainty-aware metric that…

Machine Learning · Computer Science 2023-08-28 Line Pouchard , Kristofer G. Reyes , Francis J. Alexander , Byung-Jun Yoon

Large Language Models (LLMs) are prone to hallucination, particularly in long-form generations. A promising direction to mitigate hallucination is to teach LLMs to express uncertainty explicitly when they lack sufficient knowledge. However,…

Computation and Language · Computer Science 2025-10-10 Ruihan Yang , Caiqi Zhang , Zhisong Zhang , Xinting Huang , Dong Yu , Nigel Collier , Deqing Yang

Recent advancements in Large Language Models (LLMs) have significantly improved text generation capabilities, but these systems are still known to hallucinate, and granular uncertainty estimation for long-form LLM generations remains…

Computation and Language · Computer Science 2024-10-29 Mingjian Jiang , Yangjun Ruan , Prasanna Sattigeri , Salim Roukos , Tatsunori Hashimoto

Uncertainty quantification (UQ) is essential for assessing the reliability of Earth observation (EO) products. However, the extensive use of machine learning models in EO introduces an additional layer of complexity, as those models…

Machine Learning · Computer Science 2024-12-10 Yuanyuan Wang , Qian Song , Dawood Wasif , Muhammad Shahzad , Christoph Koller , Jonathan Bamber , Xiao Xiang Zhu

In this work, we explore uncertainty estimation as a proxy for correctness in LLM-generated code. To this end, we adapt two state-of-the-art techniques from natural language generation -- one based on entropy and another on mutual…

Software Engineering · Computer Science 2025-07-02 Arindam Sharma , Cristina David

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

Most uncertainty quantification (UQ) approaches provide a single scalar value as a measure of model reliability. However, different uncertainty measures could provide complementary information on the prediction confidence. Even measures…

We explore uncertainty quantification in large language models (LLMs), with the goal to identify when uncertainty in responses given a query is large. We simultaneously consider both epistemic and aleatoric uncertainties, where the former…

Machine Learning · Computer Science 2024-07-18 Yasin Abbasi Yadkori , Ilja Kuzborskij , András György , Csaba Szepesvári

We present a comparison of methods for uncertainty quantification (UQ) in deep learning algorithms in the context of a simple physical system. Three of the most common uncertainty quantification methods - Bayesian Neural Networks (BNN),…

Machine Learning · Computer Science 2020-12-08 João Caldeira , Brian Nord

The advance of Large Language Models (LLMs) has greatly stimulated research interest in developing multi-modal LLM (MLLM)-based visual anomaly detection (VAD) algorithms that can be deployed in complex environments. The challenge is that in…

Machine Learning · Computer Science 2026-03-04 Congjing Zhang , Feng Lin , Xinyi Zhao , Pei Guo , Wei Li , Lin Chen , Chaoyue Zhao , Shuai Huang

The rapid advancement of large language models (LLMs) has intensified the need for effective mechanisms to transform continuous multimodal data into discrete representations suitable for language-based processing. Discrete tokenization,…

Computation and Language · Computer Science 2025-08-01 Jindong Li , Yali Fu , Jiahong Liu , Linxiao Cao , Wei Ji , Menglin Yang , Irwin King , Ming-Hsuan Yang

Large language models (LLMs) have demonstrated remarkable capabilities across diverse tasks. However, the truthfulness of their outputs is not guaranteed, and their tendency toward overconfidence further limits reliability. Uncertainty…

Computation and Language · Computer Science 2026-03-23 Qi Cao , Andrew Gambardella , Takeshi Kojima , Yutaka Matsuo , Yusuke Iwasawa

Quantifying uncertainties for machine learning (ML) models is a foundational challenge in modern data analysis. This challenge is compounded by at least two key aspects of the field: (a) inconsistent terminology surrounding uncertainty and…

Machine Learning · Computer Science 2025-06-04 Shubhendu Trivedi , Brian D. Nord

Modern Large Language Models (LLMs) often require external tools, such as machine learning classifiers or knowledge retrieval systems, to provide accurate answers in domains where their pre-trained knowledge is insufficient. This…

Machine Learning · Computer Science 2025-05-23 Panagiotis Lymperopoulos , Vasanth Sarathy

Although large language models (LLMs) are becoming increasingly capable of solving challenging real-world tasks, accurately quantifying their uncertainty remains a critical open problem--one that limits their applicability in high-stakes…