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Decomposing prediction uncertainty into aleatoric (irreducible) and epistemic (reducible) components is critical for the reliable deployment of machine learning systems. While the mutual information between the response variable and model…

Machine Learning · Statistics 2026-02-10 Anchit Jain , Stephen Bates

Large Language Models (LLMs) have demonstrated remarkable proficiency in various natural language generation (NLG) tasks. Previous studies suggest that LLMs' generation process involves uncertainty. However, existing approaches to…

Computation and Language · Computer Science 2024-09-06 Yu-Hsiang Wang , Andrew Bai , Che-Ping Tsai , Cho-Jui Hsieh

Large language models (LLMs) produce outputs with varying levels of uncertainty, and, just as often, varying levels of correctness; making their practical reliability far from guaranteed. To quantify this uncertainty, we systematically…

Computation and Language · Computer Science 2025-10-24 Christian Hobelsberger , Theresa Winner , Andreas Nawroth , Oliver Mitevski , Anna-Carolina Haensch

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 increasingly used in clinical settings, where sensitivity to linguistic uncertainty can influence diagnostic interpretation and decision-making. Yet little is known about where such epistemic cues are…

Computation and Language · Computer Science 2025-12-01 Srivarshinee Sridhar , Raghav Kaushik Ravi , Kripabandhu Ghosh

Deep unrolling is an emerging deep learning-based image reconstruction methodology that bridges the gap between model-based and purely deep learning-based image reconstruction methods. Although deep unrolling methods achieve…

Image and Video Processing · Electrical Eng. & Systems 2022-12-21 Canberk Ekmekci , Mujdat Cetin

Prompt optimization algorithms for Large Language Models (LLMs) excel in multi-step reasoning but still lack effective uncertainty estimation. This paper introduces a benchmark dataset to evaluate uncertainty metrics, focusing on Answer,…

Machine Learning · Computer Science 2024-12-30 Pei-Fu Guo , Yun-Da Tsai , Shou-De Lin

Vision-Language Models (VLMs) are typically deterministic in nature and lack intrinsic mechanisms to quantify epistemic uncertainty, which reflects the model's lack of knowledge or ignorance of its own representations. We theoretically…

Machine Learning · Computer Science 2026-05-21 Li Ju , Mayank Nautiyal , Andreas Hellander , Ekta Vats , Prashant Singh

Despite the massive advancements in large language models (LLMs), they still suffer from producing plausible but incorrect responses. To improve the reliability of LLMs, recent research has focused on uncertainty quantification to predict…

Artificial Intelligence · Computer Science 2025-04-01 Yongjin Yang , Haneul Yoo , Hwaran Lee

The output of Large Language Models (LLMs) are a function of the internal model's parameters and the input provided into the context window. The hypothesis presented here is that under a greedy sampling strategy the variance in the LLM's…

Artificial Intelligence · Computer Science 2025-02-20 Srijith Rajamohan , Ahmed Salhin , Josh Frazier , Rohit Kumar , Yu-Cheng Tsai , Todd Cook

We give a principled method for decomposing the predictive uncertainty of a model into aleatoric and epistemic components with explicit semantics relating them to the real-world data distribution. While many works in the literature have…

Machine Learning · Computer Science 2024-12-30 Gustaf Ahdritz , Aravind Gollakota , Parikshit Gopalan , Charlotte Peale , Udi Wieder

In this PhD thesis, we propose a novel framework for uncertainty quantification in machine learning, which is based on proper scores. Uncertainty quantification is an important cornerstone for trustworthy and reliable machine learning…

Machine Learning · Computer Science 2025-08-26 Sebastian G. Gruber

Hyperspectral imagery collected from airborne or satellite sources inevitably suffers from spectral variability, making it difficult for spectral unmixing to accurately estimate abundance maps. The classical unmixing model, the linear…

Computer Vision and Pattern Recognition · Computer Science 2019-06-25 Danfeng Hong , Naoto Yokoya , Jocelyn Chanussot , Xiao Xiang Zhu

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…

While Large Language Models (LLMs) show remarkable capabilities, their unreliability remains a critical barrier to deployment in high-stakes domains. This survey charts a functional evolution in addressing this challenge: the evolution of…

Artificial Intelligence · Computer Science 2026-04-21 Jiaxin Zhang , Wendi Cui , Zhuohang Li , Lifu Huang , Bradley Malin , Caiming Xiong , Chien-Sheng Wu

Handling graph data is one of the most difficult tasks. Traditional techniques, such as those based on geometry and matrix factorization, rely on assumptions about the data relations that become inadequate when handling large and complex…

Machine Learning · Computer Science 2024-04-15 Zhenyu Qian , Yiming Qian , Yuting Song , Fei Gao , Hai Jin , Chen Yu , Xia Xie

Generative models, like large language models, are becoming increasingly relevant in our daily lives, yet a theoretical framework to assess their generalization behavior and uncertainty does not exist. Particularly, the problem of…

Machine Learning · Computer Science 2024-07-11 Sebastian G. Gruber , Florian Buettner

Automated molecular structure elucidation remains challenging, as existing approaches often depend on pre-compiled databases or restrict themselves to single spectroscopic modalities. Here we introduce SpectraLLM, a large language model…

Quantitative Methods · Quantitative Biology 2026-05-12 Yunyue Su , Jiahui Chen , Zao Jiang , Zhenyi Zhong , Liang Wang , Qiang Liu , Zhaoxiang Zhang

This study investigates semantic uncertainty in large language model (LLM) outputs across different decoding methods, focusing on emerging techniques like speculative sampling and chain-of-thought (CoT) decoding. Through experiments on…

Computation and Language · Computer Science 2025-06-24 Darius Foodeei , Simin Fan , Martin Jaggi

Uncertainty plays a crucial role in the machine learning field. Both model trustworthiness and performance require the understanding of uncertainty, especially for models used in high-stake applications where errors can cause cataclysmic…

Machine Learning · Computer Science 2022-11-29 Shuo Chen
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