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Large language models (LLMs) have demonstrated remarkable capabilities across various tasks. However, these models could offer biased, hallucinated, or non-factual responses camouflaged by their fluency and realistic appearance. Uncertainty…

Computation and Language · Computer Science 2025-05-30 Zhiqiu Xia , Jinxuan Xu , Yuqian Zhang , Hang Liu

Large Language Diffusion Models (LLDMs) are emerging as an alternative to autoregressive models, offering faster inference through higher parallelism. Similar to autoregressive LLMs, they remain prone to hallucinations, making reliable…

Computation and Language · Computer Science 2026-05-15 Artem Vazhentsev , Vladislav Smirnov , David Li , Maxim Panov , Timothy Baldwin , Artem Shelmanov

As machine learning (ML) models are increasingly deployed in high-stakes domains, trustworthy uncertainty quantification (UQ) is critical for ensuring the safety and reliability of these models. Traditional UQ methods rely on specifying a…

Machine Learning · Statistics 2025-05-14 Abhineet Agarwal , Michael Xiao , Rebecca Barter , Omer Ronen , Boyu Fan , Bin Yu

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

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

Uncertainty quantification (UQ) has emerged as a promising approach for detecting hallucinations and low-quality output of Large Language Models (LLMs). However, obtaining proper uncertainty scores is complicated by the conditional…

Hallucinations are a persistent problem with Large Language Models (LLMs). As these models become increasingly used in high-stakes domains, such as healthcare and finance, the need for effective hallucination detection is crucial. To this…

Computation and Language · Computer Science 2026-01-29 Dylan Bouchard , Mohit Singh Chauhan

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

The proliferation of open-source Large Language Models (LLMs) from various institutions has highlighted the urgent need for comprehensive evaluation methods. However, current evaluation platforms, such as the widely recognized HuggingFace…

Computation and Language · Computer Science 2024-11-01 Fanghua Ye , Mingming Yang , Jianhui Pang , Longyue Wang , Derek F. Wong , Emine Yilmaz , Shuming Shi , Zhaopeng Tu

Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with…

Machine Learning · Computer Science 2023-02-08 Apostolos F Psaros , Xuhui Meng , Zongren Zou , Ling Guo , George Em Karniadakis

Large language models (LLMs) have transformed natural language processing, but their reliable deployment requires effective uncertainty quantification (UQ). Existing UQ methods are often heuristic and lack a probabilistic interpretation.…

Computation and Language · Computer Science 2025-11-06 Haoyi Song , Ruihan Ji , Naichen Shi , Fan Lai , Raed Al Kontar

Deep neural networks (DNNs) have achieved tremendous success in computer vision, natural language processing, and scientific and engineering domains. However, DNNs can make unexpected, incorrect, yet overconfident predictions, leading to…

Machine Learning · Computer Science 2025-12-16 Wenchong He , Zhe Jiang , Tingsong Xiao , Zelin Xu , Yukun Li

Large language models (LLMs) show remarkable promise for democratizing automated reasoning by generating formal specifications. However, a fundamental tension exists: LLMs are probabilistic, while formal verification demands deterministic…

Uncertainty quantification (UQ) is vital for ensuring that vision-language models (VLMs) behave safely and reliably. A central challenge is to localize uncertainty to its source, determining whether it arises from the image, the text, or…

Computer Vision and Pattern Recognition · Computer Science 2026-02-11 Chenyu Wang , Tianle Chen , H. M. Sabbir Ahmad , Kayhan Batmanghelich , Wenchao Li

Uncertainty Quantification (UQ) research has primarily focused on closed-book factual question answering (QA), while contextual QA remains unexplored, despite its importance in real-world applications. In this work, we focus on UQ for the…

If Uncertainty Quantification (UQ) is crucial to achieve trustworthy Machine Learning (ML), most UQ methods suffer from disparate and inconsistent evaluation protocols. We claim this inconsistency results from the unclear requirements the…

Machine Learning · Computer Science 2022-07-28 Victor Bouvier , Simona Maggio , Alexandre Abraham , Léo Dreyfus-Schmidt

Uncertainty quantification (UQ) is the process of systematically determining and characterizing the degree of confidence in computational model predictions. In the context of systems biology, especially with dynamic models, UQ is crucial…

Machine Learning · Statistics 2024-10-29 Alberto Portela , Julio R. Banga , Marcos Matabuena

Uncertainty quantification (UQ) for large language models (LLMs) is a key building block for safety guardrails of daily LLM applications. Yet, even as LLM agents are increasingly deployed in highly complex tasks, most UQ research still…

Artificial Intelligence · Computer Science 2026-04-21 Changdae Oh , Seongheon Park , To Eun Kim , Jiatong Li , Wendi Li , Samuel Yeh , Xuefeng Du , Hamed Hassani , Paul Bogdan , Dawn Song , Sharon Li

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

There are essentially three kinds of approaches to Uncertainty Quantification (UQ): (A) robust optimization, (B) Bayesian, (C) decision theory. Although (A) is robust, it is unfavorable with respect to accuracy and data assimilation. (B)…