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Despite the growing demand for eliciting uncertainty from large language models (LLMs), empirical evidence suggests that LLM behavior is not always adequately captured by the elicitation techniques developed under the classical…

Artificial Intelligence · Computer Science 2026-03-12 Anita Yang , Krikamol Muandet , Michele Caprio , Siu Lun Chau , Masaki Adachi

Neural networks (NNs) often assign high confidence to their predictions, even for points far out-of-distribution, making uncertainty quantification (UQ) a challenge. When they are employed to model interatomic potentials in materials…

Machine Learning · Computer Science 2023-12-27 Aik Rui Tan , Shingo Urata , Samuel Goldman , Johannes C. B. Dietschreit , Rafael Gómez-Bombarelli

Researchers have proposed several approaches for neural network (NN) based uncertainty quantification (UQ). However, most of the approaches are developed considering strong assumptions. Uncertainty quantification algorithms often perform…

Large-language models (LLMs) and chatbot agents are known to provide wrong outputs at times, and it was recently found that this can never be fully prevented. Hence, uncertainty quantification plays a crucial role, aiming to quantify the…

Machine Learning · Computer Science 2025-05-29 Michael Kirchhof , Gjergji Kasneci , Enkelejda Kasneci

A framework is developed based on different uncertainty quantification (UQ) techniques in order to assess validation and verification (V&V) metrics in computational physics problems, in general, and computational fluid dynamics (CFD), in…

Computational Physics · Physics 2020-07-15 Saleh Rezaeiravesh , Ricardo Vinuesa , Philipp Schlatter

Large Language Models (LLMs) are known to hallucinate, whereby they generate plausible but inaccurate text. This phenomenon poses significant risks in critical applications, such as medicine or law, necessitating robust hallucination…

Computation and Language · Computer Science 2024-10-23 Benedict Aaron Tjandra , Muhammed Razzak , Jannik Kossen , Kunal Handa , Yarin Gal

Uncertainty quantification is a key aspect in many tasks such as model selection/regularization, or quantifying prediction uncertainties to perform active learning or OOD detection. Within credal approaches that consider modeling…

Machine Learning · Computer Science 2026-03-26 Tuan-Anh Vu , Sébastien Destercke , Frédéric Pichon

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

In safety-critical applications, language models should be able to characterize their uncertainty with meaningful probabilities. Many uncertainty quantification approaches require supervised data; however, finding suitable unseen…

Computation and Language · Computer Science 2026-05-14 Sophia Hager , Simon Zeng , Nicholas Andrews

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

This thesis synthesizes probability and entropic inference with Quantum Mechanics (QM) and quantum measurement [1-6]. It is shown that the standard and quantum relative entropies are tools designed for the purpose of updating probability…

Quantum Physics · Physics 2018-04-25 Kevin Vanslette

An accurate description of information is relevant for a range of problems in atomistic machine learning (ML), such as crafting training sets, performing uncertainty quantification (UQ), or extracting physical insights from large datasets.…

Materials Science · Physics 2025-05-02 Daniel Schwalbe-Koda , Sebastien Hamel , Babak Sadigh , Fei Zhou , Vincenzo Lordi

Text classifiers built on Pre-trained Language Models (PLMs) have achieved remarkable progress in various tasks including sentiment analysis, natural language inference, and question-answering. However, the occurrence of uncertain…

Computation and Language · Computer Science 2023-06-07 Jiazheng Li , Zhaoyue Sun , Bin Liang , Lin Gui , Yulan He

In nuclear reactor system design and safety analysis, the Best Estimate plus Uncertainty (BEPU) methodology requires that computer model output uncertainties must be quantified in order to prove that the investigated design stays within…

Computation · Statistics 2018-06-22 Xu Wu , Tomasz Kozlowski , Hadi Meidani , Koroush Shirvan

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…

We have recently proposed a rigorous framework for Uncertainty Quantification (UQ) in which UQ objectives and assumption/information set are brought into the forefront, providing a framework for the communication and comparison of UQ…

Discrete Mathematics · Computer Science 2012-02-07 M. McKerns , H. Owhadi , C. Scovel , T. J. Sullivan , M. Ortiz

High-dimensional tensor data often exhibit strong temporal correlations that appear as low-dimensional structures in the frequency domain. While the low-tubal-rank tensor model effectively captures these spectral features, making it…

Methodology · Statistics 2026-04-14 Jiuqian Shang , Jingyang Li , Yang Chen

Machine learning (ML) has been leveraged to tackle a diverse range of tasks in almost all branches of nuclear engineering. Many of the successes in ML applications can be attributed to the recent performance breakthroughs in deep learning,…

Systems and Control · Electrical Eng. & Systems 2025-03-25 Xu Wu , Lesego E. Moloko , Pavel M. Bokov , Gregory K. Delipei , Joshua Kaizer , Kostadin N. Ivanov

Despite demonstrating impressive capabilities, Large Language Models (LLMs) still often struggle to accurately express the factual knowledge they possess, especially in cases where the LLMs' knowledge boundaries are ambiguous. To improve…

Computation and Language · Computer Science 2025-05-26 Boyang Xue , Fei Mi , Qi Zhu , Hongru Wang , Rui Wang , Sheng Wang , Erxin Yu , Xuming Hu , Kam-Fai Wong

Uncertainty quantification (UQ) has increasing importance in building robust high-performance and generalizable materials property prediction models. It can also be used in active learning to train better models by focusing on getting new…

Materials Science · Physics 2022-11-14 Daniel Varivoda , Rongzhi Dong , Sadman Sadeed Omee , Jianjun Hu
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