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Uncertainty Quantification (UQ) is essential for creating trustworthy machine learning models. Recent years have seen a steep rise in UQ methods that can flag suspicious examples, however, it is often unclear what exactly these methods…

Machine Learning · Computer Science 2023-10-31 Hao Sun , Boris van Breugel , Jonathan Crabbe , Nabeel Seedat , Mihaela van der Schaar

Vision-language models (VLMs) are increasingly deployed in high-stakes settings where reliable uncertainty quantification (UQ) is as important as predictive accuracy. Extended reasoning via chain-of-thought (CoT) prompting or…

Machine Learning · Computer Science 2026-03-18 Robert Welch , Emir Konuk , Kevin Smith

Emergence of artificial intelligence techniques in biomedical applications urges the researchers to pay more attention on the uncertainty quantification (UQ) in machine-assisted medical decision making. For classification tasks, prior…

Machine Learning · Computer Science 2019-09-17 Xiaoyang Huang , Jiancheng Yang , Linguo Li , Haoran Deng , Bingbing Ni , Yi Xu

Multifidelity forward uncertainty quantification (UQ) problems often involve multiple quantities of interest and heterogeneous models (e.g., different grids, equations, dimensions, physics, surrogate and reduced-order models). While…

Numerical Analysis · Mathematics 2023-06-26 M. Croci , K. E. Willcox , S. J. Wright

Identifying and handling label errors can significantly enhance the accuracy of supervised machine learning models. Recent approaches for identifying label errors demonstrate that a low self-confidence of models with respect to a certain…

Machine Learning · Computer Science 2024-05-17 Johannes Jakubik , Michael Vössing , Manil Maskey , Christopher Wölfle , Gerhard Satzger

Large language models (LLMs) are notorious for hallucinating, i.e., producing erroneous claims in their output. Such hallucinations can be dangerous, as occasional factual inaccuracies in the generated text might be obscured by the rest of…

ML models have errors when used for predictions. The errors are unknown but can be quantified by model uncertainty. When multiple ML models are trained using the same training points, their model uncertainties may be statistically…

Machine Learning · Statistics 2025-09-23 Xiaoping Du

The hybrid neural differentiable models mark a significant advancement in the field of scientific machine learning. These models, integrating numerical representations of known physics into deep neural networks, offer enhanced predictive…

Machine Learning · Computer Science 2024-01-02 Deepak Akhare , Tengfei Luo , Jian-Xun Wang

Large Language Models (LLMs) are increasingly explored as knowledge bases (KBs), yet current evaluation methods focus too narrowly on knowledge retention, overlooking other crucial criteria for reliable performance. In this work, we rethink…

Computation and Language · Computer Science 2024-12-17 Danna Zheng , Mirella Lapata , Jeff Z. Pan

Uncertainty Quantification (UQ) is a key discipline for computational modeling of complex systems, enhancing reliability of engineering simulations. In crashworthiness, having an accurate assessment of the behavior of the model uncertainty…

Methodology · Statistics 2021-09-17 Marc Rocas , Alberto García-González , Sergio Zlotnik , Xabier Larráyoz , Pedro Díez

Large language models (LLMs) have been proposed as alternatives to human experts for estimating unknown quantities with associated uncertainty, a process known as Bayesian elicitation. We test this by asking eleven LLMs to estimate…

Artificial Intelligence · Computer Science 2026-04-03 Luka Hobor , Mario Brcic , Mihael Kovac , Kristijan Poje

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

Uncertainty quantification (UQ) is crucial in computational fluid dynamics to assess the reliability and robustness of simulations, given the uncertainties in input parameters. OpenLB is an open-source lattice Boltzmann method library…

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

Large molecular representation models pre-trained on massive unlabeled data have shown great success in predicting molecular properties. However, these models may tend to overfit the fine-tuning data, resulting in over-confident predictions…

Chemical Physics · Physics 2024-04-18 Yinghao Li , Lingkai Kong , Yuanqi Du , Yue Yu , Yuchen Zhuang , Wenhao Mu , Chao Zhang

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…

Uncertainty quantification enables users to assess the reliability of responses generated by large language models (LLMs). We present a novel Question Rephrasing technique to evaluate the input uncertainty of LLMs, which refers to the…

Computation and Language · Computer Science 2024-08-08 Zizhang Chen , Pengyu Hong , Sandeep Madireddy

With the increased use of data-driven approaches and machine learning-based methods in material science, the importance of reliable uncertainty quantification (UQ) of the predicted variables for informed decision-making cannot be…

Machine Learning · Computer Science 2024-05-15 Longze Li , Jiang Chang , Aleksandar Vakanski , Yachun Wang , Tiankai Yao , Min Xian

Inverse Uncertainty Quantification (UQ), or Bayesian calibration, is the process to quantify the uncertainties of random input parameters based on experimental data. The introduction of model discrepancy term is significant because…

Applications · Statistics 2019-07-24 Xu Wu , Koroush Shirvan , Tomasz Kozlowski

Uncertainty quantification (UQ) remains a critical challenge in Large Vision Language Models (LVLMs) for reliable predictions and real-world deployment. However, most existing methods are adapted from the LLM literature and primarily focus…

Computer Vision and Pattern Recognition · Computer Science 2026-05-27 Joseph Hoche , David Brellmann , Gianni Franchi