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Uncertainty Quantification (UQ) is widely regarded as the primary safeguard for deploying Large Language Models (LLMs) in high-stakes domains. However, we argue that the field suffers from a category error: mainstream UQ methods for LLMs…

Computation and Language · Computer Science 2026-05-20 Tiejin Chen , Longchao Da , Xiaoou Liu , Hua Wei

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)…

In principle, deep learning models trained on medical time-series, including wearable photoplethysmography (PPG) sensor data, can provide a means to continuously monitor physiological parameters outside of clinical settings. However, there…

We present MatUQ, a benchmark framework for evaluating graph neural networks (GNNs) on out-of-distribution (OOD) materials property prediction with uncertainty quantification (UQ). MatUQ comprises 1,375 OOD prediction tasks constructed from…

Machine Learning · Computer Science 2025-11-18 Liqin Tan , Pin Chen , Menghan Liu , Xiean Wang , Jianhuan Cen , Qingsong Zou

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

Attention mechanism is effective in both focusing the deep learning models on relevant features and interpreting them. However, attentions may be unreliable since the networks that generate them are often trained in a weakly-supervised…

Machine Learning · Statistics 2020-06-11 Jay Heo , Hae Beom Lee , Saehoon Kim , Juho Lee , Kwang Joon Kim , Eunho Yang , Sung Ju Hwang

Neural networks are often overconfident about their predictions, which undermines their reliability and trustworthiness. In this work, we present a novel technique, named Error-Driven Uncertainty Aware Training (EUAT), which aims to enhance…

Machine Learning · Computer Science 2024-09-12 Pedro Mendes , Paolo Romano , David Garlan

Activity recognition in wearable computing faces two key challenges: i) activity characteristics may be context-dependent and change under different contexts or situations; ii) unknown contexts and activities may occur from time to time,…

Machine Learning · Computer Science 2020-03-05 Zepeng Huo , Arash PakBin , Xiaohan Chen , Nathan Hurley , Ye Yuan , Xiaoning Qian , Zhangyang Wang , Shuai Huang , Bobak Mortazavi

Uncertainty quantification (UQ) in computational chemistry (CC) is still in its infancy. Very few CC methods are designed to provide a confidence level on their predictions, and most users still rely improperly on the mean absolute error as…

Chemical Physics · Physics 2022-03-21 Pascal Pernot

Trustworthy depression prediction based on deep learning, incorporating both predictive reliability and algorithmic fairness across diverse demographic groups, is crucial for clinical application. Recently, achieving reliable depression…

Machine Learning · Computer Science 2025-10-01 Yonghong Li , Zheng Zhang , Xiuzhuang Zhou

Reliable uncertainty quantification (UQ) in machine learning (ML) regression tasks is becoming the focus of many studies in materials and chemical science. It is now well understood that average calibration is insufficient, and most studies…

Machine Learning · Statistics 2024-01-25 Pascal Pernot

Uncertainty quantification is an important and challenging problem in deep learning. Previous methods rely on dropout layers which are not present in modern deep architectures or batch normalization which is sensitive to batch sizes. In…

Computer Vision and Pattern Recognition · Computer Science 2020-07-10 Lukasz Wandzik , Raul Vicente Garcia , Jörg Krüger

Optimal uncertainty quantification (OUQ) is a framework for numerical extreme-case analysis of stochastic systems with imperfect knowledge of the underlying probability distribution. This paper presents sufficient conditions under which an…

Optimization and Control · Mathematics 2015-04-29 Shuo Han , Molei Tao , Ufuk Topcu , Houman Owhadi , Richard M. Murray

Uncertainty quantification (UQ) provides a resource-efficient solution for on-device monitoring of tinyML models deployed without access to true labels. However, existing UQ methods impose significant memory and compute demands, making them…

Machine Learning · Computer Science 2024-11-19 Nikhil P Ghanathe , Steven J E Wilton

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

Robustness to out-of-distribution (OOD) data is an important goal in building reliable machine learning systems. Especially in autonomous systems, wrong predictions for OOD inputs can cause safety critical situations. As a first step…

Machine Learning · Computer Science 2020-04-17 Andreas Sedlmeier , Thomas Gabor , Thomy Phan , Lenz Belzner , Claudia Linnhoff-Popien

In object detection with deep neural networks, the box-wise objectness score tends to be overconfident, sometimes even indicating high confidence in presence of inaccurate predictions. Hence, the reliability of the prediction and therefore…

Computer Vision and Pattern Recognition · Computer Science 2020-10-07 Marius Schubert , Karsten Kahl , Matthias Rottmann

The introduction of the Segment Anything Model (SAM) has paved the way for numerous semantic segmentation applications. For several tasks, quantifying the uncertainty of SAM is of particular interest. However, the ambiguous nature of the…

Computer Vision and Pattern Recognition · Computer Science 2025-07-30 Timo Kaiser , Thomas Norrenbrock , Bodo Rosenhahn

Current person image retrieval methods have achieved great improvements in accuracy metrics. However, they rarely describe the reliability of the prediction. In this paper, we propose an Uncertainty-Aware Learning (UAL) method to remedy…

Computer Vision and Pattern Recognition · Computer Science 2022-10-25 Zhaopeng Dou , Zhongdao Wang , Weihua Chen , Yali Li , Shengjin Wang

Retrieval augmented Question Answering (QA) helps QA models overcome knowledge gaps by incorporating retrieved evidence, typically a set of passages, alongside the question at test time. Previous studies show that this approach improves QA…

Computation and Language · Computer Science 2025-09-12 Laura Perez-Beltrachini , Mirella Lapata
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