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Uncertainty quantification (UQ) in machine learning is currently drawing increasing research interest, driven by the rapid deployment of deep neural networks across different fields, such as computer vision, natural language processing, and…

Machine Learning · Computer Science 2022-08-26 Zongren Zou , Xuhui Meng , Apostolos F Psaros , George Em Karniadakis

Predicting human displacements is crucial for addressing various societal challenges, including urban design, traffic congestion, epidemic management, and migration dynamics. While predictive models like deep learning and Markov models…

Computers and Society · Computer Science 2024-08-07 Sebastiano Bontorin , Simone Centellegher , Riccardo Gallotti , Luca Pappalardo , Bruno Lepri , Massimiliano Luca

Reliable estimation of macro and micro traffic states is essential for urban traffic management. Unmanned Aerial Vehicles, with their airborne full-sample continuous trajectory observation, bring new opportunities for macro- and…

Optimization and Control · Mathematics 2025-10-29 Chaopeng Tan , Jiarong Yao , Meng Wang

Neural operators (NOs) provide fast, resolution-invariant surrogates for mapping input fields to PDE solution fields, but their predictions can exhibit significant epistemic uncertainty due to finite data, imperfect optimization, and…

Machine Learning · Computer Science 2026-03-13 Haoze Song , Zhihao Li , Mengyi Deng , Xin Li , Duyi Pan , Zhilu Lai , Wei Wang

Uncertainty quantification is a key pillar of trustworthy machine learning. It enables safe reactions under unsafe inputs, like predicting only when the machine learning model detects sufficient evidence, discarding anomalous data, or…

Machine Learning · Computer Science 2024-08-27 Michael Kirchhof

Uncertainty quantification (UQ) is a vital step in using mathematical models and simulations to take decisions. The field of cardiac simulation has begun to explore and adopt UQ methods to characterise uncertainty in model inputs and how…

Accurately estimating uncertainties in neural network predictions is of great importance in building trusted DNNs-based models, and there is an increasing interest in providing accurate uncertainty estimation on many tasks, such as security…

Machine Learning · Computer Science 2020-07-14 Yukun Ding , Jinglan Liu , Jinjun Xiong , Yiyu Shi

This paper presents a computational framework that generates ensemble predictive mechanics models with uncertainty quantification (UQ). We first develop a causal discovery algorithm to infer causal relations among time-history data measured…

Machine Learning · Computer Science 2021-05-24 Xiao Sun , Bahador Bahmani , Nikolaos N. Vlassis , WaiChing Sun , Yanxun Xu

With increasing deployment of machine learning systems in various real-world tasks, there is a greater need for accurate quantification of predictive uncertainty. While the common goal in uncertainty quantification (UQ) in machine learning…

Machine Learning · Computer Science 2021-09-22 Youngseog Chung , Ian Char , Han Guo , Jeff Schneider , Willie Neiswanger

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

We propose a new and intuitive metric for aleatoric uncertainty quantification (UQ), the prevalence of class collisions defined as the same input being observed in different classes. We use the rate of class collisions to define the…

Machine Learning · Computer Science 2026-03-19 Jesse Friedbaum , Sudarshan Adiga , Ravi Tandon

Traffic prediction is necessary not only for management departments to dispatch vehicles but also for drivers to avoid congested roads. Many traffic forecasting methods based on deep learning have been proposed in recent years, and their…

Machine Learning · Computer Science 2020-05-12 Jichen Wang , Weiguo Zhu , Yongqi Sun , Chunzi Tian

Development of an accurate, flexible, and numerically efficient uncertainty quantification (UQ) method is one of fundamental challenges in machine learning. Previously, a UQ method called DISCO Nets has been proposed (Bouchacourt et al.,…

Machine Learning · Computer Science 2023-07-06 Takuya Kanazawa , Chetan Gupta

We consider two conceptually different approaches for assessing the reliability of the individual predictions of a classifier: Robustness Quantification (RQ) and Uncertainty Quantification (UQ). We compare both approaches on a number of…

Machine Learning · Computer Science 2025-12-18 Adrián Detavernier , Jasper De Bock

Reliable uncertainty quantification in deep neural networks is very crucial in safety-critical applications such as automated driving for trustworthy and informed decision-making. Assessing the quality of uncertainty estimates is…

Computer Vision and Pattern Recognition · Computer Science 2022-12-12 Neslihan Kose , Ranganath Krishnan , Akash Dhamasia , Omesh Tickoo , Michael Paulitsch

Large Language Models (LLMs) are increasingly deployed to autonomously solve real-world tasks. A key ingredient for this is the LLM Function-Calling paradigm, a widely used approach for equipping LLMs with tool-use capabilities. However, an…

Computation and Language · Computer Science 2026-04-28 Zihuiwen Ye , Lukas Aichberger , Michael Kirchhof , Sinead Williamson , Luca Zappella , Yarin Gal , Arno Blaas , Adam Golinski

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

Artificial intelligence (AI)-based data-driven weather forecasting models have experienced rapid progress over the last years. Recent studies, with models trained on reanalysis data, achieve impressive results and demonstrate substantial…

Atmospheric and Oceanic Physics · Physics 2025-04-02 Christopher Bülte , Nina Horat , Julian Quinting , Sebastian Lerch

Parameter identification is crucial in virtual engineering processes, yet determining appropriate system excitations for identifying specific parameters remains challenging. In practice, extensive experimental programs often fail to…

Optimization and Control · Mathematics 2026-05-07 Kevin Schmidt , Nicola Henkelmann , Christoph Mark , Johannes von Keler

Modern machine learning methods including deep learning have achieved great success in predictive accuracy for supervised learning tasks, but may still fall short in giving useful estimates of their predictive {\em uncertainty}. Quantifying…

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