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Trustworthy deployment of ML models requires a proper measure of uncertainty, especially in safety-critical applications. We focus on uncertainty quantification (UQ) for classification problems via two avenues -- prediction sets using…

Machine Learning · Statistics 2021-07-08 Aleksandr Podkopaev , Aaditya Ramdas

A problem of considerable importance within the field of uncertainty quantification (UQ) is the development of efficient methods for the construction of accurate surrogate models. Such efforts are particularly important to applications…

Computational Physics · Physics 2019-03-01 Rohit Tripathy , Ilias Bilionis

Stochastic simulation is widely used to study complex systems composed of various interconnected subprocesses, such as input processes, routing and control logic, optimization routines, and data-driven decision modules. In practice, these…

Computation · Statistics 2026-02-19 Mohammadmahdi Ghasemloo , David J. Eckman , Yaxian Li

The active learning (AL) technique, one of the state-of-the-art methods for constructing surrogate models, has shown high accuracy and efficiency in forward uncertainty quantification (UQ) analysis. This paper provides a comprehensive study…

Methodology · Statistics 2024-04-12 Maijia Su , Ziqi Wang , Oreste Salvatore Bursi , Marco Broccardo

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

This review is designed to introduce mathematicians and computational scientists to quantum computing (QC) through the lens of uncertainty quantification (UQ) by presenting a mathematically rigorous and accessible narrative for…

Quantum Physics · Physics 2026-03-30 Ryan Bennink , Olena Burkovska , Konstantin Pieper , Jorge Ramirez , Elaine Wong

Robustness studies of black-box models is recognized as a necessary task for numerical models based on structural equations and predictive models learned from data. These studies must assess the model's robustness to possible…

Optimization and Control · Mathematics 2022-09-26 Marouane Il Idrissi , Nicolas Bousquet , Fabrice Gamboa , Bertrand Iooss , Jean-Michel Loubes

Accurate skin lesion segmentation is vital for dermoscopic Computer-Aided Diagnosis. However, visual ambiguity and morphological irregularity often defeat spatial modeling, necessitating multi-domain architectures. Existing paradigms…

Image and Video Processing · Electrical Eng. & Systems 2026-05-12 Duwei Dai , Caixia Dong , Guowei Dai , Qingsen Yan , Qin Zhang , Fan Liu , Pengyu Ren , Guangyao Kong , Wei Zeng

This paper introduces a surrogate modeling scheme based on Grassmannian manifold learning to be used for cost-efficient predictions of high-dimensional stochastic systems. The method exploits subspace-structured features of each solution by…

Numerical Analysis · Mathematics 2020-08-26 Dimitris G. Giovanis , Michael D. Shields

The accessibility of spatially distributed data, enabled by affordable sensors, field, and numerical experiments, has facilitated the development of data-driven solutions for scientific problems, including climate change, weather…

Machine Learning · Computer Science 2023-11-09 Vardhan Dongre , Gurpreet Singh Hora

In scientific applications, predictive modeling is often of limited use without accurate uncertainty quantification (UQ) to indicate when a model may be extrapolating or when more data needs to be collected. Bayesian Neural Networks (BNNs)…

Machine Learning · Computer Science 2025-09-26 Scott Koermer , Natalie Klein

Machine-learning models can be fooled by adversarial examples, i.e., carefully-crafted input perturbations that force models to output wrong predictions. While uncertainty quantification has been recently proposed to detect adversarial…

Computer Vision and Pattern Recognition · Computer Science 2023-09-20 Emanuele Ledda , Daniele Angioni , Giorgio Piras , Giorgio Fumera , Battista Biggio , Fabio Roli

Most uncertainty quantification (UQ) approaches provide a single scalar value as a measure of model reliability. However, different uncertainty measures could provide complementary information on the prediction confidence. Even measures…

Amid growing interest in machine learning, numerous data-driven models have recently been developed for Reynolds-averaged turbulence modelling. However, their results generally show that they do not give accurate predictions for test cases…

Fluid Dynamics · Physics 2025-05-20 Anthony Man , Mohammad Jadidi , Amir Keshmiri , Hujun Yin , Yasser Mahmoudi

The reliability of the mercury spallation target is mission-critical for the neutron science program of the spallation neutron source at the Oak Ridge National Laboratory. We present an inverse uncertainty quantification (UQ) study using…

Accelerator Physics · Physics 2022-07-07 Majdi I. Radaideh , Lianshan Lin , Hao Jiang , Sarah Cousineau

Accurate yet efficient surrogate models are essential for large-scale simulations of partial differential equations (PDEs), particularly for uncertainty quantification (UQ) tasks that demand hundreds or thousands of evaluations. We develop…

Error-bounded lossy compression techniques have become vital for scientific data management and analytics, given the ever-increasing volume of data generated by modern scientific simulations and instruments. Nevertheless, assessing data…

Machine Learning · Computer Science 2025-12-29 Khondoker Mirazul Mumenin , Robert Underwood , Dong Dai , Jinzhen Wang , Sheng Di , Zarija Lukić , Franck Cappello

Uncertainty Quantification (UQ) has gained traction in an attempt to improve the interpretability and robustness of machine learning predictions. Specifically (medical) biosignals such as electroencephalography (EEG), electrocardiography…

Signal Processing · Electrical Eng. & Systems 2025-06-06 Ivo Pascal de Jong , Andreea Ioana Sburlea , Matias Valdenegro-Toro

Uncertainty quantification (UQ) is an active area of research, and an essential technique used in all fields of science and engineering. The most common methods for UQ are Monte Carlo and surrogate-modelling. The former method is…

Computation · Statistics 2023-09-01 Arnau Albà , Romana Boiger , Dimitri Rochman , Andreas Adelmann

Covariate-dependent uncertainty quantification in simulation-based inference is crucial for high-stakes decision-making but remains challenging due to the limitations of existing methods such as conformal prediction and classical bootstrap,…

Machine Learning · Computer Science 2026-01-28 Zhiyang Liang , Qingkai Zhang