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Unreliable predictions can occur when using artificial intelligence (AI) systems with negative consequences for downstream applications, particularly when employed for decision-making. Conformal prediction provides a model-agnostic…

Machine Learning · Computer Science 2024-01-15 Geethen Singh , Glenn Moncrieff , Zander Venter , Kerry Cawse-Nicholson , Jasper Slingsby , Tamara B Robinson

Deep Learning methods are known to suffer from calibration issues: they typically produce over-confident estimates. These problems are exacerbated in the low data regime. Although the calibration of probabilistic models is well studied,…

Machine Learning · Statistics 2021-11-30 Rahul Rahaman , Alexandre H. Thiery

Large language models (LLMs) have transformed natural language processing, but their reliable deployment requires effective uncertainty quantification (UQ). Existing UQ methods are often heuristic and lack a probabilistic interpretation.…

Computation and Language · Computer Science 2025-11-06 Haoyi Song , Ruihan Ji , Naichen Shi , Fan Lai , Raed Al Kontar

Ensembles of neural networks (NNs) have long been used to estimate predictive uncertainty; a small number of NNs are trained from different initialisations and sometimes on differing versions of the dataset. The variance of the ensemble's…

Machine Learning · Computer Science 2018-11-30 Tim Pearce , Mohamed Zaki , Andy Neely

Countless research works of deep neural networks (DNNs) in the task of credit card fraud detection have focused on improving the accuracy of point predictions and mitigating unwanted biases by building different network architectures or…

We show that ensembling effectively quantifies model uncertainty in Neural Radiance Fields (NeRFs) if a density-aware epistemic uncertainty term is considered. The naive ensembles investigated in prior work simply average rendered RGB…

Computer Vision and Pattern Recognition · Computer Science 2022-09-20 Niko Sünderhauf , Jad Abou-Chakra , Dimity Miller

Large language models(LLMs) are increasingly expanding their real-world applications across domains, e.g., question answering, autonomous driving, and automatic software development. Despite this achievement, LLMs, as data-driven systems,…

Artificial Intelligence · Computer Science 2025-12-09 Xianzong Wu , Xiaohong Li , Lili Quan , Qiang Hu

Uncertainty quantification (UQ) in scientific machine learning is increasingly critical as neural networks are widely adopted to tackle complex problems across diverse scientific disciplines. For physics-informed neural networks (PINNs), a…

Machine Learning · Statistics 2025-10-20 Frank Shih , Zhenghao Jiang , Faming Liang

Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near first-principles accuracy at substantially reduced computational cost, making them powerful tools for large-scale materials modeling. The accuracy of…

Materials Science · Physics 2025-08-11 Yonatan Kurniawan , Mingjian Wen , Ellad B. Tadmor , Mark K. Transtrum

In the context of an increasing popularity of data-driven models to represent dynamical systems, many machine learning-based implementations of the Koopman operator have recently been proposed. However, the vast majority of those works are…

Machine Learning · Computer Science 2024-03-14 Anthony Frion , Lucas Drumetz , Guillaume Tochon , Mauro Dalla Mura , Albdeldjalil Aïssa El Bey

Turbulent flows play an important role in many scientific and technological design problems. Both Sub-Grid Scale (SGS) models in Large Eddy Simulations (LES) and Reynolds Averaged Navier Stokes (RANS) based modeling will require turbulence…

Fluid Dynamics · Physics 2024-07-16 Minghan Chu

Reliable wildfire spread prediction is vital for risk-aware emergency planning, yet most deep learning models lack principled uncertainty quantification (UQ). Further, for boundary-sensitive cases like wildfire spread, evaluating models…

Computer Vision and Pattern Recognition · Computer Science 2026-05-07 Jonas V. Funk

Uncertainty quantification during atmospheric chemistry modeling is computationally expensive as it typically requires a large number of simulations using complex models. As large-scale modeling is typically performed with simplified…

Computational Physics · Physics 2024-07-16 Lin Guo , Xiaokai Yang , Zhonghua Zheng , Nicole Riemer , Christopher W. Tessum

Time-series with volatility clustering pose a unique challenge to uncertainty quantification (UQ) for returns forecasts. Methods for UQ such as Deep Evidential regression offer a simple way of quantifying return forecast uncertainty without…

Statistical Finance · Quantitative Finance 2024-09-20 Steven Y. K. Wong , Jennifer S. K. Chan , Lamiae Azizi

Uncertainty quantification is crucial to assess prediction quality of a machine learning model. In the case of Extreme Learning Machines (ELM), most methods proposed in the literature make strong assumptions on the data, ignore the…

Machine Learning · Statistics 2020-11-04 Fabian Guignard , Federico Amato , Mikhail Kanevski

Rigorous statistical methods, including parameter estimation with accompanying uncertainties, underpin the validity of scientific discovery, especially in the natural sciences. With increasingly complex data models such as deep learning…

Machine Learning · Computer Science 2026-02-18 Aurora Grefsrud , Nello Blaser , Trygve Buanes

Large ensembles of climate projections are essential for characterizing uncertainty in future climate and extreme weather events, yet computational constraints of numerical climate models limit ensemble sizes to a small number of…

Atmospheric and Oceanic Physics · Physics 2025-12-01 Francesco Immorlano , Elijah Tavares , Felix Draxler , Padhraic Smyth , Pierre Gentine , Stephan Mandt

High-resolution precipitation forecasts are crucial for providing accurate weather prediction and supporting effective responses to extreme weather events. Traditional numerical models struggle with stochastic subgrid-scale processes, while…

Machine Learning · Computer Science 2025-01-07 Shuangshuang He , Hongli Liang , Yuanting Zhang , Xingyuan Yuan

Uncertainty estimation and ensembling methods go hand-in-hand. Uncertainty estimation is one of the main benchmarks for assessment of ensembling performance. At the same time, deep learning ensembles have provided state-of-the-art results…

Machine Learning · Statistics 2021-07-20 Arsenii Ashukha , Alexander Lyzhov , Dmitry Molchanov , Dmitry Vetrov

The Earth's climate system is a classical example of a multiscale, multiphysics dynamical system with an extremely large number of active degrees of freedom, exhibiting variability on scales ranging from micrometers and seconds in cloud…

Atmospheric and Oceanic Physics · Physics 2022-01-19 Gary Froyland , Dimitrios Giannakis , Benjamin Lintner , Maxwell Pike , Joanna Slawinska