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Safe deployment of graph neural networks (GNNs) under distribution shift requires models to provide accurate confidence indicators (CI). However, while it is well-known in computer vision that CI quality diminishes under distribution shift,…

Machine Learning · Computer Science 2023-09-21 Puja Trivedi , Mark Heimann , Rushil Anirudh , Danai Koutra , Jayaraman J. Thiagarajan

Ensembles improve prediction performance and allow uncertainty quantification by aggregating predictions from multiple models. In deep ensembling, the individual models are usually black box neural networks, or recently, partially…

Machine Learning · Statistics 2022-05-26 Lucas Kook , Andrea Götschi , Philipp FM Baumann , Torsten Hothorn , Beate Sick

Numerical climate models are used to project future climate change due to both anthropogenic and natural causes. Differences between projections from different climate models are a major source of uncertainty about future climate. Emergent…

Applications · Statistics 2020-02-06 Philip G. Sansom , David B. Stephenson , Thomas J. Bracegirdle

Proper quantification of predictive uncertainty is essential for the use of machine learning in safety-critical applications. Various uncertainty measures have been proposed for this purpose, typically claiming superiority over other…

Machine Learning · Computer Science 2025-12-16 Paul Hofman , Yusuf Sale , Eyke Hüllermeier

This study aims to comprehensively investigate the deep ensemble approach, an approximate Bayesian inference, in the multi-output regression task for predicting the aerodynamic performance of a missile configuration. To this end, the effect…

Machine Learning · Computer Science 2023-11-27 Sunwoong Yang , Kwanjung Yee

The parameterization of moist convection contributes to uncertainty in climate modeling and numerical weather prediction. Machine learning (ML) can be used to learn new parameterizations directly from high-resolution model output, but it…

Atmospheric and Oceanic Physics · Physics 2018-11-30 Paul A. O'Gorman , John G. Dwyer

Uncertainty Quantification (UQ) is essential in probabilistic machine learning models, particularly for assessing the reliability of predictions. In this paper, we present a systematic framework for estimating both epistemic and aleatoric…

Machine Learning · Statistics 2025-09-11 Marzieh Ajirak , Anand Ravishankar , Petar M. Djuric

When implementing prediction models for high-stakes real-world applications such as medicine, finance, and autonomous systems, quantifying prediction uncertainty is critical for effective risk management. Traditional approaches to…

Machine Learning · Statistics 2025-04-29 Junting Ren , Armin Schwartzman

Machine learning applications require fast and reliable per-sample uncertainty estimation. A common approach is to use predictive distributions from Bayesian or approximation methods and additively decompose uncertainty into aleatoric…

Machine Learning · Computer Science 2026-02-10 H. Martin Gillis , Isaac Xu , Thomas Trappenberg

Estimating uncertainty is at the core of performing scientific measurements in HEP: a measurement is not useful without an estimate of its uncertainty. The goal of uncertainty quantification (UQ) is inextricably linked to the question, "how…

High Energy Physics - Experiment · Physics 2022-11-02 Thomas Y. Chen , Biprateep Dey , Aishik Ghosh , Michael Kagan , Brian Nord , Nesar Ramachandra

Text embeddings are essential components in modern NLP pipelines. Although numerous embedding models have been proposed, no single model consistently dominates across domains and tasks. This variability motivates the use of ensemble…

Machine Learning · Computer Science 2026-02-13 Sungjun Lim , Kangjun Noh , Youngjun Choi , Heeyoung Lee , Kyungwoo Song

This paper investigates novel classifier ensemble techniques for uncertainty calibration applied to various deep neural networks for image classification. We evaluate both accuracy and calibration metrics, focusing on Expected Calibration…

Computer Vision and Pattern Recognition · Computer Science 2025-01-20 Michael Schulze , Nikolas Ebert , Laurenz Reichardt , Oliver Wasenmüller

Uncertainty quantification (UQ) in natural language generation (NLG) tasks remains an open challenge, exacerbated by the closed-source nature of the latest large language models (LLMs). This study investigates applying conformal prediction…

Computation and Language · Computer Science 2024-11-19 Zhiyuan Wang , Jinhao Duan , Lu Cheng , Yue Zhang , Qingni Wang , Xiaoshuang Shi , Kaidi Xu , Hengtao Shen , Xiaofeng Zhu

Classical problems in computational physics such as data-driven forecasting and signal reconstruction from sparse sensors have recently seen an explosion in deep neural network (DNN) based algorithmic approaches. However, most DNN models do…

Machine Learning · Computer Science 2023-02-21 Romit Maulik , Romain Egele , Krishnan Raghavan , Prasanna Balaprakash

This work demonstrates the ability to produce readily interpretable statistical metrics for model fit, fixed effects covariance coefficients, and prediction confidence. Importantly, this work compares 4 suitable and commonly applied…

Machine Learning · Statistics 2022-11-30 Alex Treacher , Kevin Nguyen , Dylan Owens , Daniel Heitjan , Albert Montillo

The Global Change Analysis Model (GCAM) simulates complex interactions between the coupled Earth and human systems, providing valuable insights into the co-evolution of land, water, and energy sectors under different future scenarios.…

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

We study the problem of quantifying epistemic predictive uncertainty (EPU) -- that is, uncertainty faced at prediction time due to the existence of multiple plausible predictive models -- within the framework of conformal prediction (CP).…

Machine Learning · Computer Science 2026-02-03 Siu Lun Chau , Soroush H. Zargarbashi , Yusuf Sale , Michele Caprio

The post-Moore era casts a shadow of uncertainty on many aspects of computer system design. Managing that uncertainty requires new algorithmic tools to make quantitative assessments. While prior uncertainty quantification methods, such as…

Signal Processing · Electrical Eng. & Systems 2019-10-22 Zichang He , Weilong Cui , Chunfeng Cui , Timothy Sherwood , Zheng Zhang

Forecasting surgical instrument trajectories and predicting the next surgical action recently started to attract attention from the research community. Both these tasks are crucial for automation and assistance in endoscopy surgery. Given…

Computer Vision and Pattern Recognition · Computer Science 2025-03-13 Sara Sangalli , Gary Sarwin , Ertunc Erdil , Alessandro Carretta , Victor Staartjes , Carlo Serra , Ender Konukoglu