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Biases in the dataset often enable the model to achieve high performance on in-distribution data, while poorly performing on out-of-distribution data. To mitigate the detrimental effect of the bias on the networks, previous works have…

Computation and Language · Computer Science 2023-12-07 Eojin Jeon , Mingyu Lee , Juhyeong Park , Yeachan Kim , Wing-Lam Mok , SangKeun Lee

Neural network classifiers trained with cross-entropy loss achieve strong predictive accuracy but lack the capability to provide inherent predictive uncertainty estimates, thus requiring external techniques to obtain these estimates. In…

Machine Learning · Statistics 2026-04-08 Courtney Franzen , Farhad Pourkamali-Anaraki

Calibration of neural networks is a topical problem that is becoming more and more important as neural networks increasingly underpin real-world applications. The problem is especially noticeable when using modern neural networks, for which…

Machine Learning · Computer Science 2023-08-29 Ondrej Bohdal , Yongxin Yang , Timothy Hospedales

Multi-class classification methods that produce sets of probabilistic classifiers, such as ensemble learning methods, are able to model aleatoric and epistemic uncertainty. Aleatoric uncertainty is then typically quantified via the Bayes…

Machine Learning · Statistics 2023-04-20 Thomas Mortier , Viktor Bengs , Eyke Hüllermeier , Stijn Luca , Willem Waegeman

Uncertainty quantification is a central challenge in reliable and trustworthy machine learning. Naive measures such as last-layer scores are well-known to yield overconfident estimates in the context of overparametrized neural networks.…

Machine Learning · Computer Science 2023-05-24 Lucas Clarté , Bruno Loureiro , Florent Krzakala , Lenka Zdeborová

NLU models often exploit biases to achieve high dataset-specific performance without properly learning the intended task. Recently proposed debiasing methods are shown to be effective in mitigating this tendency. However, these methods rely…

Computation and Language · Computer Science 2020-10-14 Prasetya Ajie Utama , Nafise Sadat Moosavi , Iryna Gurevych

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

Obtaining accurate estimates of machine learning model uncertainties on newly predicted data is essential for understanding the accuracy of the model and whether its predictions can be trusted. A common approach to such uncertainty…

Recommending items to users has long been a fundamental task, and studies have tried to improve it ever since. Most well-known models commonly employ representation learning to map users and items into a unified embedding space for matching…

Information Retrieval · Computer Science 2025-04-16 Radin Cheraghi , Amir Mohammad Mahfoozi , Sepehr Zolfaghari , Mohammadshayan Shabani , Maryam Ramezani , Hamid R. Rabiee

Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and materials properties. A common short-coming shared by current approaches, however, is that neural networks only give point…

Computational Physics · Physics 2023-05-10 Albert Zhu , Simon Batzner , Albert Musaelian , Boris Kozinsky

Efficiently and meaningfully estimating prediction uncertainty is important for exploration in active learning campaigns in materials discovery, where samples with high uncertainty are interpreted as containing information missing from the…

Materials Science · Physics 2025-11-25 Ashley S. Dale , Kangming Li , Brian DeCost , Hao Wan , Yuchen Han , Yao Fehlis , Jason Hattrick-Simpers

Deep Ensembles, as a type of Bayesian Neural Networks, can be used to estimate uncertainty on the prediction of multiple neural networks by collecting votes from each network and computing the difference in those predictions. In this paper,…

Machine Learning · Computer Science 2023-07-10 Illia Oleksiienko , Alexandros Iosifidis

Ensemble methods which average over multiple neural network predictions are a simple approach to improve a model's calibration and robustness. Similarly, data augmentation techniques, which encode prior information in the form of invariant…

Ensembles of neural networks achieve superior performance compared to stand-alone networks in terms of accuracy, uncertainty calibration and robustness to dataset shift. \emph{Deep ensembles}, a state-of-the-art method for uncertainty…

Machine Learning · Computer Science 2022-02-23 Sheheryar Zaidi , Arber Zela , Thomas Elsken , Chris Holmes , Frank Hutter , Yee Whye Teh

In this study, we explore in depth a few under-studied topics at the intersection of uncertainty estimation and segmentation. Prior work has shown that the quality of uncertainty estimates can be very sensitive to a range of variables. As…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Michael Smith , Frank P. Ferrie

Standard deep learning methods, such as Ensemble Models, Bayesian Neural Networks and Quantile Regression Models provide estimates to prediction uncertainties for data-driven deep learning models. However, they can be limited in their…

Accurate uncertainty estimates are important in sequential model-based decision-making tasks such as Bayesian optimization. However, these estimates can be imperfect if the data violates assumptions made by the model (e.g., Gaussianity).…

Machine Learning · Computer Science 2024-06-27 Shachi Deshpande , Charles Marx , Volodymyr Kuleshov

Predictions of uncertainty-aware models are diverse, ranging from single point estimates (often averaged over prediction samples) to predictive distributions, to set-valued or credal-set representations. We propose a novel unified…

Machine Learning · Computer Science 2025-02-18 Shireen Kudukkil Manchingal , Muhammad Mubashar , Kaizheng Wang , Fabio Cuzzolin

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

Uncertainty estimation has been extensively studied in recent literature, which can usually be classified as aleatoric uncertainty and epistemic uncertainty. In current aleatoric uncertainty estimation frameworks, it is often neglected that…

Computer Vision and Pattern Recognition · Computer Science 2021-11-23 Jing Zhang , Yuchao Dai , Mehrtash Harandi , Yiran Zhong , Nick Barnes , Richard Hartley