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Graph Neural Networks (GNNs) have been extensively used in various real-world applications. However, the predictive uncertainty of GNNs stemming from diverse sources such as inherent randomness in data and model training errors can lead to…

Machine Learning · Computer Science 2025-03-11 Fangxin Wang , Yuqing Liu , Kay Liu , Yibo Wang , Sourav Medya , Philip S. Yu

Intelligence relies on an agent's knowledge of what it does not know. This capability can be assessed based on the quality of joint predictions of labels across multiple inputs. In principle, ensemble-based approaches produce effective…

Recent work introduced the epinet as a new approach to uncertainty modeling in deep learning. An epinet is a small neural network added to traditional neural networks, which, together, can produce predictive distributions. In particular,…

Machine Learning · Computer Science 2022-07-04 Xiuyuan Lu , Ian Osband , Seyed Mohammad Asghari , Sven Gowal , Vikranth Dwaracherla , Zheng Wen , Benjamin Van Roy

The idea to distinguish and quantify two important types of uncertainty, often referred to as aleatoric and epistemic, has received increasing attention in machine learning research in the last couple of years. In this paper, we consider…

Machine Learning · Computer Science 2021-12-13 Mohammad Hossein Shaker , Eyke Hüllermeier

Neural network ensembles is a simple yet effective approach for enhancing generalization capabilities. The most common method involves independently training multiple neural networks initialized with different weights and then averaging…

Computer Vision and Pattern Recognition · Computer Science 2025-04-09 Shunsuke Sakai , Shunsuke Tsuge , Tatsuhito Hasegawa

Ensembles of artificial neural networks show improved generalization capabilities that outperform those of single networks. However, for aggregation to be effective, the individual networks must be as accurate and diverse as possible. An…

Artificial Intelligence · Computer Science 2007-05-23 P. M. Granitto , P. F. Verdes , H. A. Ceccatto

Automated Machine Learning with ensembling (or AutoML with ensembling) seeks to automatically build ensembles of Deep Neural Networks (DNNs) to achieve qualitative predictions. Ensemble of DNNs are well known to avoid over-fitting but they…

Machine Learning · Computer Science 2022-08-31 Pierrick Pochelu , Serge G. Petiton , Bruno Conche

Sequential generative models conditioned on uncertain rewards are central to AI-driven scientific discovery, yet the epistemic uncertainty they inherit from imperfect reward estimates remains unquantified. We propagate this uncertainty…

Bayesian neural networks and deep ensembles represent two modern paradigms of uncertainty quantification in deep learning. Yet these approaches struggle to scale mainly due to memory inefficiency issues, since they require parameter storage…

Machine Learning · Statistics 2021-11-24 Hippolyt Ritter , Martin Kukla , Cheng Zhang , Yingzhen Li

Annotating the right data for training deep neural networks is an important challenge. Active learning using uncertainty estimates from Bayesian Neural Networks (BNNs) could provide an effective solution to this. Despite being theoretically…

Computer Vision and Pattern Recognition · Computer Science 2019-02-22 Kashyap Chitta , Jose M. Alvarez , Adam Lesnikowski

Generative diffusion models, notable for their large parameter count (exceeding 100 million) and operation within high-dimensional image spaces, pose significant challenges for traditional uncertainty estimation methods due to computational…

Computer Vision and Pattern Recognition · Computer Science 2024-06-28 Lucas Berry , Axel Brando , David Meger

Several recent works find empirically that the average test error of deep neural networks can be estimated via the prediction disagreement of models, which does not require labels. In particular, Jiang et al. (2022) show for the…

Machine Learning · Computer Science 2022-11-08 Andreas Kirsch , Yarin Gal

Graph Neural Networks (GNNs) have become the standard method for learning from networks across fields ranging from biology to social systems, yet a principled understanding of what enables them to extract meaningful representations, or why…

Machine Learning · Statistics 2026-03-19 Nil Ayday , Mahalakshmi Sabanayagam , Debarghya Ghoshdastidar

Real-world data contains aleatoric uncertainty - irreducible noise arising from imperfect measurements or from incomplete knowledge about the data generation process. Mean-variance estimation networks can learn this type of uncertainty but…

Machine Learning · Computer Science 2026-05-29 Jiaxiang Yi , Miguel A. Bessa

Deep Learning of neural networks has progressively become more prominent in healthcare with models reaching, or even surpassing, expert accuracy levels. However, these success stories are tainted by concerning reports on the lack of model…

Machine Learning · Computer Science 2021-11-02 Matthew Watson , Bashar Awwad Shiekh Hasan , Noura Al Moubayed

Graph Neural Networks (GNNs) have shown remarkable performance in the healthcare domain. However, what remained challenging is quantifying the predictive uncertainty of GNNs, which is an important aspect of trustworthiness in clinical…

Machine Learning · Computer Science 2025-08-28 Hirad Daneshvar , Reza Samavi

Recent work has shown that models trained to the same objective, and which achieve similar measures of accuracy on consistent test data, may nonetheless behave very differently on individual predictions. This inconsistency is undesirable in…

Machine Learning · Computer Science 2021-11-17 Emily Black , Klas Leino , Matt Fredrikson

The question why deep learning algorithms generalize so well has attracted increasing research interest. However, most of the well-established approaches, such as hypothesis capacity, stability or sparseness, have not provided complete…

Machine Learning · Computer Science 2017-11-07 Tom Zahavy , Bingyi Kang , Alex Sivak , Jiashi Feng , Huan Xu , Shie Mannor

The success of deep active learning hinges on the choice of an effective acquisition function, which ranks not yet labeled data points according to their expected informativeness. Many acquisition functions are (partly) based on the…

Machine Learning · Computer Science 2023-11-08 Mohamadsadegh Khosravani , Sandra Zilles

Deep learning based approaches have achieved significant progresses in different tasks like classification, detection, segmentation, and so on. Ensemble learning is widely known to further improve performance by combining multiple…

Computer Vision and Pattern Recognition · Computer Science 2019-05-17 Danlu Chen , Xu-Yao Zhang , Wei Zhang , Yao Lu , Xiuli Li , Tao Mei