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Training neural networks is an optimization problem, and finding a decent set of parameters through gradient descent can be a difficult task. A host of techniques has been developed to aid this process before and during the training phase.…

Machine Learning · Computer Science 2020-08-19 Divya Gaur , Joachim Folz , Andreas Dengel

A Bayesian network is a widely used probabilistic graphical model with applications in knowledge discovery and prediction. Learning a Bayesian network (BN) from data can be cast as an optimization problem using the well-known…

Artificial Intelligence · Computer Science 2018-11-14 Zhenyu A. Liao , Charupriya Sharma , James Cussens , Peter van Beek

Nested dropout is a variant of dropout operation that is able to order network parameters or features based on the pre-defined importance during training. It has been explored for: I. Constructing nested nets: the nested nets are neural…

Machine Learning · Computer Science 2022-06-20 Yufei Cui , Yu Mao , Ziquan Liu , Qiao Li , Antoni B. Chan , Xue Liu , Tei-Wei Kuo , Chun Jason Xue

Ensembling a neural network is a widely recognized approach to enhance model performance, estimate uncertainty, and improve robustness in deep supervised learning. However, deep ensembles often come with high computational costs and memory…

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…

As modern neural networks get more complex, specifying a model with high predictive performance and sound uncertainty quantification becomes a more challenging task. Despite some promising theoretical results on the true posterior…

Machine Learning · Computer Science 2025-06-18 Alisa Sheinkman , Sara Wade

Ensembles, where multiple neural networks are trained individually and their predictions are averaged, have been shown to be widely successful for improving both the accuracy and predictive uncertainty of single neural networks. However, an…

Machine Learning · Computer Science 2020-02-21 Yeming Wen , Dustin Tran , Jimmy Ba

Machine learning models have achieved human-level performance on various tasks. This success comes at a high cost of computation and storage overhead, which makes machine learning algorithms difficult to deploy on edge devices. Typically,…

Machine Learning · Computer Science 2021-11-12 Giuseppina Carannante , Dimah Dera , Ghulam Rasool , Nidhal C. Bouaynaya

Quantifying uncertainty in neural networks is a highly relevant problem which is essential to many applications. The two predominant paradigms to tackle this task are Bayesian neural networks (BNNs) and deep ensembles. Despite some…

Machine Learning · Computer Science 2025-01-31 Gabriel Loaiza-Ganem , Valentin Villecroze , Yixin Wang

Convolutional neural networks (CNNs) have been established as the main workhorse in image data processing; nonetheless, they require large amounts of data to train, often produce overconfident predictions, and frequently lack the ability to…

Computer Vision and Pattern Recognition · Computer Science 2025-10-14 Sarah Harkins Dayton , Hayden Everett , Ioannis Schizas , David L. Boothe , Vasileios Maroulas

Variational mean field approximations tend to struggle with contemporary overparametrized deep neural networks. Where a Bayesian treatment is usually associated with high-quality predictions and uncertainties, the practical reality has been…

Sampling complex free energy surfaces is one of the main challenges of modern atomistic simulation methods. The presence of kinetic bottlenecks in such surfaces often renders a direct approach useless. A popular strategy is to identify a…

Computational Physics · Physics 2019-09-25 Luigi Bonati , Yue-Yu Zhang , Michele Parrinello

Recurrent Neural Networks (RNNs) are powerful models for sequential data that have the potential to learn long-term dependencies. However, they are computationally expensive to train and difficult to parallelize. Recent work has shown that…

Machine Learning · Statistics 2015-10-07 César Laurent , Gabriel Pereyra , Philémon Brakel , Ying Zhang , Yoshua Bengio

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 ensembles have emerged as a powerful technique for improving predictive performance and enhancing model robustness across various applications by leveraging model diversity. However, traditional deep ensemble methods are often…

We explore a recently proposed Variational Dropout technique that provided an elegant Bayesian interpretation to Gaussian Dropout. We extend Variational Dropout to the case when dropout rates are unbounded, propose a way to reduce the…

Machine Learning · Statistics 2017-06-14 Dmitry Molchanov , Arsenii Ashukha , Dmitry Vetrov

The key distinguishing property of a Bayesian approach is marginalization, rather than using a single setting of weights. Bayesian marginalization can particularly improve the accuracy and calibration of modern deep neural networks, which…

Machine Learning · Computer Science 2022-03-31 Andrew Gordon Wilson , Pavel Izmailov

Networks are a commonly used mathematical model to describe the rich set of interactions between objects of interest. Many clustering methods have been developed in order to partition such structures, among which several rely on underlying…

Methodology · Statistics 2014-05-13 P. Latouche , E. Birmelé , C. Ambroise

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

Training a neural network model can be a lifelong learning process and is a computationally intensive one. A severe adverse effect that may occur in deep neural network models is that they can suffer from catastrophic forgetting during…

Machine Learning · Computer Science 2020-01-10 Xiaofeng Zhu , Feng Liu , Goce Trajcevski , Dingding Wang