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Calibration error is commonly adopted for evaluating the quality of uncertainty estimators in deep neural networks. In this paper, we argue that such a metric is highly beneficial for training predictive models, even when we do not…

Machine Learning · Statistics 2019-11-01 Jayaraman J. Thiagarajan , Bindya Venkatesh , Deepta Rajan

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 2020-09-01 Zhenyu A. Liao , Charupriya Sharma , James Cussens , Peter van Beek

Neural Linear Models (NLM) are deep Bayesian models that produce predictive uncertainty by learning features from the data and then performing Bayesian linear regression over these features. Despite their popularity, few works have focused…

Machine Learning · Statistics 2021-06-25 Cooper Lorsung

This paper re-examines the problem of parameter estimation in Bayesian networks with missing values and hidden variables from the perspective of recent work in on-line learning [Kivinen & Warmuth, 1994]. We provide a unified framework for…

Machine Learning · Computer Science 2013-02-08 Eric Bauer , Daphne Koller , Yoram Singer

Recent studies have shown that ensemble approaches could not only improve accuracy and but also estimate model uncertainty in deep learning. However, it requires a large number of parameters according to the increase of ensemble models for…

Computer Vision and Pattern Recognition · Computer Science 2020-05-25 Hong Joo Lee , Seong Tae Kim , Hakmin Lee , Nassir Navab , Yong Man Ro

Assessing the predictive uncertainty of deep neural networks is crucial for safety-related applications of deep learning. Although Bayesian deep learning offers a principled framework for estimating model uncertainty, the common approaches…

Machine Learning · Computer Science 2024-03-06 Yookoon Park , David M. Blei

Batch Normalization (BN) is an important preprocessing step to many deep learning applications. Since it is a data-dependent process, for some homogeneous datasets it is a redundant or even a performance-degrading process. In this paper, we…

Machine Learning · Computer Science 2022-12-01 Wael Alsobhi , Tarik Alafif , Alaa Abdel-Hakim , Weiwei Zong

Neural-network-based machine learning interatomic potentials have emerged as powerful tools for predicting atomic energies and forces, enabling accurate and efficient simulations in atomistic modeling. A key limitation of traditional deep…

Chemical Physics · Physics 2025-09-24 Riccardo Farris , Emanuele Telari , Nongnuch Artrith , Konstantin Neyman , Albert Bruix

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

Uncertainty quantification in deep learning is crucial for safe and reliable decision-making in downstream tasks. Existing methods quantify uncertainty at the last layer or other approximations of the network which may miss some sources of…

Machine Learning · Statistics 2025-04-25 James McInerney , Nathan Kallus

There are two major types of uncertainty one can model. Aleatoric uncertainty captures noise inherent in the observations. On the other hand, epistemic uncertainty accounts for uncertainty in the model -- uncertainty which can be explained…

Computer Vision and Pattern Recognition · Computer Science 2017-10-06 Alex Kendall , Yarin Gal

Quantifying uncertainty in a model's predictions is important as it enables the safety of an AI system to be increased by acting on the model's output in an informed manner. This is crucial for applications where the cost of an error is…

Computer Vision and Pattern Recognition · Computer Science 2021-05-31 Aria Khoshsirat

Modern machine learning methods including deep learning have achieved great success in predictive accuracy for supervised learning tasks, but may still fall short in giving useful estimates of their predictive {\em uncertainty}. Quantifying…

Batch normalization (BN) is a fundamental unit in modern deep networks, in which a linear transformation module was designed for improving BN's flexibility of fitting complex data distributions. In this paper, we demonstrate properly…

Computer Vision and Pattern Recognition · Computer Science 2020-12-01 Yuhui Xu , Lingxi Xie , Cihang Xie , Jieru Mei , Siyuan Qiao , Wei Shen , Hongkai Xiong , Alan Yuille

Batch normalization (BN) has become a standard technique for training the modern deep networks. However, its effectiveness diminishes when the batch size becomes smaller, since the batch statistics estimation becomes inaccurate. That…

Computer Vision and Pattern Recognition · Computer Science 2020-03-13 Chunjie Luo , Jianfeng Zhan , Lei Wang , Wanling Gao

Batch Normalization (BN) has become a cornerstone of deep learning across diverse architectures, appearing to help optimization as well as generalization. While the idea makes intuitive sense, theoretical analysis of its effectiveness has…

Machine Learning · Computer Science 2018-12-11 Sanjeev Arora , Zhiyuan Li , Kaifeng Lyu

We develop a novel deep learning method for uncertainty quantification in stochastic partial differential equations based on Bayesian neural network (BNN) and Hamiltonian Monte Carlo (HMC). A BNN efficiently learns the posterior…

Machine Learning · Statistics 2022-10-24 Jeahan Jung , Minseok Choi

Modern deep learning methods constitute incredibly powerful tools to tackle a myriad of challenging problems. However, since deep learning methods operate as black boxes, the uncertainty associated with their predictions is often…

Machine Learning · Computer Science 2022-06-06 Laurent Valentin Jospin , Wray Buntine , Farid Boussaid , Hamid Laga , Mohammed Bennamoun

Bayesian neural networks allow us to keep track of uncertainties, for example in top tagging, by learning a tagger output together with an error band. We illustrate the main features of Bayesian versions of established deep-learning…

High Energy Physics - Phenomenology · Physics 2020-01-22 Sven Bollweg , Manuel Haussmann , Gregor Kasieczka , Michel Luchmann , Tilman Plehn , Jennifer Thompson

Modern deep learning models generalize remarkably well in-distribution, despite being overparametrized and trained with little to no explicit regularization. Instead, current theory credits implicit regularization imposed by the choice of…

Machine Learning · Computer Science 2026-03-17 Jonathan Wenger , Beau Coker , Juraj Marusic , John P. Cunningham