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Inverse problems and, in particular, inferring unknown or latent parameters from data are ubiquitous in engineering simulations. A predominant viewpoint in identifying unknown parameters is Bayesian inference where both prior information…

Computation · Statistics 2022-08-31 Vahid Keshavarzzadeh , Robert M. Kirby , Akil Narayan

Graph neural networks (GNNs) have been shown to be astonishingly capable models for molecular property prediction, particularly as surrogates for expensive density functional theory calculations of relaxed energy for novel material…

Machine Learning · Computer Science 2024-08-27 Joseph Musielewicz , Janice Lan , Matt Uyttendaele , John R. Kitchin

We introduce a novel uncertainty estimation for classification tasks for Bayesian convolutional neural networks with variational inference. By normalizing the output of a Softplus function in the final layer, we estimate aleatoric and…

Machine Learning · Computer Science 2019-05-15 Kumar Shridhar , Felix Laumann , Marcus Liwicki

A novel variational inference based resampling framework is proposed to evaluate the robustness and generalization capability of deep learning models with respect to distribution shift. We use Auto Encoding Variational Bayes to find a…

Machine Learning · Computer Science 2019-10-29 Xudong Sun , Alexej Gossmann , Yu Wang , Bernd Bischl

Deep neural networks have achieved impressive results on a wide variety of tasks. However, quantifying uncertainty in the network's output is a challenging task. Bayesian models offer a mathematical framework to reason about model…

Machine Learning · Computer Science 2019-05-28 Manikanta Srikar Yellapragada , Chandra Prakash Konkimalla

Uncertainty quantification is an important and challenging problem in deep learning. Previous methods rely on dropout layers which are not present in modern deep architectures or batch normalization which is sensitive to batch sizes. In…

Computer Vision and Pattern Recognition · Computer Science 2020-07-10 Lukasz Wandzik , Raul Vicente Garcia , Jörg Krüger

Physics-based deep learning frameworks have shown to be effective in accurately modeling the dynamics of complex physical systems with generalization capability across problem inputs. However, time-independent problems pose the challenge of…

Machine Learning · Computer Science 2023-03-29 Rini Jasmine Gladstone , Helia Rahmani , Vishvas Suryakumar , Hadi Meidani , Marta D'Elia , Ahmad Zareei

Artificial Neural Networks are connectionist systems that perform a given task by learning on examples without having prior knowledge about the task. This is done by finding an optimal point estimate for the weights in every node.…

Machine Learning · Computer Science 2019-01-10 Kumar Shridhar , Felix Laumann , Marcus Liwicki

This work investigates the detection of instabilities that may occur when utilizing deep learning models for image reconstruction tasks. Although neural networks often empirically outperform traditional reconstruction methods, their usage…

Image and Video Processing · Electrical Eng. & Systems 2020-03-31 Jan Macdonald , Maximilian März , Luis Oala , Wojciech Samek

Neural network based data-driven operator learning schemes have shown tremendous potential in computational mechanics. DeepONet is one such neural network architecture which has gained widespread appreciation owing to its excellent…

Machine Learning · Statistics 2022-06-14 Shailesh Garg , Souvik Chakraborty

Inverse problems exist in a wide variety of physical domains from aerospace engineering to medical imaging. The goal is to infer the underlying state from a set of observations. When the forward model that produced the observations is…

Machine Learning · Computer Science 2023-01-06 Chelsea Sidrane , Sydney Katz , Anthony Corso , Mykel J. Kochenderfer

Uncertainty quantification is essential for deploying reliable Graph Neural Networks (GNNs), where existing approaches primarily rely on Bayesian inference or ensembles. In this paper, we introduce the first credal graph neural networks…

Machine Learning · Computer Science 2025-12-03 Matteo Tolloso , Davide Bacciu

Ubiquitous applications of Deep neural networks (DNNs) in different artificial intelligence systems have led to their adoption in solving challenging visualization problems in recent years. While sophisticated DNNs offer an impressive…

Computer Vision and Pattern Recognition · Computer Science 2024-06-28 Soumya Dutta , Faheem Nizar , Ahmad Amaan , Ayan Acharya

When employing deep neural networks (DNNs) for semantic segmentation in safety-critical applications like automotive perception or medical imaging, it is important to estimate their performance at runtime, e.g. via uncertainty estimates or…

Computer Vision and Pattern Recognition · Computer Science 2024-09-18 Edgar Heinert , Stephan Tilgner , Timo Palm , Matthias Rottmann

Deep neural networks have shown great achievements in solving complex problems. However, there are fundamental problems that limit their real world applications. Lack of measurable criteria for estimating uncertainty in the network outputs…

Computer Vision and Pattern Recognition · Computer Science 2018-03-02 Alireza Norouzi , Ali Emami , S. M. Reza Soroushmehr , Nader Karimi , Shadrokh Samavi , Kayvan Najarian

Deep neural networks (DNNs) have made a revolution in numerous fields during the last decade. However, in tasks with high safety requirements, such as medical or autonomous driving applications, providing an assessment of the models…

Machine Learning · Computer Science 2020-11-20 Omer Achrack , Raizy Kellerman , Ouriel Barzilay

Deep neural networks offer numerous potential applications across geoscience, for example, one could argue that they are the state-of-the-art method for predicting faults in seismic datasets. In quantitative reservoir characterization…

Machine Learning · Computer Science 2021-05-26 Lukas Mosser , Ehsan Zabihi Naeini

The willingness to trust predictions formulated by automatic algorithms is key in a vast number of domains. However, a vast number of deep architectures are only able to formulate predictions without an associated uncertainty. In this…

Image and Video Processing · Electrical Eng. & Systems 2022-09-28 Matteo Ferrante , Tommaso Boccato , Nicola Toschi

CoVariance Neural Networks (VNNs) perform convolutions on the graph determined by the covariance matrix of the data, which enables expressive and stable covariance-based learning. However, covariance matrices are typically dense, fail to…

Machine Learning · Computer Science 2026-01-21 Andrea Cavallo , Samuel Rey , Antonio G. Marques , Elvin Isufi

This paper presents a probabilistic framework to obtain both reliable and fast uncertainty estimates for predictions with Deep Neural Networks (DNNs). Our main contribution is a practical and principled combination of DNNs with sparse…

Robotics · Computer Science 2021-09-22 Jongseok Lee , Jianxiang Feng , Matthias Humt , Marcus G. Müller , Rudolph Triebel