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Quantifying uncertainty in deep regression models is important both for understanding the confidence of the model and for safe decision-making in high-risk domains. Existing approaches that yield prediction intervals overlook distributional…

Machine Learning · Computer Science 2025-12-02 Adriel Sosa Marco , John Daniel Kirwan , Alexia Toumpa , Simos Gerasimou

Data assimilation in subsurface flow systems is challenging due to the large number of flow simulations often required, and by the need to preserve geological realism in the calibrated (posterior) models. In this work we present a…

Computational Physics · Physics 2021-02-03 Meng Tang , Yimin Liu , Louis J. Durlofsky

While graph neural networks (GNNs) are widely used for node and graph representation learning tasks, the reliability of GNN uncertainty estimates under distribution shifts remains relatively under-explored. Indeed, while post-hoc…

Machine Learning · Computer Science 2024-12-16 Puja Trivedi , Mark Heimann , Rushil Anirudh , Danai Koutra , Jayaraman J. Thiagarajan

Many traffic prediction applications rely on uncertainty estimates instead of the mean prediction. Statistical traffic prediction literature has a complete subfield devoted to uncertainty modelling, but recent deep learning traffic…

Machine Learning · Computer Science 2020-12-10 Tijs Maas , Peter Bloem

This study investigates whether Physically Recurrent Neural Networks (PRNNs), a recent surrogate model for heterogeneous materials, trained on a micromodel with fixed material parameters, can maintain accuracy for varying material…

Disordered Systems and Neural Networks · Physics 2025-04-17 N. Kovács , I. B. C. M. Rocha , F. P. van der Meer , C. Furtado , P. P. Camanho

Temporal Graph Neural Networks (TGNNs) are pivotal in processing dynamic graphs. However, existing TGNNs primarily target one-time predictions for a given temporal span, whereas many practical applications require continuous predictions,…

Machine Learning · Computer Science 2026-02-16 Zulun Zhu , Siqiang Luo

Graph Neural Networks (GNNs) are powerful machine learning prediction models on graph-structured data. However, GNNs lack rigorous uncertainty estimates, limiting their reliable deployment in settings where the cost of errors is…

Machine Learning · Computer Science 2023-11-01 Kexin Huang , Ying Jin , Emmanuel Candès , Jure Leskovec

The widespread use of Deep Neural Networks (DNNs) has recently resulted in their application to challenging scientific visualization tasks. While advanced DNNs demonstrate impressive generalization abilities, understanding factors like…

Graphics · Computer Science 2024-08-13 Atul Kumar , Siddharth Garg , Soumya Dutta

In this work we consider a class of uncertainty quantification problems where the system performance or reliability is characterized by a scalar parameter $y$. The performance parameter $y$ is random due to the presence of various sources…

Numerical Analysis · Mathematics 2016-07-20 Keyi Wu , Jinglai Li

Accurate prediction of cerebral blood flow is essential for the diagnosis and treatment of cerebrovascular diseases. Traditional computational methods, however, often incur significant computational costs, limiting their practicality in…

Image and Video Processing · Electrical Eng. & Systems 2024-11-28 Seungyeon Kim , Wheesung Lee , Sung-Ho Ahn , Do-Eun Lee , Tae-Rin Lee

Cantilevered elastic foils can undergo self-induced, large-amplitude flapping when subject to fluid flow, a widely observed phenomenon of fluid-structure interaction, from fluttering leaves or the movement of fish fins. When harnessed in…

Fluid Dynamics · Physics 2025-12-01 Aarshana R. Parekh , Rui Gao , Rajeev K. Jaiman

Image-based computational fluid dynamics (CFD) modeling enables derivation of hemodynamic information, which has become a paradigm in cardiovascular research and healthcare. Nonetheless, the predictive accuracy largely depends on precisely…

Fluid Dynamics · Physics 2021-07-20 Han Gao , Xueyu Zhu , Jian-Xun Wang

In this paper we introduce a novel way of estimating prediction uncertainty in deep networks through the use of uncertainty surrogates. These surrogates are features of the penultimate layer of a deep network that are forced to match…

Machine Learning · Computer Science 2021-04-19 Radhakrishna Achanta , Natasa Tagasovska

Efficiently predicting the flowfield and load in aerodynamic shape optimisation remains a highly challenging and relevant task. Deep learning methods have been of particular interest for such problems, due to their success for solving…

Fluid Dynamics · Physics 2021-06-16 Li-Wei Chen , Berkay Alp Cakal , Xiangyu Hu , Nils Thuerey

Recently, the incorporation of both temporal features and the correlation across time series has become an effective approach in time series prediction. Spatio-Temporal Graph Neural Networks (STGNNs) demonstrate good performance on many…

Machine Learning · Computer Science 2024-07-29 Wenbo Yan , Ying Tan

Spiking neural networks (SNNs) have gained attention as models of sparse and event-driven communication of biological neurons, and as such have shown increasing promise for energy-efficient applications in neuromorphic hardware. As with…

Neural and Evolutionary Computing · Computer Science 2023-12-08 Tao Sun , Bojian Yin , Sander Bohte

Parametric reduced-order modelling often serves as a surrogate method for hemodynamics simulations to improve the computational efficiency in many-query scenarios or to perform real-time simulations. However, the snapshots of the method…

Computational Engineering, Finance, and Science · Computer Science 2023-10-24 Dongwei Ye , Valeria Krzhizhanovskaya , Alfons G. Hoekstra

Solving flow through porous media is a crucial step in the topology optimisation of cold plates, a key component in modern thermal management. Traditional computational fluid dynamics (CFD) methods, while accurate, are often prohibitively…

Fluid Dynamics · Physics 2026-03-10 Jinhong Wang , Matei C. Ignuta-Ciuncanu , Ricardo F. Martinez-Botas , Teng Cao

Soil and groundwater contamination is a pervasive problem at thousands of locations across the world. Contaminated sites often require decades to remediate or to monitor natural attenuation. Climate change exacerbates the long-term site…

Accurate traffic flow forecasting is a crucial research topic in transportation management. However, it is a challenging problem due to rapidly changing traffic conditions, high nonlinearity of traffic flow, and complex spatial and temporal…

Machine Learning · Computer Science 2024-06-06 Sanghyun Lee , Chanyoung Park
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