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Accurately estimating uncertainties in neural network predictions is of great importance in building trusted DNNs-based models, and there is an increasing interest in providing accurate uncertainty estimation on many tasks, such as security…

Machine Learning · Computer Science 2020-07-14 Yukun Ding , Jinglan Liu , Jinjun Xiong , Yiyu Shi

Solid aggregates in turbulent suspensions may break under the action of shear stresses. We explore the use of Graph Neural Networks (GNN) to infer aggregate fragmentation once the aggregate structure and flow velocity gradients are known.…

Force chains, which are quasi-linear self-organised structures carrying large stresses, are ubiquitous in jammed amorphous materials, such as granular materials, foams, emulsions or even assemblies of cells. Predicting where they will form…

Soft Condensed Matter · Physics 2022-08-24 Rituparno Mandal , Corneel Casert , Peter Sollich

Quantification of uncertainty in production/injection forecasting is an important aspect of reservoir simulation studies. Conventional approaches include intrusive Galerkin-based methods (e.g., generalized polynomial chaos (gPC) and…

Optimization and Control · Mathematics 2019-07-02 Larry Jin , Hannah Lu , Gege Wen

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

Machine Learning · Statistics 2021-12-17 Sujay Thakur , Cooper Lorsung , Yaniv Yacoby , Finale Doshi-Velez , Weiwei Pan

We propose a deep neural network (DNN) as a fast surrogate model for local stress (and in principle strain) calculation in inhomogeneous non-linear material systems. We show that the DNN predicts the local stresses with about 3.8% mean…

Materials Science · Physics 2021-03-17 Jaber Rezaei Mianroodi , Nima H. Siboni , Dierk Raabe

Graph neural networks have re-defined how we model and predict on network data but there lacks a consensus on choosing the correct underlying graph structure on which to model signals. CoVariance Neural Networks (VNN) address this issue by…

Machine Learning · Computer Science 2026-03-25 Om Roy , Yashar Moshfeghi , Keith Smith

Training a deep neural network (DNN) often involves stochastic optimization, which means each run will produce a different model. Several works suggest this variability is negligible when models have the same performance, which in the case…

Machine Learning · Statistics 2023-10-03 Sinjini Banerjee , Reilly Cannon , Tim Marrinan , Tony Chiang , Anand D. Sarwate

Deep neural networks (DNN) have been used successfully in many scientific problems for their high prediction accuracy, but their application to genetic studies remains challenging due to their poor interpretability. In this paper, we…

Machine Learning · Computer Science 2021-10-01 Peyman H. Kassani , Fred Lu , Yann Le Guen , Zihuai He

The wide adoption of Convolutional Neural Networks (CNNs) in applications where decision-making under uncertainty is fundamental, has brought a great deal of attention to the ability of these models to accurately quantify the uncertainty in…

Machine Learning · Statistics 2018-05-29 Gia-Lac Tran , Edwin V. Bonilla , John P. Cunningham , Pietro Michiardi , Maurizio Filippone

Continuum mechanics simulators, numerically solving one or more partial differential equations, are essential tools in many areas of science and engineering, but their performance often limits application in practice. Recent modern machine…

Machine Learning · Computer Science 2021-06-10 Mario Lino , Chris Cantwell , Anil A. Bharath , Stathi Fotiadis

In recent years, neural networks have revolutionized various domains, yet challenges such as hyperparameter tuning and overfitting remain significant hurdles. Bayesian neural networks offer a framework to address these challenges by…

Machine Learning · Computer Science 2025-12-16 Hayk Amirkhanian , Marco F. Huber

We study methods for reconstructing Bayesian uncertainties on dynamical mass estimates of galaxy clusters using convolutional neural networks (CNNs). We discuss the statistical background of approximate Bayesian neural networks and…

Cosmology and Nongalactic Astrophysics · Physics 2021-03-16 Matthew Ho , Arya Farahi , Markus Michael Rau , Hy Trac

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Machine Learning · Computer Science 2023-09-25 Yuecheng Cai , Jasmin Jelovica

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

Machine Learning · Computer Science 2024-06-24 Max Wasserman , Gonzalo Mateos

Reliable predictive uncertainty estimation plays an important role in enabling the deployment of neural networks to safety-critical settings. A popular approach for estimating the predictive uncertainty of neural networks is to define a…

Machine Learning · Statistics 2023-12-29 Tim G. J. Rudner , Zonghao Chen , Yee Whye Teh , Yarin Gal

Complex turbulent flow simulations are an integral aspect of the engineering design process. The mainstay of these simulations is represented by eddy viscosity based turbulence models. Eddy viscosity models are computationally cheap due to…

Fluid Dynamics · Physics 2024-08-14 Minghan Chu , Weicheng Qian

Binary Neural Networks (BiNNs), which employ single-bit precision weights, have emerged as a promising solution to reduce memory usage and power consumption while maintaining competitive performance in large-scale systems. However, training…

Quantum Physics · Physics 2025-11-18 Luca Nepote , Alix Lhéritier , Nicolas Bondoux , Marios Kountouris , Maurizio Filippone

Graph convolutional neural networks (GCNNs) are nonlinear processing tools to learn representations from network data. A key property of GCNNs is their stability to graph perturbations. Current analysis considers deterministic perturbations…

Machine Learning · Computer Science 2021-06-22 Zhan Gao , Elvin Isufi , Alejandro Ribeiro

Although deep neural networks have demonstrated significant success due to their powerful expressiveness, most models struggle to meet practical requirements for uncertainty estimation. Concurrently, the entangled nature of deep neural…

Machine Learning · Computer Science 2025-05-29 Xinyue Hu , Zhibin Duan , Bo Chen , Mingyuan Zhou