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With the increased prevalence of neural operators being used to provide rapid solutions to partial differential equations (PDEs), understanding the accuracy of model predictions and the associated error levels is necessary for deploying…

Machine Learning · Computer Science 2026-02-26 Nick Winovich , Mitchell Daneker , Lu Lu , Guang Lin

Partial differential equations (PDEs) are fundamental for theoretically describing numerous physical processes that are based on some input fields in spatial configurations. Understanding the physical process, in general, requires…

Numerical Analysis · Mathematics 2020-10-16 Mahadevan Ganesh , Stuart C Hawkins , Alexandre Tartakovsky , Ramakrishna Tipireddy

Vision-Language Models (VLMs) with their multimodal capabilities have demonstrated remarkable success in almost all domains, including education, transportation, healthcare, energy, finance, law, and retail. Nevertheless, the utilization of…

Machine Learning · Computer Science 2026-03-05 Betul Yurdem , Ferhat Ozgur Catak , Murat Kuzlu , Mehmet Kemal Gullu

Epistemic uncertainty quantification (UQ) identifies where models lack knowledge. Traditional UQ methods, often based on Bayesian neural networks, are not suitable for pre-trained non-Bayesian models. Our study addresses quantifying…

Machine Learning · Computer Science 2024-04-17 Hanjing Wang , Qiang Ji

A physics-constrained deep learning surrogate that predicts the exponential ``avalanche'' growth rate of runaway electrons (REs) for a plasma containing partially ionized impurities is developed. Specifically, a physics-informed neural…

Plasma Physics · Physics 2025-04-16 Jonathan S. Arnaud , Xian-Zhu Tang , Christopher J. McDevitt

Constructing surrogate models for uncertainty quantification (UQ) on complex partial differential equations (PDEs) having inherently high-dimensional $\mathcal{O}(10^{\ge 2})$ stochastic inputs (e.g., forcing terms, boundary conditions,…

Machine Learning · Computer Science 2022-05-27 Katiana Kontolati , Dimitrios Loukrezis , Dimitris G. Giovanis , Lohit Vandanapu , Michael D. Shields

Uncertainty quantification (UQ) is vital for ensuring that vision-language models (VLMs) behave safely and reliably. A central challenge is to localize uncertainty to its source, determining whether it arises from the image, the text, or…

Computer Vision and Pattern Recognition · Computer Science 2026-02-11 Chenyu Wang , Tianle Chen , H. M. Sabbir Ahmad , Kayhan Batmanghelich , Wenchao Li

We present a new, for plasma physics, highly efficient multilevel Monte Carlo numerical method for simulating Coulomb collisions. The method separates and optimally minimizes the finite-timestep and finite-sampling errors inherent in the…

Plasma Physics · Physics 2015-08-12 M. S. Rosin , L. F. Ricketson , A. M. Dimits , R. E. Caflisch , B. I. Cohen

Surrogate modeling is used to replace computationally expensive simulations. Neural networks have been widely applied as surrogate models that enable efficient evaluations over complex physical systems. Despite this, neural networks are…

Machine Learning · Computer Science 2024-02-13 Hao Chen , Gonzalo E. Constante Flores , Can Li

The goal of this paper is to demonstrate and address challenges related to all aspects of performing a complete uncertainty quantification analysis of a complicated physics-based simulation like a 2D slab burner direct numerical simulation…

Variational quantum algorithms (VQAs) are leading strategies to reach practical utilities of near-term quantum devices. However, the no-cloning theorem in quantum mechanics precludes standard backpropagation, leading to prohibitive quantum…

Quantum Physics · Physics 2025-09-26 Yiming Huang , Yajie Hao , Jing Zhou , Xiao Yuan , Xiaoting Wang , Yuxuan Du

Many real-world applications demand accurate and fast predictions, as well as reliable uncertainty estimates. However, quantifying uncertainty on high-dimensional predictions is still a severely under-investigated problem, especially when…

Computational Engineering, Finance, and Science · Computer Science 2025-02-04 Saurabh Deshpande , Hussein Rappel , Mark Hobbs , Stéphane P. A. Bordas , Jakub Lengiewicz

Tensor data, or multi-dimensional arrays, is a data format popular in multiple fields such as social network analysis, recommender systems, and brain imaging. It is not uncommon to observe tensor data containing missing values, and tensor…

Methodology · Statistics 2025-09-09 Hu Sun , Yang Chen

Neural networks (NNs) often assign high confidence to their predictions, even for points far out-of-distribution, making uncertainty quantification (UQ) a challenge. When they are employed to model interatomic potentials in materials…

Machine Learning · Computer Science 2023-12-27 Aik Rui Tan , Shingo Urata , Samuel Goldman , Johannes C. B. Dietschreit , Rafael Gómez-Bombarelli

Machine learning interatomic potentials (MLIPs) are promising surrogates for quantum mechanics evaluations in ab-initio molecular dynamics simulations due to their ability to reproduce the energy and force landscape within chemical accuracy…

Materials Science · Physics 2023-08-31 Emil Annevelink , Venkatasubramanian Viswanathan

We propose a novel \textit{capsule} based deep encoder-decoder model for surrogate modeling and uncertainty quantification of systems in mechanics from sparse data. The proposed framework is developed by adapting Capsule Network (CapsNet)…

Machine Learning · Statistics 2022-01-20 Akshay Thakur , Souvik Chakraborty

Traditional physics-based models of geophysical flows, such as debris flows and landslides that pose significant risks to human lives and infrastructure are computationally expensive, limiting their utility for large-scale parameter sweeps,…

Fluid Dynamics · Physics 2025-04-11 Palak Patel , Luke McGuire , Abani Patra

Despite the popularity of Convolutional Neural Networks (CNN), the problem of uncertainty quantification (UQ) of CNN has been largely overlooked. Lack of efficient UQ tools severely limits the application of CNN in certain areas, such as…

Machine Learning · Computer Science 2026-04-15 Hongfei Du , Emre Barut , Fang Jin

Machine-learned potentials (MLPs) have revolutionized materials discovery by providing accurate and efficient predictions of molecular and material properties. Graph Neural Networks (GNNs) have emerged as a state-of-the-art approach due to…

Machine Learning · Computer Science 2025-04-18 Tirtha Vinchurkar , Kareem Abdelmaqsoud , John R. Kitchin

Machine learning (ML) surrogate models are increasingly used in engineering analysis and design to replace computationally expensive simulation models, significantly reducing computational cost and accelerating decision-making processes.…

Machine Learning · Statistics 2025-07-22 Xiaoping Du
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