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Uncertainty estimation for unlabeled data is crucial to active learning. With a deep neural network employed as the backbone model, the data selection process is highly challenging due to the potential over-confidence of the model…

Machine Learning · Computer Science 2024-02-14 Xingjian Li , Pengkun Yang , Yangcheng Gu , Xueying Zhan , Tianyang Wang , Min Xu , Chengzhong Xu

Uncertainty quantification is at the core of the reliability and robustness of machine learning. In this paper, we provide a theoretical framework to dissect the uncertainty, especially the \textit{epistemic} component, in deep learning…

Machine Learning · Computer Science 2023-06-21 Ziyi Huang , Henry Lam , Haofeng Zhang

Learning in uncertain, noisy, or adversarial environments is a challenging task for deep neural networks (DNNs). We propose a new theoretically grounded and efficient approach for robust learning that builds upon Bayesian estimation and…

Machine Learning · Computer Science 2021-11-12 Giuseppina Carannante , Dimah Dera , Ghulam Rasool , Nidhal C. Bouaynaya , Lyudmila Mihaylova

Simulating complex physical systems often involves solving partial differential equations (PDEs) with some closures due to the presence of multi-scale physics that cannot be fully resolved. Therefore, reliable and accurate closure models…

Computational Physics · Physics 2020-02-19 Jin-Long Wu , Karthik Kashinath , Adrian Albert , Dragos Chirila , Prabhat , Heng Xiao

Physics-informed neural networks (PINNs) have emerged as a powerful paradigm for solving partial differential equations (PDEs) by embedding physical laws directly into neural network training. However, solving high-fidelity PDEs remains…

Machine Learning · Computer Science 2026-02-03 Olaf Yunus Laitinen Imanov

Popular approaches for quantifying predictive uncertainty in deep neural networks often involve distributions over weights or multiple models, for instance via Markov Chain sampling, ensembling, or Monte Carlo dropout. These techniques…

Machine Learning · Computer Science 2023-03-08 Dennis Ulmer , Christian Hardmeier , Jes Frellsen

The numerical solution of differential equations using neural networks has become a central topic in scientific computing, with Physics-Informed Neural Networks (PINNs) emerging as a powerful paradigm for both forward and inverse problems.…

Machine Learning · Computer Science 2026-01-28 Kazuaki Tanaka , Kohei Yatabe

While Deep Neural Networks (DNNs) achieve state-of-the-art accuracy in various applications, they often fall short in accurately estimating their predictive uncertainty and, in turn, fail to recognize when these predictions may be wrong.…

Machine Learning · Computer Science 2020-07-22 Ankur Mallick , Chaitanya Dwivedi , Bhavya Kailkhura , Gauri Joshi , T. Yong-Jin Han

Currently, deep neural networks are deployed on low-power portable devices by first training a full-precision model using powerful hardware, and then deriving a corresponding low-precision model for efficient inference on such systems.…

Machine Learning · Computer Science 2017-11-15 Hao Li , Soham De , Zheng Xu , Christoph Studer , Hanan Samet , Tom Goldstein

The observation and description of collective excitations in solids is a fundamental issue when seeking to understand the physics of a many-body system. Analysis of these excitations is usually carried out by measuring the dynamical…

Data-based discovery of effective, coarse-grained (CG) models of high-dimensional dynamical systems presents a unique challenge in computational physics and particularly in the context of multiscale problems. The present paper offers a…

Computational Physics · Physics 2020-08-26 Sebastian Kaltenbach , Phaedon-Stelios Koutsourelakis

Representations of the world environment play a crucial role in artificial intelligence. It is often inefficient to conduct reasoning and inference directly in the space of raw sensory representations, such as pixel values of images.…

Machine Learning · Computer Science 2022-04-12 Kenji Kawaguchi , Linjun Zhang , Zhun Deng

This paper introduces for the first time, to our knowledge, a framework for physics-informed neural networks in power system applications. Exploiting the underlying physical laws governing power systems, and inspired by recent developments…

Systems and Control · Electrical Eng. & Systems 2020-01-30 George S. Misyris , Andreas Venzke , Spyros Chatzivasileiadis

It is critical that the models pay attention not only to accuracy but also to the certainty of prediction. Uncertain predictions of deep models caused by noisy data raise significant concerns in trustworthy AI areas. To explore and handle…

Machine Learning · Computer Science 2023-03-30 Wei Wei , Jiahuan Zhou , Hongze Li , Ying Wu

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

Singularly perturbed partial differential equations arise in many applications, including magnetohydrodynamic duct flows, chemical reaction transport systems, and Poisson Boltzmann electrostatics. These problems are characterized by sharp…

Numerical Analysis · Mathematics 2026-04-01 Wei-Fan Hu , Shi-Xiang Zhong , Po-Wen Hsieh , Chung-Kai Chen , Te-Sheng Lin

When neural networks are trained from data to simulate the dynamics of physical systems, they encounter a persistent challenge: the long-time dynamics they produce are often unphysical or unstable. We analyze the origin of such…

Machine Learning · Computer Science 2024-06-21 Daniel Floryan

Image reconstruction methods based on deep neural networks have shown outstanding performance, equalling or exceeding the state-of-the-art results of conventional approaches, but often do not provide uncertainty information about the…

Computer Vision and Pattern Recognition · Computer Science 2020-12-01 Riccardo Barbano , Željko Kereta , Chen Zhang , Andreas Hauptmann , Simon Arridge , Bangti Jin

Existing methods for estimating uncertainty in deep learning tend to require multiple forward passes, making them unsuitable for applications where computational resources are limited. To solve this, we perform probabilistic reasoning over…

Machine Learning · Statistics 2020-12-08 Javier Antorán , James Urquhart Allingham , José Miguel Hernández-Lobato

Chaotic systems, such as turbulent flows, are ubiquitous in science and engineering. However, their study remains a challenge due to the large range scales, and the strong interaction with other, often not fully understood, physics. As a…