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Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near first-principles accuracy at substantially reduced computational cost, making them powerful tools for large-scale materials modeling. The accuracy of…

Materials Science · Physics 2025-08-11 Yonatan Kurniawan , Mingjian Wen , Ellad B. Tadmor , Mark K. Transtrum

Although Convolutional Neural Networks (CNNs) have achieved promising results in image classification, they still are vulnerable to affine transformations including rotation, translation, flip and shuffle. The drawback motivates us to…

Computer Vision and Pattern Recognition · Computer Science 2023-12-14 Zijie Tan , Guanfang Dong , Chenqiu Zhao , Anup Basu

Uncertainty quantification for Particle Image Velocimetry (PIV) is critical for comparing flow fields with Computational Fluid Dynamics (CFD) results, and model design and validation. However, PIV features a complex measurement chain with…

Fluid Dynamics · Physics 2021-07-07 Lalit K. Rajendran , Sayantan Bhattacharya , Sally P. M. Bane , Pavlos P. Vlachos

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

The topic of deep learning has seen a surge of interest in recent years both within and outside of the field of Statistics. Deep models leverage both nonlinearity and interaction effects to provide superior predictions in many cases when…

Methodology · Statistics 2020-09-18 Paul A. Parker , Scott H. Holan

We present DeepFDM, a differentiable finite-difference framework for learning spatially varying coefficients in time-dependent partial differential equations (PDEs). By embedding a classical forward-Euler discretization into a convolutional…

Numerical Analysis · Mathematics 2025-07-30 Patrick Chatain , Michael Rizvi-Martel , Guillaume Rabusseau , Adam Oberman

This work presents a probabilistic deep neural network that combines LiDAR point clouds and RGB camera images for robust, accurate 3D object detection. We explicitly model uncertainties in the classification and regression tasks, and…

Robotics · Computer Science 2020-02-04 Di Feng , Yifan Cao , Lars Rosenbaum , Fabian Timm , Klaus Dietmayer

Uncertainty quantification is central to safe and efficient deployments of deep learning models, yet many computationally practical methods lack lacking rigorous theoretical motivation. Random network distillation (RND) is a lightweight…

Machine Learning · Computer Science 2026-02-27 Moritz A. Zanger , Yijun Wu , Pascal R. Van der Vaart , Wendelin Böhmer , Matthijs T. J. Spaan

Learning-based approaches to verifying unknown Markov decision processes (MDPs) often employ uncertain MDPs. These models use, for example, confidence intervals to capture transition uncertainty and allow synthesis of policies that are…

Machine Learning · Computer Science 2026-05-05 Yannik Schnitzer , Alessandro Abate , David Parker

Data-driven visual odometry (VO) is a critical subroutine for autonomous edge robotics, and recent progress in the field has produced highly accurate point predictions in complex environments. However, emerging autonomous edge robotics…

Computer Vision and Pattern Recognition · Computer Science 2023-03-07 Alex C. Stutts , Danilo Erricolo , Theja Tulabandhula , Amit Ranjan Trivedi

The great success of deep learning (DL) has inspired researchers to develop more accurate and efficient symbol detectors for multi-input multi-output (MIMO) systems. Existing DL-based MIMO detectors, however, suffer several drawbacks. To…

Information Theory · Computer Science 2022-01-12 Qian Wan , Jun Fang , Yinsen Huang , Huiping Duan , Hongbin Li

This study aims to improve the spatial representation of uncertainties when regressing surface wind speeds from large-scale atmospheric predictors for sub-seasonal forecasting. Sub-seasonal forecasting often relies on large-scale…

Machine Learning · Computer Science 2025-10-21 Ganglin Tian , Anastase Alexandre Charantonis , Camille Le Coz , Alexis Tantet , Riwal Plougonven

Deep learning models have gained increasing adoption in medical image analysis. However, these models often produce overconfident predictions, which can compromise clinical accuracy and reliability. Bridging the gap between high-performance…

Image and Video Processing · Electrical Eng. & Systems 2026-03-24 Jutika Borah , Hidam Kumarjit Singh

We develop a novel deep learning method for uncertainty quantification in stochastic partial differential equations based on Bayesian neural network (BNN) and Hamiltonian Monte Carlo (HMC). A BNN efficiently learns the posterior…

Machine Learning · Statistics 2022-10-24 Jeahan Jung , Minseok Choi

We propose an approximate Bayesian method for quantifying the total uncertainty in inverse PDE solutions obtained with machine learning surrogate models, including operator learning models. The proposed method accounts for uncertainty in…

Machine Learning · Computer Science 2024-08-22 Yuanzhe Wang , Alexandre M. Tartakovsky

We introduce the so called DeepParticle method to learn and generate invariant measures of stochastic dynamical systems with physical parameters based on data computed from an interacting particle method (IPM). We utilize the expressiveness…

Machine Learning · Computer Science 2022-06-22 Zhongjian Wang , Jack Xin , Zhiwen Zhang

Deep learning models frequently make incorrect predictions with high confidence when presented with test examples that are not well represented in their training dataset. We propose a novel and straightforward approach to estimate…

Machine Learning · Computer Science 2019-10-04 Tiago Ramalho , Miguel Miranda

Generative diffusion models, notable for their large parameter count (exceeding 100 million) and operation within high-dimensional image spaces, pose significant challenges for traditional uncertainty estimation methods due to computational…

Computer Vision and Pattern Recognition · Computer Science 2024-06-28 Lucas Berry , Axel Brando , David Meger

We propose a hybrid physics-informed machine learning framework to approximate invariant manifolds (IMs) of discrete-time dynamical systems driven by exogenous autonomous dynamics (exosystems). Such systems appear in applications ranging…

Uncertainty quantification methods are required in autonomous systems that include deep learning (DL) components to assess the confidence of their estimations. However, to successfully deploy DL components in safety-critical autonomous…

Robotics · Computer Science 2021-11-02 Fabio Arnez , Huascar Espinoza , Ansgar Radermacher , François Terrier
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