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Uncertainty quantification (UQ) tasks, such as sensitivity analysis and parameter estimation, entail a huge computational complexity when dealing with input-output maps involving the solution of nonlinear differential problems, because of…

Numerical Analysis · Mathematics 2023-02-17 Ludovica Cicci , Stefania Fresca , Mengwu Guo , Andrea Manzoni , Paolo Zunino

Deep learning-based reduced order models (DL-ROMs) have been recently proposed to overcome common limitations shared by conventional reduced order models (ROMs) - built, e.g., through proper orthogonal decomposition (POD) - when applied to…

Numerical Analysis · Mathematics 2021-11-03 Stefania Fresca , Andrea Manzoni

Robust uncertainty quantification (UQ) remains a critical barrier to the safe deployment of deep learning in real-time virtual sensing, particularly in high-stakes domains where sparse, noisy, or non-collocated sensor data are the norm. We…

Machine Learning · Computer Science 2025-07-17 Kazuma Kobayashi , Shailesh Garg , Farid Ahmed , Souvik Chakraborty , Syed Bahauddin Alam

We propose a non-intrusive Deep Learning-based Reduced Order Model (DL-ROM) capable of capturing the complex dynamics of mechanical systems showing inertia and geometric nonlinearities. In the first phase, a limited number of high fidelity…

Numerical Analysis · Mathematics 2021-11-25 Stefania Fresca , Giorgio Gobat , Patrick Fedeli , Attilio Frangi , Andrea Manzoni

Reduced Order Modelling (ROM) has been widely used to create lower order, computationally inexpensive representations of higher-order dynamical systems. Using these representations, ROMs can efficiently model flow fields while using…

Fluid Dynamics · Physics 2021-10-13 Pranshu Pant , Ruchit Doshi , Pranav Bahl , Amir Barati Farimani

The design of next-generation alloys through the Integrated Computational Materials Engineering (ICME) approach relies on multi-scale computer simulations to provide thermodynamic properties when experiments are difficult to conduct.…

Multifidelity forward uncertainty quantification (UQ) problems often involve multiple quantities of interest and heterogeneous models (e.g., different grids, equations, dimensions, physics, surrogate and reduced-order models). While…

Numerical Analysis · Mathematics 2023-06-26 M. Croci , K. E. Willcox , S. J. Wright

In this work, we focus on reduced order modeling (ROM) techniques for hyperbolic conservation laws with application in uncertainty quantification (UQ) and in conjunction with the well-known Monte Carlo sampling method. Because we are…

Numerical Analysis · Mathematics 2018-08-13 R. Crisovan , D. Torlo , R. Abgrall , S. Tokareva

We study the application of a quasi-Monte Carlo (QMC) method to a class of semi-linear parabolic reaction-diffusion partial differential equations used to model tumor growth. Mathematical models of tumor growth are largely phenomenological…

Numerical Analysis · Mathematics 2026-02-23 Alexander D. Gilbert , Frances Y. Kuo , Dirk Nuyens , Graham Pash , Ian H. Sloan , Karen E. Willcox

The development of machine learning (ML) methods has made quantum chemistry (QC) calculations more accessible by reducing the compute cost incurred in conventional QC methods. This has since been translated into the overhead cost of…

Chemical Physics · Physics 2025-03-26 Vivin Vinod , Peter Zaspel

The deployment of deep neural networks in safety-critical systems necessitates reliable and efficient uncertainty quantification (UQ). A practical and widespread strategy for UQ is repurposing stochastic regularizers as scalable approximate…

Machine Learning · Computer Science 2026-04-15 Adam T. Müller , Tobias Rögelein , Nicolaj C. Stache

Ice sheet simulations suffer from vast parametric uncertainties, such as the basal sliding boundary condition or geothermal heat flux. Quantifying the resulting uncertainties in predictions is of utmost importance to support judicious…

Geophysics · Physics 2024-12-10 Nicole Aretz , Max Gunzburger , Mathieu Morlighem , Karen Willcox

Recent advances in objective-based uncertainty quantification (objective-UQ) have shown that such a goal-driven approach for quantifying model uncertainty is extremely useful in real-world problems that aim at achieving specific objectives…

Optimization and Control · Mathematics 2021-12-10 Hyun-Myung Woo , Youngjoon Hong , Bongsuk Kwon , Byung-Jun Yoon

Recent developments in deep learning have made remarkable progress in speeding up the prediction of quantum chemical (QC) properties by removing the need for expensive electronic structure calculations like density functional theory.…

Chemical Physics · Physics 2023-07-10 Shuqi Lu , Zhifeng Gao , Di He , Linfeng Zhang , Guolin Ke

This work focuses on the space-time reduced-order modeling (ROM) method for solving large-scale uncertainty quantification (UQ) problems with multiple random coefficients. In contrast with the traditional space ROM approach, which performs…

Numerical Analysis · Mathematics 2021-11-15 Ruhui Jin , Francesco Rizzi , Eric Parish

In this work we introduce a manifold learning-based method for uncertainty quantification (UQ) in systems describing complex spatiotemporal processes. Our first objective is to identify the embedding of a set of high-dimensional data…

Data Analysis, Statistics and Probability · Physics 2022-05-18 Katiana Kontolati , Dimitrios Loukrezis , Ketson R. M. dos Santos , Dimitrios G. Giovanis , Michael D. Shields

Determinant Quantum Monte Carlo (DQMC) provides numerically exact solutions for strongly correlated fermionic systems but faces significant computational challenges with increasing system size. While submatrix updates were originally…

Strongly Correlated Electrons · Physics 2025-02-19 Fanjie Sun , Xiao Yan Xu

Deep learning has been shown to be highly effective for automatic modulation classification (AMC), which is a pivotal technology for next-generation cognitive communications. Yet, existing deep learning methods for AMC often lack robust…

Signal Processing · Electrical Eng. & Systems 2025-12-03 Huian Yang , Rajeev Sahay

This paper considers the problem of optimizing the average tracking error for an elliptic partial differential equation with an uncertain lognormal diffusion coefficient. In particular, the application of the multilevel quasi-Monte Carlo…

Numerical Analysis · Mathematics 2021-09-30 Philipp A. Guth , Andreas Van Barel

The hybrid neural differentiable models mark a significant advancement in the field of scientific machine learning. These models, integrating numerical representations of known physics into deep neural networks, offer enhanced predictive…

Machine Learning · Computer Science 2024-01-02 Deepak Akhare , Tengfei Luo , Jian-Xun Wang