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Numerical models of complex real-world phenomena often necessitate High Performance Computing (HPC). Uncertainties increase problem dimensionality further and pose even greater challenges. We present a parallelization strategy for…

Mathematical Software · Computer Science 2021-08-02 Linus Seelinger , Anne Reinarz , Leonhard Rannabauer , Michael Bader , Peter Bastian , Robert Scheichl

Reliable uncertainty quantification (UQ) is essential for developing machine-learned interatomic potentials (MLIPs) in predictive atomistic simulations. Conformal prediction (CP) is a statistical framework that constructs prediction…

Chemical Physics · Physics 2025-10-02 Cheuk Hin Ho , Christoph Ortner , Yangshuai Wang

Uncertainty Quantification (UQ) is receiving more and more attention for engineering applications in particular from robust optimization. Indeed, running a computer experiment only provides a limited knowledge in terms of uncertainty and…

Stress and material deformation field predictions are among the most important tasks in computational mechanics. These predictions are typically made by solving the governing equations of continuum mechanics using finite element analysis,…

Machine Learning · Statistics 2024-06-24 George D. Pasparakis , Lori Graham-Brady , Michael D. Shields

In multi-objective design tasks, the computational cost increases rapidly when high-fidelity simulations are used to evaluate objective functions. Surrogate models help mitigate this cost by approximating the simulation output, simplifying…

Applications · Statistics 2025-06-03 Omer F. Erdem , David P. Broughton , Josef Svoboda , Chengkun Huang , Majdi I. Radaideh

Physics-informed neural networks (PINNs) provide a framework to build surrogate models for dynamical systems governed by differential equations. During the learning process, PINNs incorporate a physics-based regularization term within the…

Machine Learning · Computer Science 2023-08-14 Shinjan Ghosh , Amit Chakraborty , Georgia Olympia Brikis , Biswadip Dey

A problem of considerable importance within the field of uncertainty quantification (UQ) is the development of efficient methods for the construction of accurate surrogate models. Such efforts are particularly important to applications…

Computational Physics · Physics 2019-03-01 Rohit Tripathy , Ilias Bilionis

Neural networks are a commonly used approach to replace physical models with computationally cheap surrogates. Parametric uncertainty quantification can be included in training, assuming that an accurate prior distribution of the model…

Machine Learning · Computer Science 2026-03-12 Heikki Haario , Zhi-Song Liu , Martin Simon , Hendrik Weichel

The Vlasov-Poisson system is employed in its reduced form version (1D1V) as a test bed for the applicability of Physics Informed Neural Network (PINN) to the wave-particle resonance. Two examples are explored: the Landau damping and the…

Computational Physics · Physics 2023-08-25 Jai Kumar , David Zarzoso , Virginie Grandgirard , Jan Ebert , Stefan Kesselheim

We propose a hybrid framework opPINN: physics-informed neural network (PINN) with operator learning for approximating the solution to the Fokker-Planck-Landau (FPL) equation. The opPINN framework is divided into two steps: Step 1 and Step…

Numerical Analysis · Mathematics 2023-03-22 Jae Yong Lee , Juhi Jang , Hyung Ju Hwang

High-dimensional tensor data often exhibit strong temporal correlations that appear as low-dimensional structures in the frequency domain. While the low-tubal-rank tensor model effectively captures these spectral features, making it…

Methodology · Statistics 2026-04-14 Jiuqian Shang , Jingyang Li , Yang Chen

Predicting fuel assembly bow in pressurized water reactors requires solving tightly coupled fluid-structure interaction problems, whose direct simulations can be computationally prohibitive, making large-scale uncertainty quantification…

Applications · Statistics 2026-01-27 Ali Abboud , Josselin Garnier , Bertrand Leturcq , Stanislas de Lambert

This paper introduces Quantum Orthogonal Separable Physics-Informed Neural Networks (QO-SPINNs), a novel architecture for solving Partial Differential Equations, integrating quantum computing principles to address the computational…

Quantum Physics · Physics 2025-11-18 Pietro Zanotta , Ljubomir Budinski , Caglar Aytekin , Valtteri Lahtinen

Neural networks and machine learning models for uncertainty quantification suffer from limited scalability and poor reliability compared to their deterministic counterparts. In industry-scale active learning settings, where generating a…

Numerical Analysis · Mathematics 2026-02-12 Chanwook Park , Brian Kim , Jiachen Guo , Wing Kam Liu

The equilibrium reconstruction of plasma is a core step in real-time diagnostic tasks in fusion research. This paper explores a multi-stage Physics-Informed Neural Networks(PINNs) approach to solve the Grad-Shafranov equation, achieving…

Plasma Physics · Physics 2025-07-23 Cuizhi Zhou , Kaien Zhu

Quantum state tomography (QST) faces exponential measurement requirements and noise sensitivity in multi-qubit systems, bottlenecking practical quantum technologies. We present a physics-informed neural network (PINN) framework integrating…

Quantum Physics · Physics 2025-12-17 Changchun Feng , Laifa Tao , Lin Chen

A key bottleneck in quantum machine learning is the computational cost of repeated quantum circuit evaluations during the inference phase. To address this, we present a framework for constructing fast, cheap, provably accurate classical…

Quantum Physics · Physics 2026-04-29 Sreeraj Rajindran Nair , Christopher Ferrie

The Vlasov-Poisson-Fokker-Planck (VPFP) system is a fundamental model in plasma physics that describes the Brownian motion of a large ensemble of particles within a surrounding bath. Under the high-field scaling, both collision and field…

Numerical Analysis · Mathematics 2023-08-11 Shi Jin , Zheng Ma , Tian-ai Zhang

Reliable, informative, and individual uncertainty quantification (UQ) remains missing in current ML community. This hinders the effective application of AI/ML to risk-sensitive domains. Most methods either fail to provide coverage on new…

Machine Learning · Computer Science 2025-10-20 Amitesh Badkul , Lei Xie

Turbulent flows play an important role in many scientific and technological design problems. Both Sub-Grid Scale (SGS) models in Large Eddy Simulations (LES) and Reynolds Averaged Navier Stokes (RANS) based modeling will require turbulence…

Fluid Dynamics · Physics 2024-07-16 Minghan Chu