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Gaussian process regression (GPR) has been a well-known machine learning method for various applications such as uncertainty quantifications (UQ). However, GPR is inherently a data-driven method, which requires sufficiently large dataset.…

Machine Learning · Computer Science 2023-05-03 Cheng Chang , Tieyong Zeng

The estimation of unknown values of parameters (or hidden variables, control variables) that characterise a physical system often relies on the comparison of measured data with synthetic data produced by some numerical simulator of the…

Machine Learning · Computer Science 2019-01-28 Xi Chen , Mike Hobson

This work presents a non-intrusive surrogate modeling scheme based on machine learning technology for predictive modeling of complex systems, described by parametrized time-dependent PDEs. For these problems, typical finite element…

Numerical Analysis · Mathematics 2021-04-26 Stefanos Nikolopoulos , Ioannis Kalogeris , Vissarion Papadopoulos

We build surrogate models for dynamic 3D subsurface single-phase flow problems with multiple vertical producing wells. The surrogate model provides efficient pressure estimation of the entire formation at any timestep given a stochastic…

Computational Engineering, Finance, and Science · Computer Science 2021-11-17 Rui Xu , Dongxiao Zhang , Nanzhe Wang

Deep learning techniques have been increasingly applied to the natural sciences, e.g., for property prediction and optimization or material discovery. A fundamental ingredient of such approaches is the vast quantity of labelled data needed…

Machine Learning · Computer Science 2022-08-24 Charlotte Loh , Thomas Christensen , Rumen Dangovski , Samuel Kim , Marin Soljacic

Structured prediction involves learning to predict complex structures rather than simple scalar values. The main challenge arises from the non-Euclidean nature of the output space, which generally requires relaxing the problem formulation.…

Machine Learning · Statistics 2024-11-19 Junjie Yang , Matthieu Labeau , Florence d'Alché-Buc

The automated construction of coarse-grained models represents a pivotal component in computer simulation of physical systems and is a key enabler in various analysis and design tasks related to uncertainty quantification. Pertinent methods…

Machine Learning · Statistics 2019-09-11 Constantin Grigo , Phaedon-Stelios Koutsourelakis

If sufficient training data are available, neural networks are attractive for representing missing physics in simulations, such as sub-grid scales in the coarse-mesh particle-turbulence system we consider. Physical constraints are known to…

Fluid Dynamics · Physics 2026-05-01 G. Saltar Rivera , L. Villafane , J. B. Freund

Since federated learning (FL) has been introduced as a decentralized learning technique with privacy preservation, statistical heterogeneity of distributed data stays the main obstacle to achieve robust performance and stable convergence in…

Machine Learning · Computer Science 2022-12-08 Yanhang Shi , Siguang Chen , Haijun Zhang

Uncertainty quantification in automated image analysis is highly desired in many applications. Typically, machine learning models in classification or segmentation are only developed to provide binary answers; however, quantifying the…

Turbulence Models represent the workhorse for simulations used in engineering design and analysis. Despite their low computational cost and robustness, these models suffer from substantial predictive uncertainty, most of which is epistemic.…

Fluid Dynamics · Physics 2025-09-05 Minghan Chu , Weicheng Qian

The availability of reliable, high-resolution climate and weather data is important to inform long-term decisions on climate adaptation and mitigation and to guide rapid responses to extreme events. Forecasting models are limited by…

We present a novel framework combining Deep Operator Networks (DeepONets) with Physics-Informed Neural Networks (PINNs) to solve partial differential equations (PDEs) and estimate their unknown parameters. By integrating data-driven…

Machine Learning · Computer Science 2025-08-05 Amogh Raj , Carol Eunice Gudumotou , Sakol Bun , Keerthana Srinivasa , Arash Sarshar

Supervised deep learning methods have been successful in the field of high energy physics, and the trend within the field is to move away from high level reconstructed variables to lower level, higher dimensional features. Supervised…

High Energy Physics - Phenomenology · Physics 2025-03-20 Samuel Klein , Matthew Leigh , Stephen Mulligan , Tobias Golling

Design and optimal control problems are among the fundamental, ubiquitous tasks we face in science and engineering. In both cases, we aim to represent and optimize an unknown (black-box) function that associates a performance/outcome to a…

Machine Learning · Computer Science 2021-10-27 Sifan Wang , Mohamed Aziz Bhouri , Paris Perdikaris

Physics-Informed Neural Networks (PINNs) combine deep learning with physical constraints for solving partial differential equations (PDEs), and are widely applied in fluid mechanics, heat transfer, and solid mechanics. However, PINN…

Machine Learning · Computer Science 2026-05-18 Xujia Chen , Xinyue Hu , Letian Chen , Daming Shi , Wenhui Fan

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 propose a physics-informed quantum algorithm to solve nonlinear and multidimensional differential equations (DEs) in a quantum latent space. We suggest a strategy for building quantum models as state overlaps, where exponentially large…

Quantum Physics · Physics 2023-08-04 Annie E. Paine , Vincent E. Elfving , Oleksandr Kyriienko

Many real-world decisions are made under uncertainty by solving optimization problems using predicted quantities. This predict-then-optimize paradigm has motivated decision-focused learning, which trains models with awareness of how the…

Machine Learning · Computer Science 2025-11-10 Paula Rodriguez-Diaz , Kirk Bansak Elisabeth Paulson

Solving multiphysics-based inverse problems for geological carbon storage monitoring can be challenging when multimodal time-lapse data are expensive to collect and costly to simulate numerically. We overcome these challenges by combining…

Geophysics · Physics 2023-10-24 Ziyi Yin , Rafael Orozco , Mathias Louboutin , Felix J. Herrmann