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This article builds on the recently proposed RB-ML-ROM approach for parameterized parabolic PDEs and proposes a novel hierarchical Trust Region algorithm for solving parabolic PDE constrained optimization problems. Instead of using a…

Optimization and Control · Mathematics 2025-03-28 Benedikt Klein , Mario Ohlberger

Neural networks, especially the recent proposed neural operator models, are increasingly being used to find the solution operator of differential equations. Compared to traditional numerical solvers, they are much faster and more efficient…

Machine Learning · Computer Science 2022-12-09 Ye Li , Yiwen Pang , Bin Shan

In Bayesian inverse problems, surrogate models are often constructed to speed up the computational procedure, as the parameter-to-data map can be very expensive to evaluate. However, due to the curse of dimensionality and the nonlinear…

Numerical Analysis · Mathematics 2020-03-03 Liang Yan , Tao Zhou

Physics-Informed Neural Networks (PINNs) have been shown to be an effective way of incorporating physics-based domain knowledge into neural network models for many important real-world systems. They have been particularly effective as a…

Machine Learning · Computer Science 2022-11-23 Jian Cheng Wong , Pao-Hsiung Chiu , Chin Chun Ooi , My Ha Da

We propose a non-intrusive method to build surrogate models that approximate the solution of parameterized partial differential equations (PDEs), capable of taking into account the dependence of the solution on the shape of the…

Numerical Analysis · Mathematics 2024-09-20 Linying Zhang , Stefano Pagani , Jun Zhang , Francesco Regazzoni

Physics Informed Machine Learning has emerged as a popular approach for modeling and simulation in digital twins, enabling the generation of accurate models of processes and behaviors in real-world systems. However, existing methods either…

Machine Learning · Computer Science 2025-07-15 Muhammad Saad Zia , Ashiq Anjum , Lu Liu , Anthony Conway , Anasol Pena Rios

Radio-Frequency Quadrupoles (RFQs) are multi-purpose linear particle accelerators that simultaneously bunch and accelerate charged particle beams. They are ubiquitous in accelerator physics, especially as injectors to higher-energy…

Computational Physics · Physics 2024-03-18 Joshua Villarreal , Daniel Winklehner , Daniel Koser , Janet Marie Conrad

Neural operators (NOs) provide fast, resolution-invariant surrogates for mapping input fields to PDE solution fields, but their predictions can exhibit significant epistemic uncertainty due to finite data, imperfect optimization, and…

Machine Learning · Computer Science 2026-03-13 Haoze Song , Zhihao Li , Mengyi Deng , Xin Li , Duyi Pan , Zhilu Lai , Wei Wang

Predicting nutrient transport and salinity distribution is crucial for mitigating climate-related threats to agromaritime systems. Traditional PDE-based models can capture the physics of nutrient dispersion, salinity and water quality.…

Numerical Analysis · Mathematics 2026-04-24 Muhammad Ilyas

We propose a general framework for machine learning based optimization under uncertainty. Our approach replaces the complex forward model by a surrogate, which is learned simultaneously in a one-shot sense when solving the optimal control…

Optimization and Control · Mathematics 2023-12-25 Philipp A. Guth , Claudia Schillings , Simon Weissmann

Solving parametric Partial Differential Equations (PDEs) for a broad range of parameters is a critical challenge in scientific computing. To this end, neural operators, which \textcolor{black}{predicts the PDE solution with variable PDE…

Numerical Analysis · Mathematics 2024-11-14 Weiheng Zhong , Hadi Meidani

Physics-informed neural networks (PINNs) have been proposed to learn the solution of partial differential equations (PDE). In PINNs, the residual form of the PDE of interest and its boundary conditions are lumped into a composite objective…

Computational Physics · Physics 2022-05-24 Shamsulhaq Basir , Inanc Senocak

A significant advancement in Neural Network (NN) research is the integration of domain-specific knowledge through custom loss functions. This approach addresses a crucial challenge: how can models utilize physics or mathematical principles…

Machine Learning · Computer Science 2025-03-27 Seyedeh Azadeh Fallah Mortezanejad , Ruochen Wang , Ali Mohammad-Djafari

The surrogate model-based uncertainty quantification method has drawn much attention in many engineering fields. Polynomial chaos expansion (PCE) and deep learning (DL) are powerful methods for building a surrogate model. However, PCE needs…

Machine Learning · Computer Science 2022-03-02 Wen Yao , Xiaohu Zheng , Jun Zhang , Ning Wang , Guijian Tang

Surrogate models are ubiquitously used in industry and academia to efficiently approximate given black box functions. As state-of-the-art methods from classical machine learning frequently struggle to solve this problem accurately for the…

Accurate yet efficient surrogate models are essential for large-scale simulations of partial differential equations (PDEs), particularly for uncertainty quantification (UQ) tasks that demand hundreds or thousands of evaluations. We develop…

Neural network surrogate models have emerged as a promising approach to model solution fields for a wide variety of boundary value problems encountered in physical modeling. Stochastic problems represent an area of particularly high…

Machine Learning · Statistics 2026-05-18 Noah Wade , Kirubel Teferra

Complex black-box predictive models may have high accuracy, but opacity causes problems like lack of trust, lack of stability, sensitivity to concept drift. On the other hand, interpretable models require more work related to feature…

Machine Learning · Computer Science 2019-03-01 Alicja Gosiewska , Aleksandra Gacek , Piotr Lubon , Przemyslaw Biecek

Scaling laws describe how model performance grows with data, parameters and compute. While large datasets can usually be collected at relatively low cost in domains such as language or vision, scientific machine learning is often limited by…

Machine Learning · Computer Science 2025-11-04 Paul Setinek , Gianluca Galletti , Johannes Brandstetter

Neural operators have emerged as promising surrogate models for solving partial differential equations (PDEs), but struggle to generalise beyond training distributions and are often constrained to a fixed temporal discretisation. This work…