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We propose a novel machine learning framework for solving optimization problems governed by large-scale partial differential equations (PDEs) with high-dimensional random parameters. Such optimization under uncertainty (OUU) problems may be…

Optimization and Control · Mathematics 2023-06-01 Dingcheng Luo , Thomas O'Leary-Roseberry , Peng Chen , Omar Ghattas

We propose derivative-informed neural operators (DINOs), a general family of neural networks to approximate operators as infinite-dimensional mappings from input function spaces to output function spaces or quantities of interest. After…

Numerical Analysis · Mathematics 2023-10-18 Thomas O'Leary-Roseberry , Peng Chen , Umberto Villa , Omar Ghattas

We present approximation theories and efficient training methods for derivative-informed Fourier neural operators (DIFNOs) with applications to PDE-constrained optimization. A DIFNO is an FNO trained by minimizing its prediction error…

Machine Learning · Computer Science 2026-03-17 Boyuan Yao , Dingcheng Luo , Lianghao Cao , Nikola Kovachki , Thomas O'Leary-Roseberry , Omar Ghattas

We consider optimal experimental design (OED) problems in selecting the most informative observation sensors to estimate model parameters in a Bayesian framework. Such problems are computationally prohibitive when the…

Computational Engineering, Finance, and Science · Computer Science 2024-09-10 Jinwoo Go , Peng Chen

Engineering design problems often involve solving parametric Partial Differential Equations (PDEs) under variable PDE parameters and domain geometry. Recently, neural operators have shown promise in learning PDE operators and quickly…

Machine Learning · Computer Science 2024-11-14 Weiheng Zhong , Hadi Meidani

In this paper, we propose physics-informed neural operators (PINO) that combine training data and physics constraints to learn the solution operator of a given family of parametric Partial Differential Equations (PDE). PINO is the first…

Neural operators have emerged as cost-effective surrogates for expensive fluid-flow simulators, particularly in computationally intensive tasks such as permeability inversion from time-lapse seismic data, and uncertainty quantification. In…

Computational Physics · Physics 2026-01-16 Jeongjin Park , Grant Bruer , Huseyin Tuna Erdinc , Abhinav Prakash Gahlot , Felix J. Herrmann

Learning dynamics governed by differential equations is crucial for predicting and controlling the systems in science and engineering. Neural Ordinary Differential Equation (NODE), a deep learning model integrated with differential…

Machine Learning · Computer Science 2021-11-09 Shiqi Gong , Qi Meng , Yue Wang , Lijun Wu , Wei Chen , Zhi-Ming Ma , Tie-Yan Liu

In computational physics, a longstanding challenge lies in finding numerical solutions to partial differential equations (PDEs). Recently, research attention has increasingly focused on Neural Operator methods, which are notable for their…

Machine Learning · Computer Science 2025-09-26 Yichen Song , Yalun Wu , Yunbo Wang , Xiaokang Yang

Accurately quantifying long-term risk probabilities in diverse stochastic systems is essential for safety-critical control. However, existing sampling-based and partial differential equation (PDE)-based methods often struggle to handle…

Systems and Control · Electrical Eng. & Systems 2025-08-29 Zhuoyuan Wang , Raffaele Romagnoli , Kamyar Azizzadenesheli , Yorie Nakahira

We propose the geometry-informed neural operator (GINO), a highly efficient approach to learning the solution operator of large-scale partial differential equations with varying geometries. GINO uses a signed distance function and…

Simulation and optimization are crucial for advancing the engineering design of complex systems and processes. Traditional optimization methods require substantial computational time and effort due to their reliance on resource-intensive…

Machine Learning · Computer Science 2025-08-28 Janak M. Patel , Milad Ramezankhani , Anirudh Deodhar , Dagnachew Birru

Data-based optimization (DBO) offers a promising approach for efficiently optimizing shape for better aerodynamic performance by leveraging a pretrained surrogate model for offline evaluations during iterations. However, DBO heavily relies…

Machine Learning · Computer Science 2026-03-31 Yunjia Yang , Runze Li , Yufei Zhang , Haixin Chen

Scientific machine learning has enabled the extraction of physical insights and data-driven modeling of high-dimensional spatiotemporal data, yet achieving physically interpretable latent representations and computationally efficient…

Machine Learning · Computer Science 2026-05-04 Siva Viknesh , Amirhossein Arzani

Geometry is central to PDE-governed systems, motivating shape optimization and inversion. Classical pipelines conduct costly forward simulation with geometry processing, requiring substantial expert effort. Neural surrogates accelerate…

Machine Learning · Computer Science 2026-05-15 Guoze Sun , Tianya Miao , Haoyang Huang , Huaguan Chen , Han Wan , Rui Zhang , Hao Sun

Solving partial differential equations (PDEs) is a required step in the simulation of natural and engineering systems. The associated computational costs significantly increase when exploring various scenarios, such as changes in initial or…

Neural differential equations offer a powerful framework for modeling continuous-time dynamics, but forecasting stiff biophysical systems remains unreliable. Standard Neural ODEs and physics informed variants often require orders of…

Machine Learning · Computer Science 2025-11-18 Kamalpreet Singh Kainth , Prathamesh Dinesh Joshi , Raj Abhijit Dandekar , Rajat Dandekar , Sreedat Panat

PDE-Constrained Optimization (PDECO) problems can be accelerated significantly by employing gradient-based methods with surrogate models like neural operators compared to traditional numerical solvers. However, this approach faces two key…

Machine Learning · Computer Science 2025-06-17 Ze Cheng , Zhuoyu Li , Xiaoqiang Wang , Jianing Huang , Zhizhou Zhang , Zhongkai Hao , Hang Su

Operator learning has emerged as a promising paradigm for developing efficient surrogate models to solve partial differential equations (PDEs). However, existing approaches often overlook the domain knowledge inherent in the underlying PDEs…

Machine Learning · Computer Science 2025-10-20 Ziqian Li , Kang Liu , Yongcun Song , Hangrui Yue , Enrique Zuazua

For partial differential equations on domains of arbitrary shapes, existing works of neural operators attempt to learn a mapping from geometries to solutions. It often requires a large dataset of geometry-solution pairs in order to obtain a…

Machine Learning · Computer Science 2024-05-29 Ze Cheng , Zhongkai Hao , Xiaoqiang Wang , Jianing Huang , Youjia Wu , Xudan Liu , Yiru Zhao , Songming Liu , Hang Su
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