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Parametric surrogate models for partial differential equations (PDEs) are a necessary component for many applications in the computational sciences, and convolutional neural networks (CNNs) have proved as an excellent tool to generate these…

Computational Engineering, Finance, and Science · Computer Science 2022-06-13 Jan Niklas Fuhg , Arnav Karmarkar , Teeratorn Kadeethum , Hongkyu Yoon , Nikolaos Bouklas

The theory-guided convolutional neural network (TgCNN) framework, which can incorporate discretized governing equation residuals into the training of convolutional neural networks (CNNs), is extended to two-phase porous media flow problems…

Geophysics · Physics 2022-08-15 Nanzhe Wang , Haibin Chang , Dongxiao Zhang

Surrogate models for partial-differential equations are widely used in the design of meta-materials to rapidly evaluate the behavior of composable components. However, the training cost of accurate surrogates by machine learning can rapidly…

Machine Learning · Computer Science 2020-11-04 Raphaël Pestourie , Youssef Mroueh , Thanh V. Nguyen , Payel Das , Steven G. Johnson

Artificial intelligence is transforming scientific computing with deep neural network surrogates that approximate solutions to partial differential equations (PDEs). Traditional off-line training methods face issues with storage and I/O…

Machine Learning · Computer Science 2024-10-10 Sofya Dymchenko , Abhishek Purandare , Bruno Raffin

High-performance scientific simulations, important for comprehension of complex systems, encounter computational challenges especially when exploring extensive parameter spaces. There has been an increasing interest in developing deep…

Machine Learning · Computer Science 2024-07-15 Pradeep Bajracharya , Javier Quetzalcóatl Toledo-Marín , Geoffrey Fox , Shantenu Jha , Linwei Wang

State-of-the-art computer codes for simulating real physical systems are often characterized by a vast number of input parameters. Performing uncertainty quantification (UQ) tasks with Monte Carlo (MC) methods is almost always infeasible…

Computational Physics · Physics 2018-10-17 Rohit Tripathy , Ilias Bilionis

The performance of machine learning surrogates is critically dependent on data quality and quantity. This presents a major challenge, as high-fidelity (HF) data is often scarce and computationally expensive to acquire, while low-fidelity…

Machine Learning · Computer Science 2026-02-03 Jice Zeng , David Barajas-Solano , Hui Chen

Mesh-based simulations play a key role when modeling complex physical systems that, in many disciplines across science and engineering, require the solution of parametrized time-dependent nonlinear partial differential equations (PDEs). In…

Numerical Analysis · Mathematics 2023-08-04 Nicola Rares Franco , Stefania Fresca , Filippo Tombari , Andrea Manzoni

For computational efficiency, surrogate models have been used to emulate mathematical simulators for physical or biological processes. High-speed simulation is crucial for conducting uncertainty quantification (UQ) when the simulation is…

Machine Learning · Computer Science 2022-11-21 Lixiang Zhang , Jia Li

State-of-the-art Deep Neural Networks (DNNs) often incorporate multi-branch connections, enabling multi-scale feature extraction and enhancing the capture of diverse features. This design improves network capacity and generalisation to…

Neural and Evolutionary Computing · Computer Science 2025-06-26 Fergal Stapleton , Daniel García Núñez , Yanan Sun , Edgar Galván

A promising application of machine learning is the creation of low-cost surrogate models to mitigate computational bottlenecks in quantum many-body simulations. Here, we explore whether a neural network (NN) can be trained in the low-data…

Strongly Correlated Electrons · Physics 2026-04-28 Rohan Nain , Philip M. Dee , Kipton Barros , Steven Johnston , Thomas A. Maier

We present a scalable framework for learning deterministic and probabilistic neural surrogates for high-resolution 3D physics simulations. We introduce a hybrid CNN-Transformer backbone architecture targeted for 3D physics simulations,…

Machine Learning · Computer Science 2025-10-09 Benjamin Holzschuh , Georg Kohl , Florian Redinger , Nils Thuerey

Surrogate strategies are used widely for uncertainty quantification of groundwater models in order to improve computational efficiency. However, their application to dynamic multiphase flow problems is hindered by the curse of…

Machine Learning · Statistics 2019-05-02 Shaoxing Mo , Yinhao Zhu , Nicholas Zabaras , Xiaoqing Shi , Jichun Wu

Recent advances in hardware and big data acquisition have accelerated the development of deep learning techniques. For an extended period of time, increasing the model complexity has led to performance improvements for various tasks.…

Machine Learning · Computer Science 2023-07-24 Damian Owerko , Charilaos I. Kanatsoulis , Jennifer Bondarchuk , Donald J. Bucci , Alejandro Ribeiro

Convolutional neural networks (CNNs) have achieved astonishing advances over the past decade, defining state-of-the-art in several computer vision tasks. CNNs are capable of learning robust representations of the data directly from the RGB…

Computer Vision and Pattern Recognition · Computer Science 2023-09-26 Samuel Felipe dos Santos , Nicu Sebe , Jurandy Almeida

Convolutional neural networks (CNNs) have achieved astonishing advances over the past decade, defining state-of-the-art in several computer vision tasks. CNNs are capable of learning robust representations of the data directly from the RGB…

Computer Vision and Pattern Recognition · Computer Science 2023-09-26 Samuel Felipe dos Santos , Nicu Sebe , Jurandy Almeida

The ability to automatically learn task specific feature representations has led to a huge success of deep learning methods. When large training data is scarce, such as in medical imaging problems, transfer learning has been very effective.…

Computer Vision and Pattern Recognition · Computer Science 2017-04-21 Hariharan Ravishankar , Prasad Sudhakar , Rahul Venkataramani , Sheshadri Thiruvenkadam , Pavan Annangi , Narayanan Babu , Vivek Vaidya

Failure probability evaluation for complex physical and engineering systems governed by partial differential equations (PDEs) are computationally intensive, especially when high-dimensional random parameters are involved. Since standard…

Numerical Analysis · Mathematics 2019-08-06 Ke Li , Kejun Tang , Jinglai Li , Tianfan Wu , Qifeng Liao

The solution of partial differential equations (PDEs) plays a central role in numerous applications in science and engineering, particularly those involving multiphase flow in porous media. Complex, nonlinear systems govern these problems…

Modeling groundwater flow in three-dimensional fractured crystalline media requires accounting for strong spatial heterogeneity induced by fractures. Fine-scale discrete fracture-matrix (DFM) simulations can capture this complexity but are…

Machine Learning · Computer Science 2026-04-06 Martin Špetlík , Jan Březina