English
Related papers

Related papers: A Message Passing Neural Network Surrogate Model f…

200 papers

Background: Accumulation of abnormal contact stress is a primary biomechanical driver of acute meniscal tears and chronic osteoarthritis. While Finite Element Analysis (FEA) provides the necessary fidelity to quantify these injury-inducing…

Quantitative Methods · Quantitative Biology 2025-12-16 Zhengye Pan , Jianwei Zuo , Jiajia Luo

Multiscale homogenization of woven composites requires detailed micromechanical evaluations, leading to high computational costs. Data-driven surrogate models based on neural networks address this challenge but often suffer from big data…

Computational Physics · Physics 2026-04-23 Ehsan Ghane , Marina A. Maia , Iuri B. C. M. Rocha , Martin Fagerström , Mohsen Mirakhalaf

Numerical simulation of multi-phase fluid dynamics in porous media is critical for many energy and environmental applications in Earth's subsurface. Data-driven surrogate modeling provides computationally inexpensive alternatives to…

Computational Physics · Physics 2024-04-16 Jiamin Jiang , Bo Guo

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

In the trend of hybrid Artificial Intelligence techniques, Physical-Informed Machine Learning has seen a growing interest. It operates mainly by imposing data, learning, or architecture bias with simulation data, Partial Differential…

Machine Learning · Computer Science 2024-08-05 Alexis-Raja Brachet , Pierre-Yves Richard , Céline Hudelot

The overarching goal of this work is to develop an accurate, robust, and stable methodology for finite deformation modeling using strong-form peridynamics (PD) and the correspondence modeling framework. We adopt recently developed methods…

Numerical Analysis · Mathematics 2020-04-27 Masoud Behzadinasab , Nathaniel Trask , Yuri Bazilevs

The overarching goal of this work is to develop an accurate, robust, and stable methodology for finite deformation modeling using strong-form peridynamics (PD) and the correspondence modeling framework. We adopt recently developed methods…

Numerical Analysis · Mathematics 2020-04-27 Masoud Behzadinasab , John T. Foster , Yuri Bazilevs

For multilayer structures, interfacial failure is one of the most important elements related to device reliability. For cohesive zone modelling, traction-separation relations represent the adhesive interactions across interfaces. However,…

Computational Engineering, Finance, and Science · Computer Science 2023-01-02 Congjie Wei , Jiaxin Zhang , Kenneth M. Liechti , Chenglin Wu

Probabilistic Manifold Decomposition (PMD)\cite{doi:10.1137/25M1738863}, developed in our earlier work, provides a nonlinear model reduction by embedding high-dimensional dynamics onto low-dimensional probabilistic manifolds. The PMD has…

Numerical Analysis · Mathematics 2026-01-13 Jiaming Guo , Dunhui Xiao

Graph neural networks (GNNs) and message passing neural networks (MPNNs) have been proven to be expressive for subgraph structures in many applications. Some applications in heterogeneous graphs require explicit edge modeling, such as…

Machine Learning · Computer Science 2021-12-17 Xin Liu , Yangqiu Song

Deep Material Network (DMN) has recently emerged as a data-driven surrogate model for heterogeneous materials. Given a particular microstructural morphology, the effective linear and nonlinear behaviors can be successfully approximated by…

Computational Engineering, Finance, and Science · Computer Science 2023-12-15 Tianyi Li

Peridynamic (PD) theory is significant and promising in engineering and materials science; however, it imposes challenges owing to the enormous computational cost caused by its nonlocality. Our main contribution, which overcomes the…

Numerical Analysis · Mathematics 2023-01-30 Chenguang Liu , Hao Tian , Wai sun Don , Hong Wang

Message Passing Neural Networks (MPNNs) is the building block of graph foundation models, but fundamentally suffer from oversmoothing and oversquashing. There has recently been a surge of interest in fixing both issues. Existing efforts…

Machine Learning · Computer Science 2025-10-21 Li Sun , Zhenhao Huang , Ming Zhang , Philip S. Yu

This work presents a multi-resolution physics-informed recurrent neural network (MR PI-RNN), for simultaneous prediction of musculoskeletal (MSK) motion and parameter identification of the MSK systems. The MSK application was selected as…

Machine Learning · Computer Science 2023-05-29 Karan Taneja , Xiaolong He , Qizhi He , J. S. Chen

Accurate and efficient simulations of physical phenomena governed by partial differential equations (PDEs) are important for scientific and engineering progress. While traditional numerical solvers are powerful, they are often…

Machine Learning · Computer Science 2025-11-13 Can Yang , Zhenzhong Wang , Junyuan Liu , Yunpeng Gong , Min Jiang

Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order…

Chemical Physics · Physics 2023-12-22 Junwu Chen , Philippe Schwaller

Modelling long-range dependencies is critical for scene understanding tasks in computer vision. Although convolution neural networks (CNNs) have excelled in many vision tasks, they are still limited in capturing long-range structured…

Computer Vision and Pattern Recognition · Computer Science 2022-09-21 Li Zhang , Mohan Chen , Anurag Arnab , Xiangyang Xue , Philip H. S. Torr

Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…

Computational Engineering, Finance, and Science · Computer Science 2020-06-11 Dengpeng Huang , Jan Niklas Fuhg , Christian Weißenfels , Peter Wriggers

One of the main challenges in solving time-dependent partial differential equations is to develop computationally efficient solvers that are accurate and stable. Here, we introduce a graph neural network approach to finding efficient PDE…

Machine Learning · Computer Science 2022-04-19 Pourya Pilva , Ahmad Zareei

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang