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Deep learning surrogate models are being increasingly used in accelerating scientific simulations as a replacement for costly conventional numerical techniques. However, their use remains a significant challenge when dealing with real-world…

Machine Learning · Computer Science 2023-03-27 Saurabh Deshpande , Raúl I. Sosa , Stéphane P. A. Bordas , Jakub Lengiewicz

Simulation of the dynamics of physical systems is essential to the development of both science and engineering. Recently there is an increasing interest in learning to simulate the dynamics of physical systems using neural networks.…

Machine Learning · Computer Science 2022-01-31 Ce Yang , Weihao Gao , Di Wu , Chong Wang

We introduce a Graph Transformer framework that serves as a general inverse physics engine on meshes, demonstrated through the challenging task of reconstructing aerodynamic flow fields from sparse surface measurements. While deep learning…

Machine Learning · Computer Science 2025-01-29 Gregory Duthé , Imad Abdallah , Eleni Chatzi

Simulating complex dynamics like fluids with traditional simulators is computationally challenging. Deep learning models have been proposed as an efficient alternative, extending or replacing parts of traditional simulators. We investigate…

Machine Learning · Computer Science 2022-03-16 Jonathan Klimesch , Philipp Holl , Nils Thuerey

Accurately predicting long-horizon molecular dynamics (MD) trajectories remains a significant challenge, as existing deep learning methods often struggle to retain fidelity over extended simulations. We hypothesize that one key factor…

Machine Learning · Computer Science 2025-07-01 Fang Sun , Zijie Huang , Haixin Wang , Huacong Tang , Xiao Luo , Wei Wang , Yizhou Sun

Patient-specific hemodynamics assessment could support diagnosis and treatment of neurovascular diseases. Currently, conventional medical imaging modalities are not able to accurately acquire high-resolution hemodynamic information that…

Meshing is a critical, but user-intensive process necessary for stable and accurate simulations in computational fluid dynamics (CFD). Mesh generation is often a bottleneck in CFD pipelines. Adaptive meshing techniques allow the mesh to be…

Machine Learning · Computer Science 2022-12-06 Cooper Lorsung , Amir Barati Farimani

The representation learning on textual graph is to generate low-dimensional embeddings for the nodes based on the individual textual features and the neighbourhood information. Recent breakthroughs on pretrained language models and graph…

Computation and Language · Computer Science 2023-10-10 Junhan Yang , Zheng Liu , Shitao Xiao , Chaozhuo Li , Defu Lian , Sanjay Agrawal , Amit Singh , Guangzhong Sun , Xing Xie

Traditional simulation of complex mechanical systems relies on numerical solvers of Partial Differential Equations (PDEs), e.g., using the Finite Element Method (FEM). The FEM solvers frequently suffer from intensive computation cost and…

Machine Learning · Computer Science 2024-09-10 Fu Lin , Jiasheng Shi , Shijie Luo , Qinpei Zhao , Weixiong Rao , Lei Chen

The success of deep learning has revolutionized many fields of research including areas of computer vision, text and speech processing. Enormous research efforts have led to numerous methods that are capable of efficiently analyzing data,…

Machine Learning · Computer Science 2020-07-20 Christoph Heindl

Spatiotemporal graph neural networks have shown to be effective in time series forecasting applications, achieving better performance than standard univariate predictors in several settings. These architectures take advantage of a graph…

Machine Learning · Computer Science 2023-11-13 Andrea Cini , Ivan Marisca , Daniele Zambon , Cesare Alippi

Equivariant Graph Neural Networks (GNNs) have achieved remarkable success across diverse scientific applications. However, existing approaches face critical efficiency challenges when scaling to large geometric graphs and suffer significant…

Machine Learning · Computer Science 2025-06-25 Yuelin Zhang , Jiacheng Cen , Jiaqi Han , Wenbing Huang

An important challenge in robotics is understanding the interactions between robots and deformable terrains that consist of granular material. Granular flows and their interactions with rigid bodies still pose several open questions. A…

Machine Learning · Computer Science 2021-11-22 Amin Haeri , Krzysztof Skonieczny

Modern techniques for physical simulations rely on numerical schemes and mesh-refinement methods to address trade-offs between precision and complexity, but these handcrafted solutions are tedious and require high computational power.…

Machine Learning · Computer Science 2024-02-21 Janny Steeven , Nadri Madiha , Digne Julie , Wolf Christian

Graph neural networks for heterogeneous graph embedding is to project nodes into a low-dimensional space by exploring the heterogeneity and semantics of the heterogeneous graph. However, on the one hand, most of existing heterogeneous graph…

Machine Learning · Computer Science 2022-12-01 Zezhi Shao , Yongjun Xu , Wei Wei , Fei Wang , Zhao Zhang , Feida Zhu

The field of numerical simulation is of significant importance for the design and management of real-world systems, with partial differential equations (PDEs) being a commonly used mathematical modeling tool. However, solving PDEs remains…

Machine Learning · Computer Science 2023-06-21 Wenzhuo Liu , Mouadh Yagoubi , Marc Schoenauer

Spatio-temporal processes often exhibit highly heterogeneous and non-intuitive responses to localized disruptions, limiting the effectiveness of conventional message passing approaches in modeling local heterogeneity. We reformulate…

Machine Learning · Computer Science 2026-04-21 Abeer Mostafa , Raneen Younis , Zahra Ahmadi

This article presents a graph neural network (GNN) based surrogate modeling approach for fluid-acoustic shape optimization. The GNN model transforms mesh-based simulations into a computational graph, enabling global prediction of pressure…

Fluid Dynamics · Physics 2024-12-24 Farnoosh Hadizadeh , Wrik Mallik , Rajeev K. Jaiman

The optimization of structural parameters, such as mass(m), stiffness(k), and damping coefficient(c), is critical for designing efficient, resilient, and stable structures. Conventional numerical approaches, including Finite Element Method…

Neural and Evolutionary Computing · Computer Science 2026-02-24 Sagnik Mukherjee , Indrajit Barua

Accurate simulation of granular flow dynamics is crucial for assessing various geotechnical risks, including landslides and debris flows. Granular flows involve a dynamic rearrangement of particles exhibiting complex transitions from…

Geophysics · Physics 2023-12-13 Yongjin Choi , Krishna Kumar
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