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Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…

Machine Learning · Computer Science 2021-09-30 Francis Ogoke , Kazem Meidani , Amirreza Hashemi , Amir Barati Farimani

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Simulating rigid collisions among arbitrary shapes is notoriously difficult due to complex geometry and the strong non-linearity of the interactions. While graph neural network (GNN)-based models are effective at learning to simulate…

In this paper, we investigate the degree of explainability of graph neural networks (GNNs). Existing explainers work by finding global/local subgraphs to explain a prediction, but they are applied after a GNN has already been trained. Here,…

Machine Learning · Computer Science 2022-12-21 Indro Spinelli , Simone Scardapane , Aurelio Uncini

We propose a novel approach for deformation-aware neural networks that learn the weighting and synthesis of dense volumetric deformation fields. Our method specifically targets the space-time representation of physical surfaces from liquid…

Graphics · Computer Science 2019-02-21 Lukas Prantl , Boris Bonev , Nils Thuerey

Buoyancy-driven heat transfer in closed cavities serves as a canonical testbed for thermal design High-fidelity CFD modelling yields accurate thermal field solutions, yet its reliance on expert-crafted physics models, fine meshes, and…

Computer Vision and Pattern Recognition · Computer Science 2025-09-09 Mohammad Ahangarkiasari , Hassan Pouraria

Graph convolutional networks (GCNs) have been employed as a kind of significant tool on many graph-based applications recently. Inspired by convolutional neural networks (CNNs), GCNs generate the embeddings of nodes by aggregating the…

Machine Learning · Computer Science 2020-11-20 Tao Huang , Yihan Zhang , Jiajing Wu , Junyuan Fang , Zibin Zheng

This paper presents a novel approach for accelerating n-body simulations by integrating a physics-informed graph neural networks (GNN) with traditional numerical methods. Our method implements a leapfrog-based simulation engine to generate…

Machine Learning · Computer Science 2025-04-03 Víctor Ramos-Osuna , Alberto Díaz-Álvarez , Raúl Lara-Cabrera

We present a novel mesh-based learning approach (N-Cloth) for plausible 3D cloth deformation prediction. Our approach is general and can handle cloth or obstacles represented by triangle meshes with arbitrary topologies. We use graph…

Graphics · Computer Science 2022-05-31 Yudi Li , Min Tang , Yun Yang , Zi Huang , Ruofeng Tong , Shuangcai Yang , Yao Li , Dinesh Manocha

In many cutting-edge applications, high-fidelity computational models prove to be too slow for practical use and are therefore replaced by much faster surrogate models. Recently, deep learning techniques have increasingly been utilized to…

Machine Learning · Computer Science 2024-04-03 Saurabh Deshpande , Stéphane P. A. Bordas , Jakub Lengiewicz

Many irregular domains such as social networks, financial transactions, neuron connections, and natural language constructs are represented using graph structures. In recent years, a variety of graph neural networks (GNNs) have been…

Machine Learning · Computer Science 2021-05-03 Osman Asif Malik , Shashanka Ubaru , Lior Horesh , Misha E. Kilmer , Haim Avron

Representation learning in dynamic graphs is a challenging problem because the topology of graph and node features vary at different time. This requires the model to be able to effectively capture both graph topology information and…

Machine Learning · Computer Science 2021-11-16 Xintao Xiang , Tiancheng Huang , Donglin Wang

Molecular dynamics (MD) simulation predicts the trajectory of atoms by solving Newton's equation of motion with a numeric integrator. Due to physical constraints, the time step of the integrator need to be small to maintain sufficient…

Computational Physics · Physics 2021-12-22 Tianze Zheng , Weihao Gao , Chong Wang

Tensegrity robots are composed of rigid struts and flexible cables. They constitute an emerging class of hybrid rigid-soft robotic systems and are promising systems for a wide array of applications, ranging from locomotion to assembly. They…

Deep learning-based medical image segmentation and surface mesh generation typically involve a sequential pipeline from image to segmentation to meshes, often requiring large training datasets while making limited use of prior geometric…

Aerosol effects on climate, weather, and air quality depend on characteristics of individual particles, which are tremendously diverse and change in time. Particle-resolved models are the only models able to capture this diversity in…

Atmospheric and Oceanic Physics · Physics 2026-01-06 Fabiana Ferracina , Payton Beeler , Mahantesh Halappanavar , Bala Krishnamoorthy , Marco Minutoli , Laura Fierce

This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemistry, and biology. The viability of geometric learning for…

Machine Learning · Computer Science 2024-08-13 Amanda A. Volk , Robert W. Epps , Jeffrey G. Ethier , Luke A. Baldwin

The abundance of data has given machine learning considerable momentum in natural sciences and engineering, though modeling of physical processes is often difficult. A particularly tough problem is the efficient representation of geometric…

Machine Learning · Computer Science 2023-04-21 Andreas Mayr , Sebastian Lehner , Arno Mayrhofer , Christoph Kloss , Sepp Hochreiter , Johannes Brandstetter

Manipulating deformable objects is a ubiquitous task in household environments, demanding adequate representation and accurate dynamics prediction due to the objects' infinite degrees of freedom. This work proposes DeformNet, which utilizes…

Robotics · Computer Science 2024-02-13 Chenchang Li , Zihao Ai , Tong Wu , Xiaosa Li , Wenbo Ding , Huazhe Xu

Graph Neural Networks (GNNs) have achieved remarkable success in various applications, but their performance can be sensitive to specific data properties of the graph datasets they operate on. Current literature on understanding the…

Machine Learning · Computer Science 2023-10-31 Ting Wei Li , Qiaozhu Mei , Jiaqi Ma
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