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Graph representation learning has been widely studied and demonstrated effectiveness in various graph tasks. Most existing works embed graph data in the Euclidean space, while recent works extend the embedding models to hyperbolic or…

Machine Learning · Computer Science 2023-04-04 Cheng Deng , Fan Xu , Jiaxing Ding , Luoyi Fu , Weinan Zhang , Xinbing Wang

Molecular dynamics (MD) simulations are a central tool in science and engineering enabling the study of dynamical behavior and the link between microscopic structure and macroscopic function. Their high computational cost, however, has…

Chemical Physics · Physics 2026-01-22 Salman N. Salman , Sergey A. Shteingolts , Ron Levie , Dan Mendels

We develop a PyTorch-based Graph Network Simulator (GNS) that learns physics and predicts the flow behavior of particulate and fluid systems. GNS discretizes the domain with nodes representing a collection of material points and the links…

Machine Learning · Computer Science 2022-11-21 Krishna Kumar , Joseph Vantassel

Physics-based simulation of mesh based domains remains a challenging task. State-of-the-art techniques can produce realistic results but require expert knowledge. A major bottleneck in many approaches is the step of integrating a potential…

Graphics · Computer Science 2023-11-07 Oshri Halimi , Egor Larionov , Zohar Barzelay , Philipp Herholz , Tuur Stuyck

Bipartite graphs have been used to represent data relationships in many data-mining applications such as in E-commerce recommendation systems. Since learning in graph space is more complicated than in Euclidian space, recent studies have…

Social and Information Networks · Computer Science 2020-10-28 Chaoyang He , Tian Xie , Yu Rong , Wenbing Huang , Junzhou Huang , Xiang Ren , Cyrus Shahabi

We present a Graph Neural Network (GNN) that accurately simulates a multidisperse suspension of interacting spherical particles. Our machine learning framework is built upon the recent work of Sanchez-Gonzalez et al. ICML, PMLR, 119,…

Computational Physics · Physics 2025-02-20 Aref Hashemi , Aliakbar Izadkhah

Computationally weak systems and demanding graphical applications are still mostly dependent on linear blendshapes for facial animations. The accompanying artifacts such as self-intersections, loss of volume, or missing soft tissue…

Graphics · Computer Science 2023-01-23 Nicolas Wagner , Ulrich Schwanecke , Mario Botsch

Graph Visualization, also known as Graph Drawing, aims to find geometric embeddings of graphs that optimize certain criteria. Stress is a widely used metric; stress is minimized when every pair of nodes is positioned at their shortest path…

Computational Geometry · Computer Science 2024-02-13 Florian Grötschla , Joël Mathys , Robert Veres , Roger Wattenhofer

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…

Numerous recent research on graph neural networks (GNNs) has focused on formulating GNN architectures as an optimization problem with the smoothness assumption. However, in node classification tasks, the smoothing effect induced by GNNs…

Machine Learning · Computer Science 2023-09-14 Jiayu Zhai , Lequan Lin , Dai Shi , Junbin Gao

Graph Neural Networks (GNNs) have achieved impressive performance in collaborative filtering. However, GNNs tend to yield inferior performance when the distributions of training and test data are not aligned well. Also, training GNNs…

Machine Learning · Computer Science 2023-07-19 Huiyuan Chen , Chin-Chia Michael Yeh , Yujie Fan , Yan Zheng , Junpeng Wang , Vivian Lai , Mahashweta Das , Hao Yang

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have…

Machine Learning · Computer Science 2025-08-26 Paul Garnier , Vincent Lannelongue , Jonathan Viquerat , Elie Hachem

3D Gaussian Splatting (3DGS) has demonstrated impressive novel view synthesis performance. While conventional methods require per-scene optimization, more recently several feed-forward methods have been proposed to generate pixel-aligned…

Computer Vision and Pattern Recognition · Computer Science 2025-03-21 Shengjun Zhang , Xin Fei , Fangfu Liu , Haixu Song , Yueqi Duan

Sensing the fluid flow around an arbitrary geometry entails extrapolating from the physical quantities perceived at its surface in order to reconstruct the features of the surrounding fluid. This is a challenging inverse problem, yet one…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Gregory Duthé , Imad Abdallah , Sarah Barber , Eleni Chatzi

Graph Neural Networks (GNNs) are a framework for graph representation learning, where a model learns to generate low dimensional node embeddings that encapsulate structural and feature-related information. GNNs are usually trained in an…

Machine Learning · Computer Science 2020-12-15 Davide Buffelli , Fabio Vandin

Graph Neural Networks (GNNs) are widely used for learning on graph-structured data, but scaling GNN training to massive graphs remains challenging. To enable scalable distributed training, graphs are divided into smaller partitions that are…

Machine Learning · Computer Science 2026-04-02 Nikolai Merkel , Ruben Mayer , Volker Markl , Hans-Arno Jacobsen

Graph Neural Networks (GNNs) have emerged as a powerful and flexible framework for representation learning on irregular data. As they generalize the operations of classical CNNs on grids to arbitrary topologies, GNNs also bring much of the…

Machine Learning · Computer Science 2021-03-31 Mehdi Bahri , Gaétan Bahl , Stefanos Zafeiriou

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

Graph network-based simulators (GNS) have demonstrated strong potential for learning particle-based physics (such as fluids, deformable solids, and granular flows) while generalizing to unseen geometries due to their inherent inductive…

Machine Learning · Computer Science 2026-04-27 Naveen Raj Manoharan , Hassan Iqbal , Krishna Kumar

Deep learning-based approaches, particularly graph neural networks (GNNs), have gained prominence in simulating flexible deformations and contacts of solids, due to their ability to handle unstructured physical fields and nonlinear…

Machine Learning · Computer Science 2026-04-07 Zhe Feng , Shilong Tao , Haonan Sun , Shaohan Chen , Zhanxing Zhu , Yunhuai Liu