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In many real world applications, data are characterized by a complex structure, that can be naturally encoded as a graph. In the last years, the popularity of deep learning techniques has renewed the interest in neural models able to…

Machine Learning · Computer Science 2020-04-20 Matteo Tiezzi , Giuseppe Marra , Stefano Melacci , Marco Maggini , Marco Gori

Pressure and flow estimation in Water Distribution Networks (WDN) allows water management companies to optimize their control operations. For many years, mathematical simulation tools have been the most common approach to reconstructing an…

Machine Learning · Computer Science 2024-07-11 Huy Truong , Andrés Tello , Alexander Lazovik , Victoria Degeler

This paper focuses on the parallel implementation of a direct $N$-body method~(particle-particle algorithm) and the application of multiple GPUs for galactic dynamics simulations. Application of a hybrid OpenMP-CUDA technology is considered…

Computational Physics · Physics 2018-03-06 S. S. Khrapov , S. A. Khoperskov , A. V. Khoperskov

Discrete dislocation dynamics (DDD) is a widely employed computational method to study plasticity at the mesoscale that connects the motion of dislocation lines to the macroscopic response of crystalline materials. However, the…

Materials Science · Physics 2023-05-24 Nicolas Bertin , Fei Zhou

We propose GrainGNN, a surrogate model for the evolution of polycrystalline grain structure under rapid solidification conditions in metal additive manufacturing. High fidelity simulations of solidification microstructures are typically…

Computational Engineering, Finance, and Science · Computer Science 2024-02-02 Yigong Qin , Stephen DeWitt , Balasubramaniam Radhakrishnan , George Biros

Recent advances in digital avatar technology have enabled the generation of compelling virtual characters, but deploying these avatars on compute-constrained devices poses significant challenges for achieving realistic garment deformations.…

We introduce and demonstrate the power of a method to speed up current iterative techniques for N-body modified gravity simulations. Our method is based on the observation that the accuracy of the final result is not compromised if the…

Cosmology and Nongalactic Astrophysics · Physics 2016-01-12 Alexandre Barreira , Sownak Bose , Baojiu Li

Emergency vehicles require rapid passage through congested traffic, yet existing strategies fail to adapt to dynamic conditions. We propose a novel hierarchical graph neural network (GNN)-based multi-agent reinforcement learning framework…

Robotics · Computer Science 2026-01-12 Haoran Su

(Abridged) We have developed a numerical software library for collisionless N-body simulations named "Phantom-GRAPE" which highly accelerates force calculations among particles by use of a new SIMD instruction set extension to the x86…

Instrumentation and Methods for Astrophysics · Physics 2015-06-04 Ataru Tanikawa , Kohji Yoshikawa , Keigo Nitadori , Takashi Okamoto

Robotic grasping of 3D deformable objects is critical for real-world applications such as food handling and robotic surgery. Unlike rigid and articulated objects, 3D deformable objects have infinite degrees of freedom. Fully defining their…

Robotics · Computer Science 2023-03-29 Isabella Huang , Yashraj Narang , Ruzena Bajcsy , Fabio Ramos , Tucker Hermans , Dieter Fox

Learning from graph-structured data is an important task in machine learning and artificial intelligence, for which Graph Neural Networks (GNNs) have shown great promise. Motivated by recent advances in geometric representation learning, we…

Machine Learning · Computer Science 2019-10-30 Qi Liu , Maximilian Nickel , Douwe Kiela

Graph neural networks (GNNs) are powerful tools for exploring and learning from graph structures and features. As such, achieving high-performance execution for GNNs becomes crucially important. Prior works have proposed to explore the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-30 Yangjie Zhou , Yaoxu Song , Jingwen Leng , Zihan Liu , Weihao Cui , Zhendong Zhang , Cong Guo , Quan Chen , Li Li , Minyi Guo

Reasoning system dynamics is one of the most important analytical approaches for many scientific studies. With the initial state of a system as input, the recent graph neural networks (GNNs)-based methods are capable of predicting the…

Machine Learning · Computer Science 2023-10-23 Lingbing Guo , Weiqing Wang , Zhuo Chen , Ningyu Zhang , Zequn Sun , Yixuan Lai , Qiang Zhang , Huajun Chen

Graph neural networks (GNNs) have seen extensive application in domains such as social networks, bioinformatics, and recommendation systems. However, the irregularity and sparsity of graph data challenge traditional computing methods, which…

Machine Learning · Computer Science 2025-02-25 Ka Wai Wu

To date, the simulation of organ deformations for applications like therapy planning or image-guided interventions is calculated by solving the elastodynamics equations. While efficient solvers have been proposed for fast simulations,…

Quantitative Methods · Quantitative Biology 2018-12-18 Felix Meister , Tiziano Passerini , Viorel Mihalef , Ahmet Tuysuzoglu , Andreas Maier , Tommaso Mansi

We introduce FastGraph, a novel GPU-optimized k-nearest neighbor algorithm specifically designed to accelerate graph construction in low-dimensional spaces (2-10 dimensions), critical for high-performance graph neural networks. Our method…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-14 Aarush Agarwal , Raymond He , Jan Kieseler , Matteo Cremonesi , Shah Rukh Qasim

Graph Neural Networks (GNNs) have emerged as powerful tools for various graph mining tasks, yet existing scalable solutions often struggle to balance execution efficiency with prediction accuracy. These difficulties stem from iterative…

Machine Learning · Computer Science 2026-04-02 Xu Cheng , Liang Yao , Feng He , Yukuo Cen , Yufei He , Chenhui Zhang , Wenzheng Feng , Hongyun Cai , Jie Tang

Mesh-based simulations are central to modeling complex physical systems in many disciplines across science and engineering. Mesh representations support powerful numerical integration methods and their resolution can be adapted to strike…

Machine Learning · Computer Science 2021-06-21 Tobias Pfaff , Meire Fortunato , Alvaro Sanchez-Gonzalez , Peter W. Battaglia

Simulating the mechanical response of advanced materials can be done more accurately using concurrent multiscale models than with single-scale simulations. However, the computational costs stand in the way of the practical application of…

Machine Learning · Computer Science 2024-02-21 J. Storm , I. B. C. M. Rocha , F. P. van der Meer

Graph neural network (GNN) has been demonstrated to be a powerful model in many domains for its effectiveness in learning over graphs. To scale GNN training for large graphs, a widely adopted approach is distributed training which…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-04-19 Haiyang Lin , Mingyu Yan , Xiaocheng Yang , Mo Zou , Wenming Li , Xiaochun Ye , Dongrui Fan