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Machine learning algorithms are heavily relied on to understand the vast amounts of data from high-energy particle collisions at the CERN Large Hadron Collider (LHC). The data from such collision events can naturally be represented with…

Graph neural networks (GNNs) have emerged as a popular strategy for handling non-Euclidean data due to their state-of-the-art performance. However, most of the current GNN model designs mainly focus on task accuracy, lacking in considering…

Machine Learning · Computer Science 2023-04-14 Ao Zhou , Jianlei Yang , Yingjie Qi , Yumeng Shi , Tong Qiao , Weisheng Zhao , Chunming Hu

We explore the use of graph neural networks (GNNs) to model spatial processes in which there is no a priori graphical structure. Similar to finite element analysis, we assign nodes of a GNN to spatial locations and use a computational…

Machine Learning · Computer Science 2019-11-19 Ferran Alet , Adarsh K. Jeewajee , Maria Bauza , Alberto Rodriguez , Tomas Lozano-Perez , Leslie Pack Kaelbling

We analyze the performance of graph neural network (GNN) architectures from the perspective of random graph theory. Our approach promises to complement existing lenses on GNN analysis, such as combinatorial expressive power and worst-case…

Machine Learning · Computer Science 2023-10-12 Drake Brown , Trevor Garrity , Kaden Parker , Jason Oliphant , Stone Carson , Cole Hanson , Zachary Boyd

Training a universal controller for robots with different morphologies is a promising research trend, since it can significantly enhance the robustness and resilience of the robotic system. However, diverse morphologies can yield different…

Robotics · Computer Science 2025-05-22 Yingbo Luo , Meibao Yao , Xueming Xiao

We explore the feasibility of combining Graph Neural Network-based policy architectures with Deep Reinforcement Learning as an approach to problems in systems. This fits particularly well with operations on networks, which naturally take…

Machine Learning · Computer Science 2021-12-02 Oliver Hope , Eiko Yoneki

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Deploying 3D graph neural networks (GNNs) that are equivariant to 3D rotations (the group SO(3)) on edge devices is challenging due to their high computational cost. This paper addresses the problem by compressing and accelerating an…

Machine Learning · Computer Science 2026-03-04 Haoyu Zhou , Ping Xue , Hao Zhang , Tianfan Fu

Graph neural networks (GNNs) have attracted much attention due to their ability to leverage the intrinsic geometries of the underlying data. Although many different types of GNN models have been developed, with many benchmarking procedures…

Graph Neural Networks (GNNs) have greatly advanced the semi-supervised node classification task on graphs. The majority of existing GNNs are trained in an end-to-end manner that can be viewed as tackling a bi-level optimization problem.…

Machine Learning · Computer Science 2023-07-20 Haoyu Han , Xiaorui Liu , Haitao Mao , MohamadAli Torkamani , Feng Shi , Victor Lee , Jiliang Tang

Graph Neural Networks (GNNs) have excelled in predicting graph properties in various applications ranging from identifying trends in social networks to drug discovery and malware detection. With the abundance of new architectures and…

Machine Learning · Computer Science 2024-06-06 Roya Aliakbarisani , Robert Jankowski , M. Ángeles Serrano , Marián Boguñá

We present a SE(3)-equivariant graph neural network (GNN) approach that directly predicting the formation factor and effective permeability from micro-CT images. FFT solvers are established to compute both the formation factor and effective…

Neural architecture search (NAS) automatically finds the best task-specific neural network topology, outperforming many manual architecture designs. However, it can be prohibitively expensive as the search requires training thousands of…

Machine Learning · Computer Science 2020-12-21 Chris Zhang , Mengye Ren , Raquel Urtasun

Soft, porous mechanical metamaterials exhibit pattern transformations that may have important applications in soft robotics, sound reduction and biomedicine. To design these innovative materials, it is important to be able to simulate them…

Soft Condensed Matter · Physics 2025-03-14 Fleur Hendriks , Vlado Menkovski , Martin Doškář , Marc G. D. Geers , Ondřej Rokoš

Graph Neural Networks (GNNs) have emerged as a promising tool to handle data exhibiting an irregular structure. However, most GNN architectures perform well on homophilic datasets, where the labels of neighboring nodes are likely to be the…

Machine Learning · Computer Science 2024-12-03 Victor M. Tenorio , Madeline Navarro , Samuel Rey , Santiago Segarra , Antonio G. Marques

Graph neural networks (GNNs) have received much attention recently because of their excellent performance on graph-based tasks. However, existing research on GNNs focuses on designing more effective models without considering much about the…

Machine Learning · Computer Science 2021-04-20 Han Yang , Xiao Yan , Xinyan Dai , Yongqiang Chen , James Cheng

Recently, graph neural networks (GNNs) have been shown powerful capacity at modeling structural data. However, when adapted to downstream tasks, it usually requires abundant task-specific labeled data, which can be extremely scarce in…

Machine Learning · Computer Science 2022-03-04 Yupeng Hou , Binbin Hu , Wayne Xin Zhao , Zhiqiang Zhang , Jun Zhou , Ji-Rong Wen

Network modeling is a fundamental tool in network research, design, and operation. Arguably the most popular method for modeling is Queuing Theory (QT). Its main limitation is that it imposes strong assumptions on the packet arrival…

Networking and Internet Architecture · Computer Science 2022-03-01 Miquel Ferriol-Galmés , Krzysztof Rusek , José Suárez-Varela , Shihan Xiao , Xiangle Cheng , Pere Barlet-Ros , Albert Cabellos-Aparicio

We revisit recent spectral GNN approaches to semi-supervised node classification (SSNC). We posit that state-of-the-art (SOTA) GNN architectures may be over-engineered for common SSNC benchmark datasets (citation networks, page-page…

Machine Learning · Computer Science 2024-11-28 Luciano Vinas , Arash A. Amini

This paper studies semi-supervised graph classification, a crucial task with a wide range of applications in social network analysis and bioinformatics. Recent works typically adopt graph neural networks to learn graph-level representations…

Machine Learning · Computer Science 2023-04-25 Wei Ju , Xiao Luo , Meng Qu , Yifan Wang , Chong Chen , Minghua Deng , Xian-Sheng Hua , Ming Zhang