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Graph Neural Networks (GNNs) are based on repeated aggregations of information across nodes' neighbors in a graph. However, because common neighbors are shared between different nodes, this leads to repeated and inefficient computations. We…

机器学习 · 计算机科学 2019-06-11 Zhihao Jia , Sina Lin , Rex Ying , Jiaxuan You , Jure Leskovec , Alex Aiken

Numerous subgraph-enhanced graph neural networks (GNNs) have emerged recently, provably boosting the expressive power of standard (message-passing) GNNs. However, there is a limited understanding of how these approaches relate to each other…

机器学习 · 计算机科学 2022-10-18 Chendi Qian , Gaurav Rattan , Floris Geerts , Christopher Morris , Mathias Niepert

Graph similarity search is among the most important graph-based applications, e.g. finding the chemical compounds that are most similar to a query compound. Graph similarity computation, such as Graph Edit Distance (GED) and Maximum Common…

机器学习 · 计算机科学 2020-03-03 Yunsheng Bai , Hao Ding , Song Bian , Ting Chen , Yizhou Sun , Wei Wang

Graph Neural Networks (GNNs) have shown success in many real-world applications that involve graph-structured data. Most of the existing single-node GNN training systems are capable of training medium-scale graphs with tens of millions of…

分布式、并行与集群计算 · 计算机科学 2023-03-02 Yi-Chien Lin , Viktor Prasanna

In the realm of Graph Neural Networks (GNNs), two exciting research directions have recently emerged: Subgraph GNNs and Graph Transformers. In this paper, we propose an architecture that integrates both approaches, dubbed Subgraphormer,…

机器学习 · 计算机科学 2024-05-29 Guy Bar-Shalom , Beatrice Bevilacqua , Haggai Maron

Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

无序系统与神经网络 · 物理学 2026-02-23 O. Duranthon , L. Zdeborová

We propose a novel solution to addressing a long-standing dilemma in the representation learning of graph neural networks (GNNs): how to effectively capture and represent useful information embedded in long-distance nodes to improve the…

机器学习 · 计算机科学 2022-02-17 Ailing Zeng , Minhao Liu , Zhiwei Liu , Ruiyuan Gao , Jing Qin , Qiang Xu

Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The…

机器学习 · 计算机科学 2023-01-20 Michele Guerra , Indro Spinelli , Simone Scardapane , Filippo Maria Bianchi

We propose and study Hierarchical Ego Graph Neural Networks (HEGNNs), an expressive extension of graph neural networks (GNNs) with hierarchical node individualization, inspired by the Individualization-Refinement paradigm for isomorphism…

机器学习 · 计算机科学 2026-01-26 Arie Soeteman , Balder ten Cate

Graph neural network (GNN) has shown superior performance in dealing with graphs, which has attracted considerable research attention recently. However, most of the existing GNN models are primarily designed for graphs in Euclidean spaces.…

机器学习 · 计算机科学 2019-12-09 Yiding Zhang , Xiao Wang , Xunqiang Jiang , Chuan Shi , Yanfang Ye

When processing a batch of graphs in machine learning models such as Graph Neural Networks (GNN), it is common to combine several small graphs into one overall graph to accelerate processing and remove or reduce the overhead of padding.…

机器学习 · 计算机科学 2022-09-20 Mario Michael Krell , Manuel Lopez , Sreenidhi Anand , Hatem Helal , Andrew William Fitzgibbon

Subgraph GNNs are provably expressive neural architectures that learn graph representations from sets of subgraphs. Unfortunately, their applicability is hampered by the computational complexity associated with performing message passing on…

机器学习 · 计算机科学 2024-03-22 Beatrice Bevilacqua , Moshe Eliasof , Eli Meirom , Bruno Ribeiro , Haggai Maron

We propose high-order hypergraph walks as a framework to generalize graph-based network science techniques to hypergraphs. Edge incidence in hypergraphs is quantitative, yielding hypergraph walks with both length and width. Graph methods…

物理与社会 · 物理学 2020-06-09 Sinan G. Aksoy , Cliff Joslyn , Carlos Ortiz Marrero , Brenda Praggastis , Emilie Purvine

Time, cost, and energy efficiency are critical considerations in Deep-Learning (DL), particularly when processing long texts. Transformers, which represent the current state of the art, exhibit quadratic computational complexity relative to…

计算与语言 · 计算机科学 2025-07-11 Fardin Rastakhiz

We present a fast and scalable framework, leveraging graph neural networks (GNNs) and hierarchical matrix ($\mathcal{H}$-matrix) techniques, for simulating large-scale particulate suspensions, which have broader impacts across science and…

计算物理 · 物理学 2026-01-16 Zhan Ma , Zisheng Ye , Ebrahim Safdarian , Wenxiao Pan

Graph Neural Networks (GNNs) have become important machine learning tools for graph analysis, and its explainability is crucial for safety, fairness, and robustness. Layer-wise relevance propagation for GNNs (GNN-LRP) evaluates the…

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various…

社会与信息网络 · 计算机科学 2021-12-15 Wentao Xu , Yingce Xia , Weiqing Liu , Jiang Bian , Jian Yin , Tie-Yan Liu

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

机器学习 · 计算机科学 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

Presently with technology node scaling, an accurate prediction model at early design stages can significantly reduce the design cycle. Especially during logic synthesis, predicting cell congestion due to improper logic combination can…

机器学习 · 计算机科学 2021-11-12 Amur Ghose , Vincent Zhang , Yingxue Zhang , Dong Li , Wulong Liu , Mark Coates

In the modern age of social media and networks, graph representations of real-world phenomena have become an incredibly useful source to mine insights. Often, we are interested in understanding how entities in a graph are interconnected.…

机器学习 · 计算机科学 2021-12-16 Aneesh Komanduri , Justin Zhan