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Recently, machine learning, particularly message-passing graph neural networks (MPNNs), has gained traction in enhancing exact optimization algorithms. For example, MPNNs speed up solving mixed-integer optimization problems by imitating…

机器学习 · 计算机科学 2023-10-17 Chendi Qian , Didier Chételat , Christopher Morris

The mechanism of message passing in graph neural networks (GNNs) is still mysterious. Apart from convolutional neural networks, no theoretical origin for GNNs has been proposed. To our surprise, message passing can be best understood in…

机器学习 · 计算机科学 2021-04-16 Xue Li , Yuanzhi Cheng

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

机器学习 · 计算机科学 2019-06-28 KiJung Yoon , Renjie Liao , Yuwen Xiong , Lisa Zhang , Ethan Fetaya , Raquel Urtasun , Richard Zemel , Xaq Pitkow

Graph Neural Networks (GNNs) have emerged as prominent models for representation learning on graph structured data. GNNs follow an approach of message passing analogous to 1-dimensional Weisfeiler Lehman (1-WL) test for graph isomorphism…

机器学习 · 计算机科学 2022-03-18 Mohammed Haroon Dupty , Wee Sun Lee

The expressive power of message-passing graph neural networks (MPNNs) is reasonably well understood, primarily through combinatorial techniques from graph isomorphism testing. However, MPNNs' generalization abilities -- making meaningful…

机器学习 · 计算机科学 2024-12-11 Antonis Vasileiou , Ben Finkelshtein , Floris Geerts , Ron Levie , Christopher Morris

Graph neural networks (GNNs) and message passing neural networks (MPNNs) have been proven to be expressive for subgraph structures in many applications. Some applications in heterogeneous graphs require explicit edge modeling, such as…

机器学习 · 计算机科学 2021-12-17 Xin Liu , Yangqiu Song

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

机器学习 · 计算机科学 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

Graph neural networks (GNNs) have achieved state-of-the-art performance in graph representation learning. Message passing neural networks, which learn representations through recursively aggregating information from each node and its…

机器学习 · 计算机科学 2024-05-20 Rongrong Ma , Guansong Pang , Ling Chen

Graph neural networks (GNN) are deep learning architectures for graphs. Essentially, a GNN is a distributed message passing algorithm, which is controlled by parameters learned from data. It operates on the vertices of a graph: in each…

计算机科学中的逻辑 · 计算机科学 2024-05-21 Martin Grohe , Eran Rosenbluth

Graph Neural Networks (GNNs) are the state-of-the-art model for machine learning on graph-structured data. The most popular class of GNNs operate by exchanging information between adjacent nodes, and are known as Message Passing Neural…

We present a novel edge-level ego-network encoding for learning on graphs that can boost Message Passing Graph Neural Networks (MP-GNNs) by providing additional node and edge features or extending message-passing formats. The proposed…

机器学习 · 计算机科学 2024-05-03 Nurudin Alvarez-Gonzalez , Andreas Kaltenbrunner , Vicenç Gómez

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming…

机器学习 · 计算机科学 2019-02-26 Keyulu Xu , Weihua Hu , Jure Leskovec , Stefanie Jegelka

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

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

机器学习 · 计算机科学 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

The paper presents a solution to the problem of universal representation of graphs exemplifying communication network topologies with the help of neural networks. The proposed approach is based on message-passing neural networks (MPNN). The…

网络与互联网体系结构 · 计算机科学 2019-04-15 Krzysztof Rusek , Piotr Chołda

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

机器学习 · 计算机科学 2021-05-04 Jing Huang , Jie Yang

Many real-world phenomena can be modeled as a graph, making them extremely valuable due to their ubiquitous presence. GNNs excel at capturing those relationships and patterns within these graphs, enabling effective learning and prediction…

机器学习 · 计算机科学 2023-11-28 Abhinav Raghuvanshi , Kushal Sokke Malleshappa

Graph Neural Networks (GNNs), despite achieving remarkable performance across different tasks, are theoretically bounded by the 1-Weisfeiler-Lehman test, resulting in limitations in terms of graph expressivity. Even though prior works on…

机器学习 · 计算机科学 2024-04-02 Quang Truong , Peter Chin

The expressive power of message passing GNNs is upper-bounded by Weisfeiler-Lehman (WL) test. To achieve high expressive GNNs beyond WL test, we propose a novel graph isomorphism test method, namely Twin-WL, which simultaneously passes node…

机器学习 · 计算机科学 2022-03-23 Zhaohui Wang , Qi Cao , Huawei Shen , Bingbing Xu , Xueqi Cheng

We precisely characterize the expressivity of computable Recurrent Graph Neural Networks (recurrent GNNs). We prove that recurrent GNNs with finite-precision parameters, sum aggregation, and ReLU activation, can compute any graph algorithm…

机器学习 · 计算机科学 2026-03-17 Eran Rosenbluth , Martin Grohe