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Recently, implicit graph neural networks (GNNs) have been proposed to capture long-range dependencies in underlying graphs. In this paper, we introduce and justify two weaknesses of implicit GNNs: the constrained expressiveness due to their…

机器学习 · 计算机科学 2022-10-18 Juncheng Liu , Bryan Hooi , Kenji Kawaguchi , Xiaokui Xiao

We propose Dynamically Pruned Message Passing Networks (DPMPN) for large-scale knowledge graph reasoning. In contrast to existing models, embedding-based or path-based, we learn an input-dependent subgraph to explicitly model reasoning…

人工智能 · 计算机科学 2020-04-09 Xiaoran Xu , Wei Feng , Yunsheng Jiang , Xiaohui Xie , Zhiqing Sun , Zhi-Hong Deng

We propose Scalable Message Passing Neural Networks (SMPNNs) and demonstrate that, by integrating standard convolutional message passing into a Pre-Layer Normalization Transformer-style block instead of attention, we can produce…

Message Passing Neural Networks (MPNNs) are a widely used class of Graph Neural Networks (GNNs). The limited representational power of MPNNs inspires the study of provably powerful GNN architectures. However, knowing one model is more…

机器学习 · 计算机科学 2023-05-10 Yinan Huang , Xingang Peng , Jianzhu Ma , Muhan Zhang

Most graph neural networks (GNNs) use the message passing paradigm, in which node features are propagated on the input graph. Recent works pointed to the distortion of information flowing from distant nodes as a factor limiting the…

A hallmark of graph neural networks is their ability to distinguish the isomorphism class of their inputs. This study derives hardness results for the classification variant of graph isomorphism in the message-passing model (MPNN). MPNN…

机器学习 · 计算机科学 2020-10-19 Andreas Loukas

Graph Neural Networks (GNNs) suffer from Oversquashing, which occurs when tasks require long-range interactions. The problem arises from the presence of bottlenecks that limit the propagation of messages among distant nodes. Recently, graph…

机器学习 · 计算机科学 2025-09-09 Kushal Bose , Swagatam Das

The message passing framework is the foundation of the immense success enjoyed by graph neural networks (GNNs) in recent years. In spite of its elegance, there exist many problems it provably cannot solve over given input graphs. This has…

机器学习 · 计算机科学 2022-02-23 Petar Veličković

Message Passing Neural Networks (MPNNs) are a common type of Graph Neural Network (GNN), in which each node's representation is computed recursively by aggregating representations (messages) from its immediate neighbors akin to a…

机器学习 · 计算机科学 2022-04-22 Lingxiao Zhao , Wei Jin , Leman Akoglu , Neil Shah

Graph Neural Networks (GNNs) have emerged as powerful tools for learning representations of graph-structured data. In addition to real-valued GNNs, quaternion GNNs also perform well on tasks on graph-structured data. With the aim of…

机器学习 · 计算机科学 2025-03-03 Rucha Bhalchandra Joshi , Sagar Prakash Barad , Nidhi Tiwari , Subhankar Mishra

Graph neural networks (GNNs) have limited expressive power, failing to represent many graph classes correctly. While more expressive graph representation learning (GRL) alternatives can distinguish some of these classes, they are…

机器学习 · 计算机科学 2021-12-08 Leonardo Cotta , Christopher Morris , Bruno Ribeiro

Graph Neural Networks (GNNs) are models that leverage the graph structure to transmit information between nodes, typically through the message-passing operation. While widely successful, this approach is well known to suffer from the…

This work provides the first theoretical study on the ability of graph Message Passing Neural Networks (gMPNNs) -- such as Graph Neural Networks (GNNs) -- to perform inductive out-of-distribution (OOD) link prediction tasks, where…

机器学习 · 计算机科学 2022-10-11 Yangze Zhou , Gitta Kutyniok , Bruno Ribeiro

Graph Neural Networks (GNNs) are widely used deep learning models that learn meaningful representations from graph-structured data. Due to the finite nature of the underlying recurrent structure, current GNN methods may struggle to capture…

机器学习 · 计算机科学 2021-06-02 Fangda Gu , Heng Chang , Wenwu Zhu , Somayeh Sojoudi , Laurent El Ghaoui

Graph rewiring has emerged as a key technique to alleviate over-squashing in Graph Neural Networks (GNNs) and Graph Transformers by modifying the graph topology to improve information flow. While effective, rewiring inherently alters the…

机器学习 · 计算机科学 2025-10-24 Alexandre Benoit , Catherine Aitken , Yu He

This paper proposes a novel message passing neural (MPN) architecture Conv-MPN, which reconstructs an outdoor building as a planar graph from a single RGB image. Conv-MPN is specifically designed for cases where nodes of a graph have…

计算机视觉与模式识别 · 计算机科学 2021-06-08 Fuyang Zhang , Nelson Nauata , Yasutaka Furukawa

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

Hypergraphs offer a generalized framework for capturing high-order relationships between entities and have been widely applied in various domains, including healthcare, social networks, and bioinformatics. Hypergraph neural networks, which…

机器学习 · 计算机科学 2025-12-03 Akash Choudhuri , Yongjian Zhong , Bijaya Adhikari

The quest for efficient and robust deep learning models for molecular systems representation is increasingly critical in scientific exploration. The advent of message passing neural networks has marked a transformative era in graph-based…

计算物理 · 物理学 2026-01-05 Jian Chang , Shuze Zhu

Message passing plays a vital role in graph neural networks (GNNs) for effective feature learning. However, the over-reliance on input topology diminishes the efficacy of message passing and restricts the ability of GNNs. Despite efforts to…

机器学习 · 计算机科学 2024-12-03 Junshu Sun , Chenxue Yang , Xiangyang Ji , Qingming Huang , Shuhui Wang