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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…

Machine Learning · Computer Science 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…

Artificial Intelligence · Computer Science 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…

Machine Learning · Computer Science 2026-03-11 Haitz Sáez de Ocáriz Borde , Artem Lukoianov , Anastasis Kratsios , Michael Bronstein , Xiaowen Dong

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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Computer Vision and Pattern Recognition · Computer Science 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.…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Computational Physics · Physics 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…

Machine Learning · Computer Science 2024-12-03 Junshu Sun , Chenxue Yang , Xiangyang Ji , Qingming Huang , Shuhui Wang