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Rethink convolution-based graph neural networks (GNN) -- they characteristically suffer from limited expressiveness, over-smoothing, and over-squashing, and require specialized sparse kernels for efficient computation. Here, we design a…

Machine Learning · Computer Science 2024-10-01 Yuanqing Wang , Kyunghyun Cho

Graph Neural Networks (GNNs) have become essential in high-stakes domains such as drug discovery, yet their black-box nature remains a significant barrier to trustworthiness. While self-explainable GNNs attempt to bridge this gap, they…

Machine Learning · Computer Science 2026-02-25 Chuqin Geng , Li Zhang , Haolin Ye , Ziyu Zhao , Yuhe Jiang , Tara Saba , Xinyu Wang , Xujie Si

Knowledge Graph (KG) powered question answering (QA) performs complex reasoning over language semantics as well as knowledge facts. Graph Neural Networks (GNNs) learn to aggregate information from the underlying KG, which is combined with…

Computation and Language · Computer Science 2024-02-07 Costas Mavromatis , Petros Karypis , George Karypis

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link…

Machine Learning · Computer Science 2019-02-21 Rex Ying , Jiaxuan You , Christopher Morris , Xiang Ren , William L. Hamilton , Jure Leskovec

Graph Neural Networks (GNNs) are known to match the distinguishing power of the 1-Weisfeiler-Lehman (1-WL) test, and the resulting partitions coincide with the unfolding tree equivalence classes of graphs. Preserving this equivalence, GNNs…

Machine Learning · Computer Science 2025-08-26 Silvia Beddar-Wiesing , Alice Moallemy-Oureh

Graph neural network architectures aligned with the $k$-dimensional Weisfeiler--Leman ($k$-WL) hierarchy offer theoretically well-understood expressive power. However, these architectures often fail to deliver state-of-the-art predictive…

Machine Learning · Computer Science 2024-06-06 Luis Müller , Christopher Morris

Current GNN architectures use a vertex neighborhood aggregation scheme, which limits their discriminative power to that of the 1-dimensional Weisfeiler-Lehman (WL) graph isomorphism test. Here, we propose a novel graph convolution operator…

Machine Learning · Computer Science 2020-09-22 Clemens Damke , Vitalik Melnikov , Eyke Hüllermeier

The integration of Graph Neural Networks (GNNs) with Large Language Models (LLMs) has emerged as a promising paradigm for Graph Question Answering (GraphQA). However, effective methods for encoding complex structural information into the…

Machine Learning · Computer Science 2026-04-02 Ankit Grover , Lodovico Giaretta , Rémi Bourgerie , Sarunas Girdzijauskas

Graph neural networks are designed to learn functions on graphs. Typically, the relevant target functions are invariant with respect to actions by permutations. Therefore the design of some graph neural network architectures has been…

Machine Learning · Statistics 2022-11-03 Ningyuan Huang , Soledad Villar

Graph neural network (GNN) is achieving remarkable performances in a variety of application domains. However, GNN is vulnerable to noise and adversarial attacks in input data. Making GNN robust against noises and adversarial attacks is an…

Machine Learning · Computer Science 2022-08-04 Bharat Runwal , Vivek , Sandeep Kumar

Graph Neural Networks (GNNs) have achieved strong performance across a range of graph representation learning tasks, yet their adversarial robustness in graph classification remains underexplored compared to node classification. While most…

Machine Learning · Computer Science 2025-10-28 Sofiane Ennadir , Oleg Smirnov , Yassine Abbahaddou , Lele Cao , Johannes F. Lutzeyer

Combinatorial complexes have unified set-based (e.g., graphs, hypergraphs) and part-whole (e.g., simplicial, cellular complexes) structures into a common topological framework. Existing topological neural networks and Weisfeiler-Lehman…

Machine Learning · Computer Science 2026-05-04 Jiawen Chen , Qi Shao , Duxin Chen , Wenwu Yu

Graph Neural Networks (GNNs) excel at analyzing graph-structured data but struggle on heterophilic graphs, where connected nodes often belong to different classes. While this challenge is commonly addressed with specialized GNN…

Machine Learning · Computer Science 2025-05-20 Harel Mendelman , Haggai Maron , Ronen Talmon

The dominant paradigm for learning on graph-structured data is message passing. Despite being a strong inductive bias, the local message passing mechanism suffers from pathological issues such as over-smoothing, over-squashing, and limited…

Machine Learning · Computer Science 2025-04-15 Jacob Bamberger , Federico Barbero , Xiaowen Dong , Michael M. Bronstein

GNN-based approaches for learning general policies across planning domains are limited by the expressive power of $C_2$, namely; first-order logic with two variables and counting. This limitation can be overcame by transitioning to…

Artificial Intelligence · Computer Science 2025-02-19 Simon Ståhlberg , Blai Bonet , Hector Geffner

Graph Neural Networks (GNNs) excel in handling graph-structured data but often underperform in link prediction tasks compared to classical methods, mainly due to the limitations of the commonly used message-passing principle. Notably, their…

Machine Learning · Computer Science 2025-02-18 Niloofar Azizi , Nils Kriege , Horst Bischof

Graph neural networks, which generalize deep neural network models to graph structured data, have attracted increasing attention in recent years. They usually learn node representations by transforming, propagating and aggregating node…

Machine Learning · Computer Science 2019-05-21 Yao Ma , Suhang Wang , Charu C. Aggarwal , Jiliang Tang

It is well established that spectral graph neural networks (GNNs) can universally approximate node signals; however, their expressive power remains bounded by the 1-dimensional Weisfeiler-Lehman test, which is mirrored in their lack of…

Machine Learning · Computer Science 2026-05-26 Xiaohan Wang , Deyu Bo , Longlong Li , Kelin Xia

Graph Neural networks (GNNs) have recently become a powerful technique for many graph-related tasks including graph classification. Current GNN models apply different graph pooling methods that reduce the number of nodes and edges to learn…

Machine Learning · Computer Science 2023-03-08 Muhammad Ifte Khairul Islam , Max Khanov , Esra Akbas

Graph Neural Networks (GNNs) and their message passing framework that leverages both structural and feature information, have become a standard method for solving graph-based machine learning problems. However, these approaches still…

Machine Learning · Computer Science 2024-11-20 Simon Delarue , Thomas Bonald , Tiphaine Viard
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