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Graph neural networks (GNNs) have drawn increasing attention in recent years and achieved remarkable performance in many graph-based tasks, especially in semi-supervised learning on graphs. However, most existing GNNs are based on the…

Machine Learning · Computer Science 2024-01-24 Li Zhou , Wenyu Chen , Dingyi Zeng , Shaohuan Cheng , Wanlong Liu , Malu Zhang , Hong Qu

Message Passing Graph Neural Networks are known to suffer from two problems that are sometimes believed to be diametrically opposed: over-squashing and over-smoothing. The former results from topological bottlenecks that hamper the…

Machine Learning · Computer Science 2024-10-31 Adarsh Jamadandi , Celia Rubio-Madrigal , Rebekka Burkholz

Transductive tasks on graphs differ fundamentally from typical supervised machine learning tasks, as the independent and identically distributed (i.i.d.) assumption does not hold among samples. Instead, all train/test/validation samples are…

Machine Learning · Computer Science 2024-11-21 Hamed Shirzad , Honghao Lin , Ameya Velingker , Balaji Venkatachalam , David Woodruff , Danica Sutherland

Message passing neural networks have shown a lot of success on graph-structured data. However, there are many instances where message passing can lead to over-smoothing or fail when neighboring nodes belong to different classes. In this…

The prospect of achieving quantum advantage with Quantum Neural Networks (QNNs) is exciting. Understanding how QNN properties (e.g., the number of parameters $M$) affect the loss landscape is crucial to the design of scalable QNN…

Quantum Physics · Physics 2023-06-28 Martin Larocca , Nathan Ju , Diego García-Martín , Patrick J. Coles , M. Cerezo

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

Spatial reasoning in text plays a crucial role in various real-world applications. Existing approaches for spatial reasoning typically infer spatial relations from pure text, which overlooks the gap between natural language and symbolic…

Computation and Language · Computer Science 2024-03-11 Shuaiyi Li , Yang Deng , Wai Lam

Temporal Graph Neural Networks have garnered substantial attention for their capacity to model evolving structural and temporal patterns while exhibiting impressive performance. However, it is known that these architectures are encumbered…

Machine Learning · Computer Science 2024-02-12 Mahdi Biparva , Raika Karimi , Faezeh Faez , Yingxue Zhang

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

Machine Learning · Computer Science 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

Graph Neural Networks (GNNs) have become a prominent approach to machine learning with graphs and have been increasingly applied in a multitude of domains. Nevertheless, since most existing GNN models are based on flat message-passing…

Machine Learning · Computer Science 2022-10-27 Zhiqiang Zhong , Cheng-Te Li , Jun Pang

It is known that the current graph neural networks (GNNs) are difficult to make themselves deep due to the problem known as over-smoothing. Multi-scale GNNs are a promising approach for mitigating the over-smoothing problem. However, there…

Machine Learning · Computer Science 2021-01-07 Kenta Oono , Taiji Suzuki

Message Passing Neural Networks (MPNNs) model local relations effectively but struggle to propagate information over long distances. Graph Transformers (GTs) mitigate this via global self-attention, yet their quadratic cost in the number of…

Machine Learning · Computer Science 2025-09-03 Shuo Wang , Ge Cheng , Yun Zhang

Graph Neural Networks (GNNs) have become a popular approach for various applications, ranging from social network analysis to modeling chemical properties of molecules. While GNNs often show remarkable performance on public datasets, they…

Machine Learning · Computer Science 2022-02-03 Krzysztof Sadowski , Michał Szarmach , Eddie Mattia

Message-passing neural networks (MPNNs) are a powerful framework for learning representations of graph-structured domains. However, weights in MPNNs act on features only, limiting their ability to capture structural patterns. We introduce a…

Machine Learning · Computer Science 2026-05-26 Florian Seiffarth

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

In this paper we cast neural networks defined on graphs as message-passing neural networks (MPNNs) in order to study the distinguishing power of different classes of such models. We are interested in whether certain architectures are able…

Machine Learning · Computer Science 2020-04-07 Floris Geerts , Filip Mazowiecki , Guillermo A. Pérez

Neural networks have seen an explosion of usage and research in the past decade, particularly within the domains of computer vision and natural language processing. However, only recently have advancements in neural networks yielded…

Machine Learning · Computer Science 2022-07-20 Jacob Renn , Ian Sotnek , Benjamin Harvey , Brian Caffo

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

Knowledge graphs (KGs) facilitate a wide variety of applications. Despite great efforts in creation and maintenance, even the largest KGs are far from complete. Hence, KG completion (KGC) has become one of the most crucial tasks for KG…

Artificial Intelligence · Computer Science 2023-07-06 Juanhui Li , Harry Shomer , Jiayuan Ding , Yiqi Wang , Yao Ma , Neil Shah , Jiliang Tang , Dawei Yin

Simplicial map neural networks (SMNNs) are topology-based neural networks with interesting properties such as universal approximation ability and robustness to adversarial examples under appropriate conditions. However, SMNNs present some…

Machine Learning · Computer Science 2024-03-22 Eduardo Paluzo-Hidalgo , Miguel A. Gutiérrez-Naranjo , Rocio Gonzalez-Diaz
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