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Graph Neural Networks (GNNs) have evolved to understand graph structures through recursive exchanges and aggregations among nodes. To enhance robustness, self-supervised learning (SSL) has become a vital tool for data augmentation.…

Computation and Language · Computer Science 2024-05-08 Jiabin Tang , Yuhao Yang , Wei Wei , Lei Shi , Lixin Su , Suqi Cheng , Dawei Yin , Chao Huang

Graph Neural Network (GNN) is a popular architecture for the analysis of chemical molecules, and it has numerous applications in material and medicinal science. Current lines of GNNs developed for molecular analysis, however, do not fit…

Machine Learning · Computer Science 2019-05-27 Katsuhiko Ishiguro , Shin-ichi Maeda , Masanori Koyama

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this…

Machine Learning · Computer Science 2023-06-06 Omri Puny , Derek Lim , Bobak T. Kiani , Haggai Maron , Yaron Lipman

A variety of attention mechanisms have been studied to improve the performance of various computer vision tasks. However, the prior methods overlooked the significance of retaining the information on both channel and spatial aspects to…

Computer Vision and Pattern Recognition · Computer Science 2021-12-13 Yichao Liu , Zongru Shao , Nico Hoffmann

The first provably efficient algorithm for learning graph neural networks (GNNs) with one hidden layer for node information convolution is provided in this paper. Two types of GNNs are investigated, depending on whether labels are attached…

Machine Learning · Computer Science 2020-12-08 Qunwei Li , Shaofeng Zou , Wenliang Zhong

Recent studies have underscored the capabilities of natural imaging foundation models to serve as powerful feature extractors, even in a zero-shot setting for medical imaging data. Most commonly, a shallow multi-layer perceptron (MLP) is…

Computer Vision and Pattern Recognition · Computer Science 2024-07-25 Johannes Kiechle , Daniel M. Lang , Stefan M. Fischer , Lina Felsner , Jan C. Peeken , Julia A. Schnabel

Graph classification is a challenging problem owing to the difficulty in quantifying the similarity between graphs or representing graphs as vectors, though there have been a few methods using graph kernels or graph neural networks (GNNs).…

Machine Learning · Computer Science 2024-08-22 Zixiao Wang , Jicong Fan

Multi-Agent Reinforcement Learning (MARL) struggles with sample inefficiency and poor generalization [1]. These challenges are partially due to a lack of structure or inductive bias in the neural networks typically used in learning the…

Machine Learning · Computer Science 2024-10-23 Joshua McClellan , Naveed Haghani , John Winder , Furong Huang , Pratap Tokekar

Link prediction is a fundamental task in dynamic graph learning (DGL), inherently shaped by the topology of the DG. Recent advancements in dynamic graph neural networks (DGNN), primarily by modeling the relationships among nodes via a…

Machine Learning · Computer Science 2025-04-29 Ling Wang , Minglian Han

Graph Neural Network (GNN) architectures are defined by their implementations of update and aggregation modules. While many works focus on new ways to parametrise the update modules, the aggregation modules receive comparatively little…

Machine Learning · Computer Science 2023-10-11 Ryan Kortvelesy , Steven Morad , Amanda Prorok

Linear attention mechanisms have emerged as efficient alternatives to full self-attention in Graph Transformers, offering linear time complexity. However, existing linear attention models often suffer from a significant drop in…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Zhaolin Hu , Kun Li , Hehe Fan , Yi Yang

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

Balancing accuracy and latency on high-resolution images is a critical challenge for lightweight models, particularly for Transformer-based architectures that often suffer from excessive latency. To address this issue, we introduce…

Computer Vision and Pattern Recognition · Computer Science 2026-02-06 Junzhou Li , Manqi Zhao , Yilin Gao , Zhiheng Yu , Yin Li , Dongsheng Jiang , Li Xiao

Graph neural networks (GNNs) realize great success in graph learning but suffer from performance loss when meeting heterophily, i.e. neighboring nodes are dissimilar, due to their local and uniform aggregation. Existing attempts of…

Machine Learning · Computer Science 2026-04-14 Haoyu Liu , Ningyi Liao , Siqiang Luo

Graph neural networks (GNNs) are effective models for representation learning on relational data. However, standard GNNs are limited in their expressive power, as they cannot distinguish graphs beyond the capability of the Weisfeiler-Leman…

Machine Learning · Computer Science 2021-06-07 Ralph Abboud , İsmail İlkan Ceylan , Martin Grohe , Thomas Lukasiewicz

Linear attention methods offer a compelling alternative to softmax attention due to their efficiency in recurrent decoding. Recent research has focused on enhancing standard linear attention by incorporating gating while retaining its…

Machine Learning · Computer Science 2025-04-08 Yingcong Li , Davoud Ataee Tarzanagh , Ankit Singh Rawat , Maryam Fazel , Samet Oymak

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this…

Machine Learning · Computer Science 2021-03-09 Gabriele Corso , Luca Cavalleri , Dominique Beaini , Pietro Liò , Petar Veličković

Graph Neural Networks (GNNs) with attention have been successfully applied for learning visual feature matching. However, current methods learn with complete graphs, resulting in a quadratic complexity in the number of features. Motivated…

Computer Vision and Pattern Recognition · Computer Science 2023-03-20 Yan Shi , Jun-Xiong Cai , Yoli Shavit , Tai-Jiang Mu , Wensen Feng , Kai Zhang

Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model…

Machine Learning · Computer Science 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

Subgraph representation learning has been effective in solving various real-world problems. However, current graph neural networks (GNNs) produce suboptimal results for subgraph-level tasks due to their inability to capture complex…

Machine Learning · Computer Science 2025-11-12 Dongkwan Kim , Alice Oh
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