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As powerful tools for representation learning on graphs, graph neural networks (GNNs) have facilitated various applications from drug discovery to recommender systems. Nevertheless, the effectiveness of GNNs is immensely challenged by…

Machine Learning · Computer Science 2023-02-28 Wei Jin , Tong Zhao , Jiayuan Ding , Yozen Liu , Jiliang Tang , Neil Shah

We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism, merging concepts from graph neural networks and language modeling. Building on the inherent…

Machine Learning · Computer Science 2025-03-06 Markus J. Buehler

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph…

Machine Learning · Computer Science 2021-07-21 Xueting Han , Zhenhuan Huang , Bang An , Jing Bai

This paper presents a novel transformer architecture for graph representation learning. The core insight of our method is to fully consider the information propagation among nodes and edges in a graph when building the attention module in…

Machine Learning · Computer Science 2024-10-10 Zhe Chen , Hao Tan , Tao Wang , Tianrun Shen , Tong Lu , Qiuying Peng , Cheng Cheng , Yue Qi

Graph neural networks (GNNs) have achieved strong performance across various real-world domains. Nevertheless, they suffer from oversquashing, where long-range information is distorted as it is compressed through limited message-passing…

Machine Learning · Computer Science 2026-04-03 Tanvir Hossain , Muhammad Ifte Khairul Islam , Lilia Chebbah , Charles Fanning , Esra Akbas

Dynamic interactions between entities are prevalent in domains like social platforms, financial systems, healthcare, and e-commerce. These interactions can be effectively represented as time-evolving graphs, where predicting future…

Machine Learning · Computer Science 2026-01-21 Sidharth Agarwal , Tanishq Dubey , Shubham Gupta , Srikanta Bedathur

In recent years, Graph Neural Networks (GNNs) have been popular in the graph classification task. Currently, shallow GNNs are more common due to the well-known over-smoothing problem facing deeper GNNs. However, they are sub-optimal without…

Machine Learning · Computer Science 2023-02-20 Lanning Wei , Zhiqiang He , Huan Zhao , Quanming Yao

Recent progress in pretrained Transformer-based language models has shown great success in learning contextual representation of text. However, due to the quadratic self-attention complexity, most of the pretrained Transformers models can…

Computation and Language · Computer Science 2021-10-22 Peng Xu , Xinchi Chen , Xiaofei Ma , Zhiheng Huang , Bing Xiang

Graph neural networks based on iterative one-hop message passing have been shown to struggle in harnessing the information from distant nodes effectively. Conversely, graph transformers allow each node to attend to all other nodes directly,…

Machine Learning · Computer Science 2024-06-06 Yuhui Ding , Antonio Orvieto , Bobby He , Thomas Hofmann

Graph Neural Networks (GNNs) set the state-of-the-art in representation learning for graph-structured data. They are used in many domains, from online social networks to complex molecules. Most GNNs leverage the message-passing paradigm and…

Machine Learning · Computer Science 2025-03-06 Tuğrul Hasan Karabulut , İnci M. Baytaş

Convolutional Neural Networks (CNNs) have revolutionized the understanding of visual content. This is mainly due to their ability to break down an image into smaller pieces, extract multi-scale localized features and compose them to…

Computer Vision and Pattern Recognition · Computer Science 2021-10-26 Zachary Wharton , Ardhendu Behera , Asish Bera

The dominant graph-to-sequence transduction models employ graph neural networks for graph representation learning, where the structural information is reflected by the receptive field of neurons. Unlike graph neural networks that restrict…

Computation and Language · Computer Science 2019-12-03 Deng Cai , Wai Lam

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

Despite the success of Transformer models in vision and language tasks, they often learn knowledge from enormous data implicitly and cannot utilize structured input data directly. On the other hand, structured learning approaches such as…

Computer Vision and Pattern Recognition · Computer Science 2023-05-02 Xuehai He , Xin Eric Wang

Graph learning has attracted significant attention due to its widespread real-world applications. Current mainstream approaches rely on text node features and obtain initial node embeddings through shallow embedding learning using GNNs,…

Artificial Intelligence · Computer Science 2025-02-13 Chuanqi Shi , Yiyi Tao , Hang Zhang , Lun Wang , Shaoshuai Du , Yixian Shen , Yanxin Shen

Graph Neural Networks (GNNs) are a framework for graph representation learning, where a model learns to generate low dimensional node embeddings that encapsulate structural and feature-related information. GNNs are usually trained in an…

Machine Learning · Computer Science 2020-12-15 Davide Buffelli , Fabio Vandin

Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

Machine Learning · Computer Science 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

This thesis presents a local-to-global perspective on graph neural networks (GNN), the leading architecture to process graph-structured data. After categorizing GNN into local Message Passing Neural Networks (MPNN) and global Graph…

Machine Learning · Computer Science 2023-06-21 Chen Cai

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to…

Machine Learning · Computer Science 2019-11-11 Ruochi Zhang , Yuesong Zou , Jian Ma

The Transformer architecture has recently gained considerable attention in the field of graph representation learning, as it naturally overcomes several limitations of Graph Neural Networks (GNNs) with customized attention mechanisms or…

Machine Learning · Computer Science 2025-04-01 Jianqing Liang , Min Chen , Jiye Liang