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Learning node embeddings that capture a node's position within the broader graph structure is crucial for many prediction tasks on graphs. However, existing Graph Neural Network (GNN) architectures have limited power in capturing the…

Machine Learning · Computer Science 2019-06-17 Jiaxuan You , Rex Ying , Jure Leskovec

Graph link prediction has long been a central problem in graph representation learning in both network analysis and generative modeling. Recent progress in deep learning has introduced increasingly sophisticated architectures for capturing…

Machine Learning · Computer Science 2025-12-02 Siddhant Karki

Graph Transformers (GTs) have shown strong empirical performance, yet current architectures vary widely in their use of attention mechanisms, positional embeddings (PEs), and expressivity. Existing expressivity results are often tied to…

Machine Learning · Computer Science 2025-11-12 Timo Stoll , Luis Müller , Christopher Morris

We present Graformer, a novel Transformer-based encoder-decoder architecture for graph-to-text generation. With our novel graph self-attention, the encoding of a node relies on all nodes in the input graph - not only direct neighbors -…

Computation and Language · Computer Science 2021-04-28 Martin Schmitt , Leonardo F. R. Ribeiro , Philipp Dufter , Iryna Gurevych , Hinrich Schütze

Flow-guided Localization (FGL) enables the identification of spatial regions within the human body that contain an event of diagnostic interest. FGL does that by leveraging the passive movement of energy-constrained nanodevices circulating…

Emerging Technologies · Computer Science 2025-08-25 Mika Leo Hube , Filip Lemic , Ethungshan Shitiri , Gerard Calvo Bartra , Sergi Abadal , Xavier Costa Pérez

Since self-attention layers in Transformers are permutation invariant by design, positional encodings must be explicitly incorporated to enable spatial understanding. However, fixed-size lookup tables used in traditional learnable position…

Machine Learning · Computer Science 2025-06-18 Huayang Li , Yahui Liu , Hongyu Sun , Deng Cai , Leyang Cui , Wei Bi , Peilin Zhao , Taro Watanabe

Recent advances in Transformer models allow for unprecedented sequence lengths, due to linear space and time complexity. In the meantime, relative positional encoding (RPE) was proposed as beneficial for classical Transformers and consists…

Machine Learning · Computer Science 2021-06-11 Antoine Liutkus , Ondřej Cífka , Shih-Lun Wu , Umut Şimşekli , Yi-Hsuan Yang , Gaël Richard

Unsupervised graph alignment aims to find the node correspondence across different graphs without any anchor node pairs. Despite the recent efforts utilizing deep learning-based techniques, such as the embedding and optimal transport…

Machine Learning · Computer Science 2026-03-10 Songyang Chen , Youfang Lin , Yu Liu , Shuai Zheng , Lei Zou

Electronic Health Records (EHR) systematically organize patient health data through standardized medical codes, serving as a comprehensive and invaluable source for predictive modeling. Graph neural networks (GNNs) have demonstrated…

Machine Learning · Computer Science 2025-08-29 Haiyan Wang , Ye Yuan

Recently, hyperbolic space has risen as a promising alternative for semi-supervised graph representation learning. Many efforts have been made to design hyperbolic versions of neural network operations. However, the inspiring geometric…

Machine Learning · Computer Science 2022-01-24 Jiahong Liu , Menglin Yang , Min Zhou , Shanshan Feng , Philippe Fournier-Viger

We present a novel edge-level ego-network encoding for learning on graphs that can boost Message Passing Graph Neural Networks (MP-GNNs) by providing additional node and edge features or extending message-passing formats. The proposed…

Machine Learning · Computer Science 2024-05-03 Nurudin Alvarez-Gonzalez , Andreas Kaltenbrunner , Vicenç Gómez

Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…

Machine Learning · Computer Science 2023-04-12 Weitao Du , Yuanqi Du , Limei Wang , Dieqiao Feng , Guifeng Wang , Shuiwang Ji , Carla Gomes , Zhi-Ming Ma

Transformers, adapted from natural language processing, are emerging as a leading approach for graph representation learning. Contemporary graph transformers often treat nodes or edges as separate tokens. This approach leads to…

Machine Learning · Computer Science 2023-10-04 Zihan Pengmei , Zimu Li , Chih-chan Tien , Risi Kondor , Aaron R. Dinner

Recently the Transformer structure has shown good performances in graph learning tasks. However, these Transformer models directly work on graph nodes and may have difficulties learning high-level information. Inspired by the vision…

Machine Learning · Computer Science 2023-04-11 Han Gao , Xu Han , Jiaoyang Huang , Jian-Xun Wang , Li-Ping Liu

While Hyperbolic Graph Neural Network (HGNN) has recently emerged as a powerful tool dealing with hierarchical graph data, the limitations of scalability and efficiency hinder itself from generalizing to deep models. In this paper, by…

Machine Learning · Computer Science 2024-06-10 Jiaxu Liu , Xinping Yi , Sihao Wu , Xiangyu Yin , Tianle Zhang , Xiaowei Huang , Shi Jin

A graph is a powerful concept for representation of relations between pairs of entities. Data with underlying graph structure can be found across many disciplines and there is a natural desire for understanding such data better. Deep…

Machine Learning · Computer Science 2019-01-25 Martin Simonovsky

Recent studies have highlighted the limitations of message-passing based graph neural networks (GNNs), e.g., limited model expressiveness, over-smoothing, over-squashing, etc. To alleviate these issues, Graph Transformers (GTs) have been…

Machine Learning · Computer Science 2023-03-06 Qiheng Mao , Zemin Liu , Chenghao Liu , Jianling Sun

Real-time particle transverse momentum ($p_T$) estimation in high-energy physics demands algorithms that are both efficient and accurate under strict hardware constraints. Static machine learning models degrade under high pileup and lack…

Machine Learning · Computer Science 2026-04-21 Md Abrar Jahin , Shahriar Soudeep , M. F. Mridha , Muhammad Mostafa Monowar , Md. Abdul Hamid

Knowledge hypergraphs generalize knowledge graphs using hyperedges to connect multiple entities and depict complicated relations. Existing methods either transform hyperedges into an easier-to-handle set of binary relations or view…

Machine Learning · Computer Science 2024-12-18 Mengfan Li , Xuanhua Shi , Chenqi Qiao , Teng Zhang , Hai Jin

Understanding spatial location and relationships is a fundamental capability for modern artificial intelligence systems. Insights from human spatial cognition provide valuable guidance in this domain. Neuroscientific discoveries have…

Neural and Evolutionary Computing · Computer Science 2024-09-17 Boyang Li , Yulin Wu , Nuoxian Huang , Wenjia Zhang