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Spectral graph neural networks (GNNs) learn graph representations via spectral-domain graph convolutions. However, most existing spectral graph filters are scalar-to-scalar functions, i.e., mapping a single eigenvalue to a single filtered…

Machine Learning · Computer Science 2023-03-03 Deyu Bo , Chuan Shi , Lele Wang , Renjie Liao

We introduce Quantum Graph Attention Networks (QGATs) as trainable quantum encoders for inductive learning on graphs, extending the Quantum Graph Neural Networks (QGNN) framework. QGATs leverage parameterized quantum circuits to encode node…

Quantum Physics · Physics 2025-09-16 Arthur M. Faria , Mehdi Djellabi , Igor O. Sokolov , Savvas Varsamopoulos

The paradigm of Transformers using the self-attention mechanism has manifested its advantage in learning graph-structured data. Yet, Graph Transformers are capable of modeling full range dependencies but are often deficient in extracting…

Machine Learning · Computer Science 2024-09-11 Minhong Zhu , Zhenhao Zhao , Weiran Cai

Graphs have become a central representation in machine learning for capturing relational and structured data across various domains. Traditional graph neural networks often struggle to capture long-range dependencies between nodes due to…

Machine Learning · Computer Science 2025-08-26 Leon Dimitrov

Hypergraphs play a pivotal role in the modelling of data featuring higher-order relations involving more than two entities. Hypergraph neural networks emerge as a powerful tool for processing hypergraph-structured data, delivering…

Machine Learning · Computer Science 2024-06-04 Zexi Liu , Bohan Tang , Ziyuan Ye , Xiaowen Dong , Siheng Chen , Yanfeng Wang

There has been a recent surge in transformer-based architectures for learning on graphs, mainly motivated by attention as an effective learning mechanism and the desire to supersede handcrafted operators characteristic of message passing…

Machine Learning · Computer Science 2025-06-10 David Buterez , Jon Paul Janet , Dino Oglic , Pietro Lio

We show that standard Transformers without graph-specific modifications can lead to promising results in graph learning both in theory and practice. Given a graph, we simply treat all nodes and edges as independent tokens, augment them with…

Machine Learning · Computer Science 2022-10-25 Jinwoo Kim , Tien Dat Nguyen , Seonwoo Min , Sungjun Cho , Moontae Lee , Honglak Lee , Seunghoon Hong

Existing efforts are dedicated to designing many topologies and graph-aware strategies for the graph Transformer, which greatly improve the model's representation capabilities. However, manually determining the suitable Transformer…

Neural and Evolutionary Computing · Computer Science 2024-10-24 Chao Wang , Jiaxuan Zhao , Lingling Li , Licheng Jiao , Fang Liu , Shuyuan Yang

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

Can we model Non-Euclidean graphs as pure language or even Euclidean vectors while retaining their inherent information? The Non-Euclidean property have posed a long term challenge in graph modeling. Despite recent graph neural networks and…

Machine Learning · Computer Science 2024-05-30 Zhangyang Gao , Daize Dong , Cheng Tan , Jun Xia , Bozhen Hu , Stan Z. Li

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize…

Machine Learning · Computer Science 2025-06-04 Xiaohui Chen , Yinkai Wang , Jiaxing He , Yuanqi Du , Soha Hassoun , Xiaolin Xu , Li-Ping Liu

Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under…

Machine Learning · Computer Science 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

Machine Learning · Computer Science 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

Graph Transformer has demonstrated impressive capabilities in the field of graph representation learning. However, existing approaches face two critical challenges: (1) most models suffer from exponentially increasing computational…

Graph embedding algorithms are used to efficiently represent (encode) a graph in a low-dimensional continuous vector space that preserves the most important properties of the graph. One aspect that is often overlooked is whether the graph…

Machine Learning · Computer Science 2020-01-31 Zekarias T. Kefato , Nasrullah Sheikh , Alberto Montresor

Graph Transformer is gaining increasing attention in the field of machine learning and has demonstrated state-of-the-art performance on benchmarks for graph representation learning. However, as current implementations of Graph Transformer…

Machine Learning · Computer Science 2023-05-08 Wenhao Zhu , Tianyu Wen , Guojie Song , Xiaojun Ma , Liang Wang

Graph Transformers (GTs) have significantly advanced the field of graph representation learning by overcoming the limitations of message-passing graph neural networks (GNNs) and demonstrating promising performance and expressive power.…

Machine Learning · Computer Science 2024-05-07 Wenhao Zhu , Guojie Song , Liang Wang , Shaoguo Liu

Multi-graph learning is crucial for extracting meaningful signals from collections of heterogeneous graphs. However, effectively integrating information across graphs with differing topologies, scales, and semantics, often in the absence of…

Machine Learning · Computer Science 2026-02-02 Zahra Moslemi , Ziyi Liang , Norbert Fortin , Babak Shahbaba

A foundation model like GPT elicits many emergent abilities, owing to the pre-training with broad inclusion of data and the use of the powerful Transformer architecture. While foundation models in natural languages are prevalent, can we…

Machine Learning · Computer Science 2025-06-18 Ziyuan Tang , Jie Chen

Existing Graph Neural Networks (GNNs) compute the message exchange between nodes by either aggregating uniformly (convolving) the features of all the neighboring nodes, or by applying a non-uniform score (attending) to the features. Recent…

Machine Learning · Computer Science 2023-03-02 Adrián Javaloy , Pablo Sanchez-Martin , Amit Levi , Isabel Valera