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Graph Transformers (GTs) facilitate the comprehension of graph-structured data by calculating the self-attention of node pairs without considering node position information. To address this limitation, we introduce an innovative and…

Machine Learning · Computer Science 2023-12-12 Kushal Bose , Swagatam Das

Graph Neural Networks (GNNs) are deep learning methods which provide the current state of the art performance in node classification tasks. GNNs often assume homophily -- neighboring nodes having similar features and labels--, and therefore…

Machine Learning · Computer Science 2021-10-26 Liheng Ma , Reihaneh Rabbany , Adriana Romero-Soriano

The graph Laplacian regularization term is usually used in semi-supervised representation learning to provide graph structure information for a model $f(X)$. However, with the recent popularity of graph neural networks (GNNs), directly…

Machine Learning · Computer Science 2020-12-22 Han Yang , Kaili Ma , James Cheng

Graph neural networks (GNNs) are deep learning models designed specifically for graph data, and they typically rely on node features as the input to the first layer. When applying such a type of network on the graph without node features,…

Leveraging Graph Neural Networks (GNNs) as graph encoders and aligning the resulting representations with Large Language Models (LLMs) through alignment instruction tuning has become a mainstream paradigm for constructing Graph Language…

Machine Learning · Computer Science 2026-05-13 Haibo Chen , Xin Wang , Jiaheng Chao , Ling Feng , Wenwu Zhu

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

We propose a novel positional encoding for learning graph on Transformer architecture. Existing approaches either linearize a graph to encode absolute position in the sequence of nodes, or encode relative position with another node using…

Machine Learning · Computer Science 2022-10-17 Wonpyo Park , Woonggi Chang , Donggeon Lee , Juntae Kim , Seung-won Hwang

In this work, we propose novel families of positional encodings tailored to graph neural networks obtained with quantum computers. These encodings leverage the long-range correlations inherent in quantum systems that arise from mapping the…

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Graph neural networks (GNNs) emerge as a powerful family of representation learning models on graphs. To derive node representations, they utilize a global model that recursively aggregates information from the neighboring nodes. However,…

Machine Learning · Computer Science 2021-11-04 Zemin Liu , Yuan Fang , Chenghao Liu , Steven C. H. Hoi

Positional Encodings (PEs) are essential for injecting structural information into Graph Neural Networks (GNNs), particularly Graph Transformers, yet their empirical impact remains insufficiently understood. We introduce a unified…

Machine Learning · Computer Science 2026-01-15 Florian Grötschla , Jiaqing Xie , Roger Wattenhofer

This study reports an unintuitive finding that positional encoding enhances learning of recurrent neural networks (RNNs). Positional encoding is a high-dimensional representation of time indices on input data. Most famously, positional…

Machine Learning · Computer Science 2024-11-28 Takashi Morita

Message passing graph neural networks are widely used for learning on graphs, yet their expressive power is limited by the one-dimensional Weisfeiler-Lehman test and can fail to distinguish structurally different nodes. We provide rigorous…

Machine Learning · Computer Science 2025-11-25 Zimo Yan , Zheng Xie , Chang Liu , Yuan Wang

Positional and structural encodings (PSE) enable better identifiability of nodes within a graph, rendering them essential tools for empowering modern GNNs, and in particular graph Transformers. However, designing PSEs that work optimally…

Graph neural networks (GNNs) have demonstrated remarkable capabilities in learning from graph-structured data, often outperforming traditional Multilayer Perceptrons (MLPs) in numerous graph-based tasks. Although existing works have…

Machine Learning · Computer Science 2025-06-09 Wei Huang , Yuan Cao , Haonan Wang , Xin Cao , Taiji Suzuki

Graph Neural Networks (GNNs) have emerged as powerful tools for learning representations of graph-structured data. In addition to real-valued GNNs, quaternion GNNs also perform well on tasks on graph-structured data. With the aim of…

Machine Learning · Computer Science 2025-03-03 Rucha Bhalchandra Joshi , Sagar Prakash Barad , Nidhi Tiwari , Subhankar Mishra

We present a simple and effective approach to incorporating syntactic structure into neural attention-based encoder-decoder models for machine translation. We rely on graph-convolutional networks (GCNs), a recent class of neural networks…

Computation and Language · Computer Science 2020-06-22 Jasmijn Bastings , Ivan Titov , Wilker Aziz , Diego Marcheggiani , Khalil Sima'an

Dynamic graphs arise in a plethora of practical scenarios such as social networks, communication networks, and financial transaction networks. Given a dynamic graph, it is fundamental and essential to learn a graph representation that is…

Machine Learning · Computer Science 2021-06-15 Menglin Yang , Ziqiao Meng , Irwin King

Most existing graph neural networks (GNNs) learn node embeddings using the framework of message passing and aggregation. Such GNNs are incapable of learning relative positions between graph nodes within a graph. To empower GNNs with the…

Machine Learning · Computer Science 2024-11-05 Zhenyue Qin , Yiqun Zhang Saeed Anwar , Dongwoo Kim , Yang Liu , Pan Ji , Tom Gedeon

Graph Neural Networks (GNNs) bring the power of deep representation learning to graph and relational data and achieve state-of-the-art performance in many applications. GNNs compute node representations by taking into account the topology…

Machine Learning · Computer Science 2021-09-10 Maria Kalantzi , George Karypis