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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

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

Positional encodings (PEs) are essential for building powerful and expressive graph neural networks and graph transformers, as they effectively capture the relative spatial relationships between nodes. Although extensive research has been…

Machine Learning · Computer Science 2026-03-16 Yinan Huang , Haoyu Wang , Pan Li

The distinguishing power of graph transformers is closely tied to the choice of positional encoding: features used to augment the base transformer with information about the graph. There are two primary types of positional encoding:…

Machine Learning · Computer Science 2024-08-26 Mitchell Black , Zhengchao Wan , Gal Mishne , Amir Nayyeri , Yusu Wang

Supervised learning with tabular data presents unique challenges, including low data sizes, the absence of structural cues, and heterogeneous features spanning both categorical and continuous domains. Unlike vision and language tasks, where…

Machine Learning · Computer Science 2025-12-18 Yunze Leng , Rohan Ghosh , Mehul Motani

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

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) largely rely on the message-passing paradigm, where nodes iteratively aggregate information from their neighbors. Yet, standard message passing neural networks (MPNNs) face well-documented theoretical and…

Machine Learning · Computer Science 2026-05-15 Juan Amboage , Ernst Röell , Patrick Schnider , Bastian Rieck

Recently, Transformers for graph representation learning have become increasingly popular, achieving state-of-the-art performance on a wide-variety of graph datasets, either alone or in combination with message-passing graph neural networks…

Machine Learning · Computer Science 2024-05-07 Ayush Garg

Graph neural networks (GNNs) have become the standard learning architectures for graphs. GNNs have been applied to numerous domains ranging from quantum chemistry, recommender systems to knowledge graphs and natural language processing. A…

Machine Learning · Computer Science 2022-02-11 Vijay Prakash Dwivedi , Anh Tuan Luu , Thomas Laurent , Yoshua Bengio , Xavier Bresson

Recent advances in integrating positional and structural encodings (PSEs) into graph neural networks (GNNs) have significantly enhanced their performance across various graph learning tasks. However, the general applicability of these…

Machine Learning · Computer Science 2025-03-04 Billy Joe Franks , Moshe Eliasof , Semih Cantürk , Guy Wolf , Carola-Bibiane Schönlieb , Sophie Fellenz , Marius Kloft

Graph transformers extend global self-attention to graph-structured data, achieving notable success in graph learning. Recently, random walk structural encoding (RWSE) has been found to further enhance their predictive power by encoding…

Machine Learning · Computer Science 2025-06-03 Louis Airale , Antonio Longa , Mattia Rigon , Andrea Passerini , Roberto Passerone

The local inductive bias of message-passing graph neural networks (GNNs) hampers their ability to exploit key structural information (e.g., connectivity and cycles). Positional encoding (PE) and Persistent Homology (PH) have emerged as two…

Machine Learning · Computer Science 2025-06-09 Yogesh Verma , Amauri H. Souza , Vikas Garg

Graph self-supervised learning seeks to learn effective graph representations without relying on labeled data. Among various approaches, graph autoencoders (GAEs) have gained significant attention for their efficiency and scalability.…

Machine Learning · Computer Science 2025-06-17 Yang Liu , Deyu Bo , Wenxuan Cao , Yuan Fang , Yawen Li , Chuan Shi

Transformers are increasingly employed for graph data, demonstrating competitive performance in diverse tasks. To incorporate graph information into these models, it is essential to enhance node and edge features with positional encodings.…

Comorbidity, the co-occurrence of multiple medical conditions in a single patient, profoundly impacts disease management and outcomes. Understanding these complex interconnections is crucial, especially in contexts where comorbidities…

Machine Learning · Computer Science 2025-10-13 Xihan Qin , Li Liao

In this work, we theoretically demonstrate that current graph positional encodings (PEs) are not beneficial and could potentially hurt performance in tasks involving heterophilous graphs, where nodes that are close tend to have different…

Machine Learning · Computer Science 2025-04-30 Michael Ito , Jiong Zhu , Dexiong Chen , Danai Koutra , Jenna Wiens

Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to…

Machine Learning · Computer Science 2022-06-24 Haorui Wang , Haoteng Yin , Muhan Zhang , Pan Li

Transformer-based models have become the dominant paradigm for neural combinatorial optimization (NCO) of vehicle routing problems (VRPs), yet the role of positional encoding (PE) in these architectures remains largely unexplored. Unlike…

Recent advancements in large-scale pre-training have shown the potential to learn generalizable representations for downstream tasks. In the graph domain, however, capturing and transferring structural information across different graph…

Machine Learning · Computer Science 2026-02-24 Jialin Chen , Haolan Zuo , Haoyu Peter Wang , Siqi Miao , Pan Li , Rex Ying
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