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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

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

Positional encodings (PEs) are essential for effective graph representation learning because they provide position awareness in inherently position-agnostic transformer architectures and increase the expressive capacity of Graph Neural…

Machine Learning · Computer Science 2025-02-04 Charilaos I. Kanatsoulis , Evelyn Choi , Stephanie Jegelka , Jure Leskovec , Alejandro Ribeiro

A current goal in the graph neural network literature is to enable transformers to operate on graph-structured data, given their success on language and vision tasks. Since the transformer's original sinusoidal positional encodings (PEs)…

Machine Learning · Computer Science 2023-04-11 Patrick Soga , David Chiang

Designing effective positional encodings for graphs is key to building powerful graph transformers and enhancing message-passing graph neural networks. Although widespread, using Laplacian eigenvectors as positional encodings faces two…

Machine Learning · Computer Science 2024-06-11 Yinan Huang , William Lu , Joshua Robinson , Yu Yang , Muhan Zhang , Stefanie Jegelka , Pan Li

Transformers were originally proposed as a sequence-to-sequence model for text but have become vital for a wide range of modalities, including images, audio, video, and undirected graphs. However, transformers for directed graphs are a…

Machine Learning · Computer Science 2023-09-01 Simon Geisler , Yujia Li , Daniel Mankowitz , Ali Taylan Cemgil , Stephan Günnemann , Cosmin Paduraru

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

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

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

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

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 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 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

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

We aim to deepen the theoretical understanding of Graph Neural Networks (GNNs) on large graphs, with a focus on their expressive power. Existing analyses relate this notion to the graph isomorphism problem, which is mostly relevant for…

Machine Learning · Computer Science 2023-05-25 Nicolas Keriven , Samuel Vaiter

Graph neural networks (GNNs) are the primary tool for processing graph-structured data. Unfortunately, the most commonly used GNNs, called Message Passing Neural Networks (MPNNs) suffer from several fundamental limitations. To overcome…

Machine Learning · Computer Science 2022-11-11 Sohir Maskey , Ali Parviz , Maximilian Thiessen , Hannes Stärk , Ylli Sadikaj , Haggai Maron

Temporal graph learning has applications in recommendation systems, traffic forecasting, and social network analysis. Although multiple architectures have been introduced, progress in positional encoding for temporal graphs remains limited.…

Machine Learning · Computer Science 2025-06-03 Yaniv Galron , Fabrizio Frasca , Haggai Maron , Eran Treister , Moshe Eliasof

Graph Transformers are popular neural networks that extend the well-known Transformer architecture to the graph domain. These architectures operate by applying self-attention on graph nodes and incorporating graph structure through the use…

Machine Learning · Computer Science 2025-02-04 Linus Bao , Emily Jin , Michael Bronstein , İsmail İlkan Ceylan , Matthias Lanzinger

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
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