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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

This paper introduces a novel approach to position embeddings in transformer models, named "Exact Positional Embeddings" (ExPE). An absolute positional embedding method that can extrapolate to sequences of lengths longer than the ones it…

Computation and Language · Computer Science 2025-10-06 Aleksis Datseris , Sylvia Vassileva , Ivan Koychev , Svetla Boytcheva

We show that viewing graphs as sets of node features and incorporating structural and positional information into a transformer architecture is able to outperform representations learned with classical graph neural networks (GNNs). Our…

Machine Learning · Computer Science 2021-06-11 Grégoire Mialon , Dexiong Chen , Margot Selosse , Julien Mairal

We introduce a novel positional encoding strategy for Transformer-style models, addressing the shortcomings of existing, often ad hoc, approaches. Our framework provides a flexible mapping from the algebraic specification of a domain to an…

Machine Learning · Computer Science 2024-11-01 Konstantinos Kogkalidis , Jean-Philippe Bernardy , Vikas Garg

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 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

Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar…

Machine Learning · Computer Science 2024-04-16 Tianhao Peng , Wenjun Wu , Haitao Yuan , Zhifeng Bao , Zhao Pengrui , Xin Yu , Xuetao Lin , Yu Liang , Yanjun Pu

Although graph-based learning has attracted a lot of attention, graph representation learning is still a challenging task whose resolution may impact key application fields such as chemistry or biology. To this end, we introduce GRALE, a…

Machine Learning · Computer Science 2025-10-21 Paul Krzakala , Gabriel Melo , Charlotte Laclau , Florence d'Alché-Buc , Rémi Flamary

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

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

Machine learning on graphs is an important and ubiquitous task with applications ranging from drug design to friendship recommendation in social networks. The primary challenge in this domain is finding a way to represent, or encode, graph…

Social and Information Networks · Computer Science 2018-04-11 William L. Hamilton , Rex Ying , Jure Leskovec

Transformers have demonstrated success in graph learning, particularly for node-level tasks. However, existing methods encounter an information bottleneck when generating graph-level representations. The prevalent single token paradigm…

Machine Learning · Computer Science 2026-02-11 Ruixiang Wang , Yuyang Hong , Shiming Xiang , Chunhong Pan

We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of…

Machine Learning · Computer Science 2023-01-18 Ladislav Rampášek , Mikhail Galkin , Vijay Prakash Dwivedi , Anh Tuan Luu , Guy Wolf , Dominique Beaini

Transformers rely on positional encoding to compensate for the inherent permutation invariance of self-attention. Traditional approaches use absolute sinusoidal embeddings or learned positional vectors, while more recent methods emphasize…

Machine Learning · Computer Science 2025-11-18 Chase van de Geijn , Ayush Paliwal , Timo Lüddecke , Alexander S. Ecker

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

Graph Transformers, which incorporate self-attention and positional encoding, have recently emerged as a powerful architecture for various graph learning tasks. Despite their impressive performance, the complex non-convex interactions…

Machine Learning · Computer Science 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

We propose a combination of a variational autoencoder and a transformer based model which fully utilises graph convolutional and graph pooling layers to operate directly on graphs. The transformer model implements a novel node encoding…

Machine Learning · Computer Science 2021-04-12 Joshua Mitton , Hans M. Senn , Klaas Wynne , Roderick Murray-Smith

Position encoding recently has shown effective in the transformer architecture. It enables valuable supervision for dependency modeling between elements at different positions of the sequence. In this paper, we first investigate various…

Computation and Language · Computer Science 2023-11-09 Jianlin Su , Yu Lu , Shengfeng Pan , Ahmed Murtadha , Bo Wen , Yunfeng Liu

We propose a new positional encoding method for a neural network architecture called the Transformer. Unlike the standard sinusoidal positional encoding, our approach is based on solid mathematical grounds and has a guarantee of not losing…

Machine Learning · Computer Science 2024-05-17 Tsuyoshi Idé , Jokin Labaien , Pin-Yu Chen