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We propose an extension to the transformer neural network architecture for general-purpose graph learning by adding a dedicated pathway for pairwise structural information, called edge channels. The resultant framework - which we call…

Machine Learning · Computer Science 2022-06-06 Md Shamim Hussain , Mohammed J. Zaki , Dharmashankar Subramanian

In machine learning, data is usually represented in a (flat) Euclidean space where distances between points are along straight lines. Researchers have recently considered more exotic (non-Euclidean) Riemannian manifolds such as hyperbolic…

Machine Learning · Computer Science 2021-01-12 Marc T. Law , Jos Stam

Transformer architectures are now central to sequence modeling tasks. At its heart is the attention mechanism, which enables effective modeling of long-term dependencies in a sequence. Recently, transformers have been successfully applied…

Computer Vision and Pattern Recognition · Computer Science 2022-06-16 Lin Zheng , Huijie Pan , Lingpeng Kong

Graph Transformers (GTs) have shown strong empirical performance, yet current architectures vary widely in their use of attention mechanisms, positional embeddings (PEs), and expressivity. Existing expressivity results are often tied to…

Machine Learning · Computer Science 2025-11-12 Timo Stoll , Luis Müller , Christopher Morris

Learning universal graph representations across heterogeneous domains is difficult because graph datasets differ in topology, node-attribute semantics, feature dimensions, and even attribute availability. We propose GraphVec, a…

Machine Learning · Computer Science 2026-05-08 Qi Feng , Jicong Fan

Convolutional Neural Networks (CNN) have been successful in processing data signals that are uniformly sampled in the spatial domain (e.g., images). However, most data signals do not natively exist on a grid, and in the process of being…

Computer Vision and Pattern Recognition · Computer Science 2019-01-09 Chiyu "Max" Jiang , Dequan Wang , Jingwei Huang , Philip Marcus , Matthias Nießner

The capability of generalization is a cornerstone for the success of modern learning systems. For non-Euclidean data, e.g., graphs, that particularly involves topological structures, one important aspect neglected by prior studies is how…

Machine Learning · Computer Science 2025-06-24 Qitian Wu , Chenxiao Yang , Kaipeng Zeng , Michael Bronstein

Graphs are the natural data structure to represent relational and structural information in many domains. To cover the broad range of graph-data applications including graph classification as well as graph generation, it is desirable to…

Machine Learning · Computer Science 2020-06-11 Sanghyun Yoo , Young-Seok Kim , Kang Hyun Lee , Kuhwan Jeong , Junhwi Choi , Hoshik Lee , Young Sang Choi

Transformer models typically calculate attention matrices using dot products, which have limitations when capturing nonlinear relationships between embedding vectors. We propose Neural Attention, a technique that replaces dot products with…

Machine Learning · Computer Science 2025-11-10 Andrew DiGiugno , Ausif Mahmood

Attention networks have proven to be an effective approach for embedding categorical inference within a deep neural network. However, for many tasks we may want to model richer structural dependencies without abandoning end-to-end training.…

Computation and Language · Computer Science 2017-02-17 Yoon Kim , Carl Denton , Luong Hoang , Alexander M. Rush

Despite their central role in the success of foundational models and large-scale language modeling, the theoretical foundations governing the operation of Transformers remain only partially understood. Contemporary research has largely…

Machine Learning · Computer Science 2025-06-02 Sagar Ghosh , Kushal Bose , Swagatam Das

Transformers have emerged as a powerful neural network architecture capable of tackling a wide range of learning tasks. In this work, we provide a theoretical analysis of their ability to automatically extract structure from data in an…

Machine Learning · Statistics 2025-10-29 Rodrigo Maulen-Soto , Pierre Marion , Claire Boyer

Large language models based on the Transformer architecture have demonstrated impressive capabilities to learn in context. However, existing theoretical studies on how this phenomenon arises are limited to the dynamics of a single layer of…

Machine Learning · Statistics 2024-06-04 Juno Kim , Taiji Suzuki

Graph-based clustering plays an important role in the clustering area. Recent studies about graph convolution neural networks have achieved impressive success on graph type data. However, in general clustering tasks, the graph structure of…

Machine Learning · Computer Science 2024-04-23 Xuelong Li , Hongyuan Zhang , Rui Zhang

Learning representations on large graphs is a long-standing challenge due to the inter-dependence nature. Transformers recently have shown promising performance on small graphs thanks to its global attention for capturing all-pair…

Machine Learning · Computer Science 2024-09-16 Qitian Wu , Kai Yang , Hengrui Zhang , David Wipf , Junchi Yan

The irreducible complexity of natural phenomena has led Graph Neural Networks to be employed as a standard model to perform representation learning tasks on graph-structured data. While their capacity to capture local and global patterns is…

Machine Learning · Computer Science 2024-02-13 Lorenzo Giusti

Designing effective graph neural networks (GNNs) with message passing has two fundamental challenges, i.e., determining optimal message-passing pathways and designing local aggregators. Previous methods of designing optimal pathways are…

Machine Learning · Computer Science 2024-11-01 Junshu Sun , Shuhui Wang , Chenxue Yang , Qingming Huang

As more deep learning models are being applied in real-world applications, there is a growing need for modeling and learning the representations of neural networks themselves. An efficient representation can be used to predict target…

Machine Learning · Computer Science 2023-10-17 Yun Yi , Haokui Zhang , Rong Xiao , Nannan Wang , Xiaoyu Wang

Graph representation learning models aim to represent the graph structure and its features into low-dimensional vectors in a latent space, which can benefit various downstream tasks, such as node classification and link prediction. Due to…

Machine Learning · Computer Science 2023-04-27 Thanh Sang Nguyen , Jooho Lee , Van Thuy Hoang , O-Joun Lee

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

Machine Learning · Computer Science 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang