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Transformers, renowned for their self-attention mechanism, have achieved state-of-the-art performance across various tasks in natural language processing, computer vision, time-series modeling, etc. However, one of the challenges with deep…

Machine Learning · Computer Science 2024-11-04 Jeongwhan Choi , Hyowon Wi , Jayoung Kim , Yehjin Shin , Kookjin Lee , Nathaniel Trask , Noseong Park

Session-based recommendation systems suggest relevant items to users by modeling user behavior and preferences using short-term anonymous sessions. Existing methods leverage Graph Neural Networks (GNNs) that propagate and aggregate…

Information Retrieval · Computer Science 2022-01-10 Sai Mitheran , Abhinav Java , Surya Kant Sahu , Arshad Shaikh

The Transformer architecture has gained growing attention in graph representation learning recently, as it naturally overcomes several limitations of graph neural networks (GNNs) by avoiding their strict structural inductive biases and…

Machine Learning · Statistics 2022-06-14 Dexiong Chen , Leslie O'Bray , Karsten Borgwardt

The emerging graph Transformers have achieved impressive performance for graph representation learning over graph neural networks (GNNs). In this work, we regard the self-attention mechanism, the core module of graph Transformers, as a…

Machine Learning · Computer Science 2023-10-18 Jinsong Chen , Gaichao Li , John E. Hopcroft , Kun He

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

The paradigm of Transformers using the self-attention mechanism has manifested its advantage in learning graph-structured data. Yet, Graph Transformers are capable of modeling full range dependencies but are often deficient in extracting…

Machine Learning · Computer Science 2024-09-11 Minhong Zhu , Zhenhao Zhao , Weiran Cai

Transformer architecture has shown impressive performance in multiple research domains and has become the backbone of many neural network models. However, there is limited understanding on how it works. In particular, with a simple…

Computation and Language · Computer Science 2023-10-31 Yuandong Tian , Yiping Wang , Beidi Chen , Simon Du

Transformer-based models have emerged as a leading architecture for natural language processing, natural language generation, and image generation tasks. A fundamental element of the transformer architecture is self-attention, which allows…

Machine Learning · Computer Science 2025-07-01 Venmugil Elango

The self-attention mechanism, a cornerstone of Transformer-based state-of-the-art deep learning architectures, is largely heuristic-driven and fundamentally challenging to interpret. Establishing a robust theoretical foundation to explain…

Computer Vision and Pattern Recognition · Computer Science 2026-02-10 Laziz U. Abdullaev , Maksim Tkachenko , Tan M. Nguyen

Attention mechanisms have become a cornerstone in modern neural networks, driving breakthroughs across diverse domains. However, their application to graph structured data, where capturing topological connections is essential, remains…

Machine Learning · Computer Science 2025-09-19 Xuanting Xie , Bingheng Li , Erlin Pan , Rui Hou , Wenyu Chen , Zhao Kang

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

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

Linear attention mechanisms have emerged as efficient alternatives to full self-attention in Graph Transformers, offering linear time complexity. However, existing linear attention models often suffer from a significant drop in…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Zhaolin Hu , Kun Li , Hehe Fan , Yi Yang

Transformer networks, driven by self-attention, are central to Large Language Models. In generative Transformers, self-attention uses cache memory to store token projections, avoiding recomputation at each time step. However, GPU-stored…

Neural and Evolutionary Computing · Computer Science 2024-11-26 Nathan Leroux , Paul-Philipp Manea , Chirag Sudarshan , Jan Finkbeiner , Sebastian Siegel , John Paul Strachan , Emre Neftci

Graph neural networks are powerful architectures for structured datasets. However, current methods struggle to represent long-range dependencies. Scaling the depth or width of GNNs is insufficient to broaden receptive fields as larger GNNs…

Machine Learning · Computer Science 2022-01-24 Zhanghao Wu , Paras Jain , Matthew A. Wright , Azalia Mirhoseini , Joseph E. Gonzalez , Ion Stoica

We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism, merging concepts from graph neural networks and language modeling. Building on the inherent…

Machine Learning · Computer Science 2025-03-06 Markus J. Buehler

In representation learning on graph-structured data, many popular graph neural networks (GNNs) fail to capture long-range dependencies, leading to performance degradation. Furthermore, this weakness is magnified when the concerned graph is…

Machine Learning · Computer Science 2024-03-07 Mengying Jiang , Guizhong Liu , Yuanchao Su , Xinliang Wu

Recent advances in deep learning have established Transformer architectures as the predominant modeling paradigm. Central to the success of Transformers is the self-attention mechanism, which scores the similarity between query and key…

Machine Learning · Computer Science 2025-03-05 Jie Zhang , Mao-Hsuan Mao , Bo-Wei Chiu , Min-Te Sun

Graph Transformers (GTs) have demonstrated superior performance compared to traditional message-passing graph neural networks in many studies, especially in processing graph data with long-range dependencies. However, GTs tend to suffer…

Machine Learning · Computer Science 2025-04-30 Zhonghao Li , Ji Shi , Xinming Zhang , Miao Zhang , Bo Li

Dynamic graph learning plays a pivotal role in modeling evolving relationships over time, especially for temporal link prediction tasks in domains such as traffic systems, social networks, and recommendation platforms. While…

Machine Learning · Computer Science 2025-11-18 Tao Zou , Chengfeng Wu , Tianxi Liao , Junchen Ye , Bowen Du
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