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Message Passing Neural Networks have recently become the most popular approach to graph machine learning tasks; however, their receptive field is limited by the number of message passing layers. To increase the receptive field, Graph…

Machine Learning · Computer Science 2026-04-10 Oleg Platonov , Liudmila Prokhorenkova

In the realm of graph learning, there is a category of methods that conceptualize graphs as hierarchical structures, utilizing node clustering to capture broader structural information. While generally effective, these methods often rely on…

Machine Learning · Computer Science 2024-12-25 Siyuan Huang , Yunchong Song , Jiayue Zhou , Zhouhan Lin

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

Transformer architecture has become ubiquitous in the natural language processing field. To interpret the Transformer-based models, their attention patterns have been extensively analyzed. However, the Transformer architecture is not only…

Computation and Language · Computer Science 2021-09-16 Goro Kobayashi , Tatsuki Kuribayashi , Sho Yokoi , Kentaro Inui

An attention matrix of a transformer self-attention sublayer can provably be decomposed into two components and only one of them (effective attention) contributes to the model output. This leads us to ask whether visualizing effective…

Computation and Language · Computer Science 2021-05-20 Kaiser Sun , Ana Marasović

Attention mechanisms are a central property of cognitive systems allowing them to selectively deploy cognitive resources in a flexible manner. Attention has been long studied in the neurosciences and there are numerous phenomenological…

Machine Learning · Computer Science 2023-04-11 Ryan Singh , Christopher L. Buckley

The advent of Transformers marked a significant breakthrough in sequence modelling, providing a highly performant architecture capable of leveraging GPU parallelism. However, Transformers are computationally expensive at inference time,…

Machine Learning · Computer Science 2024-05-29 Leo Feng , Frederick Tung , Hossein Hajimirsadeghi , Mohamed Osama Ahmed , Yoshua Bengio , Greg Mori

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

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

Transformer model with multi-head attention requires caching intermediate results for efficient inference in generation tasks. However, cache brings new memory-related costs and prevents leveraging larger batch size for faster speed. We…

Computation and Language · Computer Science 2021-06-15 Yu Yan , Jiusheng Chen , Weizhen Qi , Nikhil Bhendawade , Yeyun Gong , Nan Duan , Ruofei Zhang

Transformers have demonstrated remarkable performance across diverse domains. The key component of Transformers is self-attention, which learns the relationship between any two tokens in the input sequence. Recent studies have revealed that…

Machine Learning · Computer Science 2025-05-14 Hyowon Wi , Jeongwhan Choi , Noseong Park

Transformers can under some circumstances generalize to novel problem instances whose constituent parts might have been encountered during training, but whose compositions have not. What mechanisms underlie this ability for compositional…

Machine Learning · Computer Science 2025-02-18 Simon Schug , Seijin Kobayashi , Yassir Akram , João Sacramento , Razvan Pascanu

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

Learning algorithms become more powerful, often at the cost of increased complexity. In response, the demand for algorithms to be transparent is growing. In NLP tasks, attention distributions learned by attention-based deep learning models…

Computation and Language · Computer Science 2019-07-09 Joris Baan , Maartje ter Hoeve , Marlies van der Wees , Anne Schuth , Maarten de Rijke

Graph classification is a problem with practical applications in many different domains. Most of the existing methods take the entire graph into account when calculating graph features. In a graphlet-based approach, for instance, the entire…

Machine Learning · Computer Science 2017-09-20 John Boaz Lee , Ryan Rossi , Xiangnan Kong

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

Many machine learning tasks such as multiple instance learning, 3D shape recognition, and few-shot image classification are defined on sets of instances. Since solutions to such problems do not depend on the order of elements of the set,…

Machine Learning · Computer Science 2019-05-28 Juho Lee , Yoonho Lee , Jungtaek Kim , Adam R. Kosiorek , Seungjin Choi , Yee Whye Teh

Existing research largely attributes the global sequence modeling capability of Transformers to the explicit computation of attention weights, a process that inherently incurs quadratic computational complexity. In this work, we offer a…

Computer Vision and Pattern Recognition · Computer Science 2026-05-07 Ruize He , Dongchen Han , Gao Huang

The Transformer translation model is based on the multi-head attention mechanism, which can be parallelized easily. The multi-head attention network performs the scaled dot-product attention function in parallel, empowering the model by…

Computation and Language · Computer Science 2021-09-13 Hongfei Xu , Qiuhui Liu , Josef van Genabith , Deyi Xiong

Attention-based models, exemplified by the Transformer, can effectively model long range dependency, but suffer from the quadratic complexity of self-attention operation, making them difficult to be adopted for high-resolution image…

Computer Vision and Pattern Recognition · Computer Science 2021-12-28 Long Zhao , Zizhao Zhang , Ting Chen , Dimitris N. Metaxas , Han Zhang