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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 present diffusion-convolutional neural networks (DCNNs), a new model for graph-structured data. Through the introduction of a diffusion-convolution operation, we show how diffusion-based representations can be learned from…

Machine Learning · Computer Science 2016-07-11 James Atwood , Don Towsley

Transformer architecture has emerged to be successful in a number of natural language processing tasks. However, its applications to medical vision remain largely unexplored. In this study, we present UTNet, a simple yet powerful hybrid…

Computer Vision and Pattern Recognition · Computer Science 2021-09-29 Yunhe Gao , Mu Zhou , Dimitris Metaxas

Predicting the effect of amino acid mutations on enzyme thermodynamic stability (DDG) is fundamental to protein engineering and drug design. While recent deep learning approaches have shown promise, they often process sequence and structure…

Machine Learning · Computer Science 2025-11-10 Abigail Lin

Convolutional Neural networks (CNN) have been the first choice of paradigm in many computer vision applications. The convolution operation however has a significant weakness which is it only operates on a local neighborhood of pixels, thus…

Computer Vision and Pattern Recognition · Computer Science 2022-06-14 Michael Yang

In the field of deep learning, Graph Neural Networks (GNNs) and Graph Transformer models, with their outstanding performance and flexible architectural designs, have become leading technologies for processing structured data, especially…

Machine Learning · Computer Science 2025-02-04 Jiawei E , Yinglong Zhang , Xuewen Xia , Xing Xu

End-to-end Transformer-based detectors (DETRs) have demonstrated strong detection performance. However, domain generalization (DG) research has primarily focused on convolutional neural network (CNN)-based detectors, while paying little…

Computer Vision and Pattern Recognition · Computer Science 2025-11-13 Seongmin Hwang , Daeyoung Han , Moongu Jeon

The Transformer is a highly successful deep learning model that has revolutionised the world of artificial neural networks, first in natural language processing and later in computer vision. This model is based on the attention mechanism…

Machine Learning · Computer Science 2023-05-09 Riccardo Ughi , Eugenio Lomurno , Matteo Matteucci

The Transformer architecture has inarguably revolutionized deep learning, overtaking classical architectures like multi-layer perceptrons (MLPs) and convolutional neural networks (CNNs). At its core, the attention block differs in form and…

Machine Learning · Computer Science 2025-03-18 Weronika Ormaniec , Felix Dangel , Sidak Pal Singh

Recurrent Neural Networks were, until recently, one of the best ways to capture the timely dependencies in sequences. However, with the introduction of the Transformer, it has been proven that an architecture with only attention-mechanisms…

Machine Learning · Computer Science 2021-08-19 Radostin Cholakov , Todor Kolev

Transformers have recently gained attention in the computer vision domain due to their ability to model long-range dependencies. However, the self-attention mechanism, which is the core part of the Transformer model, usually suffers from…

Computer Vision and Pattern Recognition · Computer Science 2023-07-28 Reza Azad , René Arimond , Ehsan Khodapanah Aghdam , Amirhossein Kazerouni , Dorit Merhof

Temporal graph neural networks (TGNNs) outperform regular GNNs by incorporating time information into graph-based operations. However, TGNNs adopt specialized models (e.g., TGN, TGAT, and APAN ) and require tailored training frameworks…

Machine Learning · Computer Science 2024-09-19 Qiang Huang , Xiao Yan , Xin Wang , Susie Xi Rao , Zhichao Han , Fangcheng Fu , Wentao Zhang , Jiawei Jiang

Graph Transformers (GTs) have emerged as a promising graph learning tool, leveraging their all-pair connected property to effectively capture global information. To address the over-smoothing problem in deep GNNs, global attention was…

Machine Learning · Computer Science 2025-12-17 Chaohao Yuan , Zhenjie Song , Ercan Engin Kuruoglu , Kangfei Zhao , Yang Liu , Deli Zhao , Hong Cheng , Yu Rong

Graph Transformer (GT) recently has emerged as a new paradigm of graph learning algorithms, outperforming the previously popular Message Passing Neural Network (MPNN) on multiple benchmarks. Previous work (Kim et al., 2022) shows that with…

Machine Learning · Computer Science 2023-06-22 Chen Cai , Truong Son Hy , Rose Yu , Yusu Wang

Transformers are a popular choice for classification tasks and as backbones for object detection tasks. However, their high latency brings challenges in their adaptation to lightweight object detection systems. We present an approximation…

Computer Vision and Pattern Recognition · Computer Science 2022-10-11 Dharma KC , Venkata Ravi Kiran Dayana , Meng-Lin Wu , Venkateswara Rao Cherukuri , Hau Hwang

Transformers have recently shown superior performances on various vision tasks. The large, sometimes even global, receptive field endows Transformer models with higher representation power over their CNN counterparts. Nevertheless, simply…

Computer Vision and Pattern Recognition · Computer Science 2022-05-25 Zhuofan Xia , Xuran Pan , Shiji Song , Li Erran Li , Gao Huang

Recently, Transformer model, which has achieved great success in many artificial intelligence fields, has demonstrated its great potential in modeling graph-structured data. Till now, a great variety of Transformers has been proposed to…

Machine Learning · Computer Science 2022-02-18 Erxue Min , Runfa Chen , Yatao Bian , Tingyang Xu , Kangfei Zhao , Wenbing Huang , Peilin Zhao , Junzhou Huang , Sophia Ananiadou , Yu Rong

Since their introduction the Trasformer architectures emerged as the dominating architectures for both natural language processing and, more recently, computer vision applications. An intrinsic limitation of this family of "fully-attentive"…

Machine Learning · Computer Science 2023-03-16 Carmelo Scribano , Giorgia Franchini , Marco Prato , Marko Bertogna

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

Recurrent neural networks are effective models to process sequences. However, they are unable to learn long-term dependencies because of their inherent sequential nature. As a solution, Vaswani et al. introduced the Transformer, a model…

Machine Learning · Computer Science 2023-03-28 Quentin Fournier , Gaétan Marceau Caron , Daniel Aloise