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Transformers have demonstrated great success in numerous domains including natural language processing and bioinformatics. This success stems from the use of the attention mechanism by these models in order to represent and propagate…

Machine Learning · Computer Science 2025-02-10 Nathaniel Tomczak , Sanmukh Kuppannagari

Hand gesture-based Sign Language Recognition (SLR) serves as a crucial communication bridge between deaf and non-deaf individuals. While Graph Convolutional Networks (GCNs) are common, they are limited by their reliance on fixed skeletal…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Koki Hirooka , Abu Saleh Musa Miah , Tatsuya Murakami , Md. Al Mehedi Hasan , Yong Seok Hwang , Jungpil Shin

Graph neural networks (GNNs) are the primary tool for processing graph-structured data. Unfortunately, the most commonly used GNNs, called Message Passing Neural Networks (MPNNs) suffer from several fundamental limitations. To overcome…

Machine Learning · Computer Science 2022-11-11 Sohir Maskey , Ali Parviz , Maximilian Thiessen , Hannes Stärk , Ylli Sadikaj , Haggai Maron

In this paper, we propose an explanation of representation for self-attention network (SAN) based neural sequence encoders, which regards the information captured by the model and the encoding of the model as graph structure and the…

Computation and Language · Computer Science 2023-03-15 Sufeng Duan , Hai Zhao

Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance…

Machine Learning · Computer Science 2023-03-01 Yi-Lun Liao , Tess Smidt

Graph convolutional networks (GCN) have recently demonstrated their potential in analyzing non-grid structure data that can be represented as graphs. The core idea is to encode the local topology of a graph, via convolutions, into the…

Machine Learning · Computer Science 2021-01-12 Yiding Yang , Xinchao Wang , Mingli Song , Junsong Yuan , Dacheng Tao

Self-attention mechanism in graph neural networks (GNNs) led to state-of-the-art performance on many graph representation learning tasks. Currently, at every layer, attention is computed between connected pairs of nodes and depends solely…

Machine Learning · Computer Science 2021-08-27 Guangtao Wang , Rex Ying , Jing Huang , Jure Leskovec

Traffic forecasting is crucial for public safety and resource optimization, yet is very challenging due to three aspects: i) current existing works mostly exploit intricate temporal patterns (e.g., the short-term thunderstorm and long-term…

Machine Learning · Computer Science 2022-01-19 Yuchen Fang , Yanjun Qin , Haiyong Luo , Fang Zhao , Bingbing Xu , Chenxing Wang , Liang Zeng

We present LaplaceGNN, a novel self-supervised graph learning framework that bypasses the need for negative sampling by leveraging spectral bootstrapping techniques. Our method integrates Laplacian-based signals into the learning process,…

Machine Learning · Computer Science 2025-06-26 Lorenzo Bini , Stephane Marchand-Maillet

We put forth a principled design of a neural architecture to learn nodal Adjacency Spectral Embeddings (ASE) from graph inputs. By bringing to bear the gradient descent (GD) method and leveraging the principle of algorithm unrolling, we…

Machine Learning · Computer Science 2025-08-29 Sofía Pérez Casulo , Marcelo Fiori , Federico Larroca , Gonzalo Mateos

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 propose Scalable Message Passing Neural Networks (SMPNNs) and demonstrate that, by integrating standard convolutional message passing into a Pre-Layer Normalization Transformer-style block instead of attention, we can produce…

Machine Learning · Computer Science 2026-03-11 Haitz Sáez de Ocáriz Borde , Artem Lukoianov , Anastasis Kratsios , Michael Bronstein , Xiaowen Dong

Spectral-based graph neural networks (SGNNs) have been attracting increasing attention in graph representation learning. However, existing SGNNs are limited in implementing graph filters with rigid transforms (e.g., graph Fourier or…

Machine Learning · Computer Science 2022-01-05 Mingxing Xu , Wenrui Dai , Chenglin Li , Junni Zou , Hongkai Xiong , Pascal Frossard

Geometric scattering has recently gained recognition in graph representation learning, and recent work has shown that integrating scattering features in graph convolution networks (GCNs) can alleviate the typical oversmoothing of features…

Machine Learning · Computer Science 2022-01-20 Yimeng Min , Frederik Wenkel , Guy Wolf

Graph neural networks (GNNs) have proven effective in capturing relationships among nodes in a graph. This study introduces a novel perspective by considering a graph as a simplicial complex, encompassing nodes, edges, triangles, and…

Machine Learning · Computer Science 2024-04-23 Jinghan Huang , Qiufeng Chen , Yijun Bian , Pengli Zhu , Nanguang Chen , Moo K. Chung , Anqi Qiu

Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to…

Machine Learning · Computer Science 2022-06-24 Haorui Wang , Haoteng Yin , Muhan Zhang , Pan Li

Graph neural networks have been useful in machine learning on graph-structured data, particularly for node classification and some types of graph classification tasks. However, they have had limited use in representing patterning of signals…

Machine Learning · Computer Science 2025-06-23 Siddharth Viswanath , Rahul Singh , Yanlei Zhang , J. Adam Noah , Joy Hirsch , Smita Krishnaswamy

In this paper, we design Graph Neural Networks (GNNs) with attention mechanisms to tackle an important yet challenging nonlinear regression problem: massive network localization. We first review our previous network localization method…

Machine Learning · Computer Science 2025-04-08 Wenzhong Yan , Feng Yin , Juntao Wang , Geert Leus , Abdelhak M. Zoubir , Yang Tian

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

The success of motion prediction for autonomous driving relies on integration of information from the HD maps. As maps are naturally graph-structured, investigation on graph neural networks (GNNs) for encoding HD maps is burgeoning in…

Artificial Intelligence · Computer Science 2022-09-07 Fang Da , Yu Zhang
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