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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

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

We present a novel Recurrent Graph Network (RGN) approach for predicting discrete marked event sequences by learning the underlying complex stochastic process. Using the framework of Point Processes, we interpret a marked discrete event…

Machine Learning · Computer Science 2022-08-12 Saurabh Dash , Xueyuan She , Saibal Mukhopadhyay

We establish connections between the Transformer architecture, originally introduced for natural language processing, and Graph Neural Networks (GNNs) for representation learning on graphs. We show how Transformers can be viewed as message…

Machine Learning · Computer Science 2025-06-30 Chaitanya K. Joshi

Real-world graphs or networks are usually heterogeneous, involving multiple types of nodes and relationships. Heterogeneous graph neural networks (HGNNs) can effectively handle these diverse nodes and edges, capturing heterogeneous…

Neural and Evolutionary Computing · Computer Science 2026-01-07 Buqing Cao , Qian Peng , Xiang Xie , Liang Chen , Min Shi , Jianxun Liu

Machine learning models that can exploit the inherent structure in data have gained prominence. In particular, there is a surge in deep learning solutions for graph-structured data, due to its wide-spread applicability in several fields.…

Machine Learning · Computer Science 2020-02-12 Uday Shankar Shanthamallu , Jayaraman J. Thiagarajan , Andreas Spanias

Accurate and timely traffic flow forecasting is crucial for intelligent transportation systems. This paper presents a novel deep learning model, the Spatial-Temporal Unified Graph Attention Network (STGAtt). By leveraging a unified graph…

Machine Learning · Computer Science 2025-08-26 Zhuding Liang , Jianxun Cui , Qingshuang Zeng , Feng Liu , Nenad Filipovic , Tijana Geroski

Graph-structured data arise naturally in many different application domains. By representing data as graphs, we can capture entities (i.e., nodes) as well as their relationships (i.e., edges) with each other. Many useful insights can be…

Artificial Intelligence · Computer Science 2018-07-24 John Boaz Lee , Ryan A. Rossi , Sungchul Kim , Nesreen K. Ahmed , Eunyee Koh

Graph Neural Networks (GNNs) have shown remarkable success in graph representation learning. Unfortunately, current weight assignment schemes in standard GNNs, such as the calculation based on node degrees or pair-wise representations, can…

Machine Learning · Computer Science 2024-07-02 Junfu Wang , Yuanfang Guo , Liang Yang , Yunhong Wang

Online continual learning for image classification is crucial for models to adapt to new data while retaining knowledge of previously learned tasks. This capability is essential to address real-world challenges involving dynamic…

Computer Vision and Pattern Recognition · Computer Science 2025-02-14 Adjovi Sim , Zhengkui Wang , Aik Beng Ng , Shalini De Mello , Simon See , Wonmin Byeon

Graph Neural Networks (GNNs) are powerful to learn the representation of graph-structured data. Most of the GNNs use the message-passing scheme, where the embedding of a node is iteratively updated by aggregating the information of its…

Machine Learning · Computer Science 2020-07-28 Shuo Zhang , Lei Xie

Transformers have achieved remarkable performance in a myriad of fields including natural language processing and computer vision. However, when it comes to the graph mining area, where graph neural network (GNN) has been the dominant…

Machine Learning · Computer Science 2021-10-26 Jianan Zhao , Chaozhuo Li , Qianlong Wen , Yiqi Wang , Yuming Liu , Hao Sun , Xing Xie , Yanfang Ye

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

Graph is a fundamental data structure to model interconnections between entities. Set, on the contrary, stores independent elements. To learn graph representations, current Graph Neural Networks (GNNs) primarily use message passing to…

Machine Learning · Computer Science 2024-06-03 Xiyuan Wang , Pan Li , Muhan Zhang

We present a novel graph Transformer generative adversarial network (GTGAN) to learn effective graph node relations in an end-to-end fashion for challenging graph-constrained architectural layout generation tasks. The proposed…

Computer Vision and Pattern Recognition · Computer Science 2024-01-17 Hao Tang , Ling Shao , Nicu Sebe , Luc Van Gool

We present MeshGraphNet-Transformer (MGN-T), a novel architecture that combines the global modeling capabilities of Transformers with the geometric inductive bias of MeshGraphNets, while preserving a mesh-based graph representation. MGN-T…

Machine Learning · Computer Science 2026-02-06 Mikel M. Iparraguirre , Iciar Alfaro , David Gonzalez , Elias Cueto

Transformers, adapted from natural language processing, are emerging as a leading approach for graph representation learning. Contemporary graph transformers often treat nodes or edges as separate tokens. This approach leads to…

Machine Learning · Computer Science 2023-10-04 Zihan Pengmei , Zimu Li , Chih-chan Tien , Risi Kondor , Aaron R. Dinner

Graph neural networks (GNNs) have drawn increasing attention in recent years and achieved remarkable performance in many graph-based tasks, especially in semi-supervised learning on graphs. However, most existing GNNs are based on the…

Machine Learning · Computer Science 2024-01-24 Li Zhou , Wenyu Chen , Dingyi Zeng , Shaohuan Cheng , Wanlong Liu , Malu Zhang , Hong Qu

This study utilizes community structures to address node degree biases in message-passing (MP) via learnable graph augmentations and novel graph transformers. Recent augmentation-based methods showed that MP neural networks often perform…

Machine Learning · Computer Science 2023-12-29 Van Thuy Hoang , O-Joun Lee

When applying the Transformer architecture to source code, designing a good self-attention mechanism is critical as it affects how node relationship is extracted from the Abstract Syntax Trees (ASTs) of the source code. We present Code…

Software Engineering · Computer Science 2024-04-10 Saeyoon Oh , Shin Yoo