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Graph Transformers have recently attracted attention for molecular property prediction by combining the inductive biases of graph neural networks (GNNs) with the global receptive field of Transformers. However, many existing hybrid…

Machine Learning · Computer Science 2026-04-09 Yi Yang , Ovidiu Daescu

Graph Transformer (GT), as a special type of Graph Neural Networks (GNNs), utilizes multi-head attention to facilitate high-order message passing. However, this also imposes several limitations in node classification applications: 1) nodes…

Machine Learning · Computer Science 2024-10-16 Jiajun Zhou , Xuanze Chen , Chenxuan Xie , Yu Shanqing , Qi Xuan , Xiaoniu Yang

Graph Neural Networks (GNNs) have emerged as promising solutions for collaborative filtering (CF) through the modeling of user-item interaction graphs. The nucleus of existing GNN-based recommender systems involves recursive message passing…

Machine Learning · Computer Science 2024-05-21 Peiyan Zhang , Yuchen Yan , Xi Zhang , Chaozhuo Li , Senzhang Wang , Feiran Huang , Sunghun Kim

Learning transferable representation of knowledge graphs (KGs) is challenging due to the heterogeneous, multi-relational nature of graph structures. Inspired by Transformer-based pretrained language models' success on learning transferable…

Computation and Language · Computer Science 2023-03-29 Sanxing Chen , Hao Cheng , Xiaodong Liu , Jian Jiao , Yangfeng Ji , Jianfeng Gao

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

Large scale self-supervised pre-training of Transformer language models has advanced the field of Natural Language Processing and shown promise in cross-application to the biological `languages' of proteins and DNA. Learning effective…

Machine Learning · Computer Science 2021-12-15 Meredith V. Trotter , Cuong Q. Nguyen , Stephen Young , Rob T. Woodruff , Kim M. Branson

Peptides are essential in biological processes and therapeutics. In this study, we introduce Multi-Peptide, an innovative approach that combines transformer-based language models with Graph Neural Networks (GNNs) to predict peptide…

Quantitative Methods · Quantitative Biology 2024-07-08 Srivathsan Badrinarayanan , Chakradhar Guntuboina , Parisa Mollaei , Amir Barati Farimani

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize…

Machine Learning · Computer Science 2025-06-04 Xiaohui Chen , Yinkai Wang , Jiaxing He , Yuanqi Du , Soha Hassoun , Xiaolin Xu , Li-Ping Liu

Embedding algorithms are increasingly used to represent clinical concepts in healthcare for improving machine learning tasks such as clinical phenotyping and disease prediction. Recent studies have adapted state-of-the-art bidirectional…

Machine Learning · Computer Science 2021-12-07 Chao Pang , Xinzhuo Jiang , Krishna S Kalluri , Matthew Spotnitz , RuiJun Chen , Adler Perotte , Karthik Natarajan

Clinical risk prediction using electronic health records (EHRs) is vital to facilitate timely interventions and clinical decision support. However, modeling heterogeneous and irregular temporal EHR data presents significant challenges. We…

Machine Learning · Computer Science 2025-11-04 Kun-Wei Lin , Yu-Chen Kuo , Hsin-Yao Wang , Yi-Ju Tseng

Deep learning models have demonstrated remarkable results for various computer vision tasks, including the realm of medical imaging. However, their application in the medical domain is limited due to the requirement for large amounts of…

Computer Vision and Pattern Recognition · Computer Science 2023-11-14 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

Recent studies have highlighted the limitations of message-passing based graph neural networks (GNNs), e.g., limited model expressiveness, over-smoothing, over-squashing, etc. To alleviate these issues, Graph Transformers (GTs) have been…

Machine Learning · Computer Science 2023-03-06 Qiheng Mao , Zemin Liu , Chenghao Liu , Jianling Sun

Graph neural networks (GNNs) have been widely applied in the recommendation tasks and have obtained very appealing performance. However, most GNN-based recommendation methods suffer from the problem of data sparsity in practice. Meanwhile,…

Information Retrieval · Computer Science 2021-12-15 Yiqi Wang , Chaozhuo Li , Zheng Liu , Mingzheng Li , Jiliang Tang , Xing Xie , Lei Chen , Philip S. Yu

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the…

Machine Learning · Computer Science 2023-12-19 Vijay Prakash Dwivedi , Yozen Liu , Anh Tuan Luu , Xavier Bresson , Neil Shah , Tong Zhao

Neural network models have achieved state-of-the-art performance on grapheme-to-phoneme (G2P) conversion. However, their performance relies on large-scale pronunciation dictionaries, which may not be available for a lot of languages.…

Computation and Language · Computer Science 2022-01-27 Lu Dong , Zhi-Qiang Guo , Chao-Hong Tan , Ya-Jun Hu , Yuan Jiang , Zhen-Hua Ling

Recently, graph neural networks (GNNs) have been shown powerful capacity at modeling structural data. However, when adapted to downstream tasks, it usually requires abundant task-specific labeled data, which can be extremely scarce in…

Machine Learning · Computer Science 2022-03-04 Yupeng Hou , Binbin Hu , Wayne Xin Zhao , Zhiqiang Zhang , Jun Zhou , Ji-Rong Wen

Previous researches of sketches often considered sketches in pixel format and leveraged CNN based models in the sketch understanding. Fundamentally, a sketch is stored as a sequence of data points, a vector format representation, rather…

Computer Vision and Pattern Recognition · Computer Science 2020-05-20 Hangyu Lin , Yanwei Fu , Yu-Gang Jiang , Xiangyang Xue

As a variant of Graph Neural Networks (GNNs), Unfolded GNNs offer enhanced interpretability and flexibility over traditional designs. Nevertheless, they still suffer from scalability challenges when it comes to the training cost. Although…

Machine Learning · Computer Science 2024-03-28 Yongyi Yang , Jiaming Yang , Wei Hu , Michał Dereziński

Pre-training on graph neural networks (GNNs) aims to learn transferable knowledge for downstream tasks with unlabeled data, and it has recently become an active research area. The success of graph pre-training models is often attributed to…

Machine Learning · Computer Science 2023-11-22 Jiarong Xu , Renhong Huang , Xin Jiang , Yuxuan Cao , Carl Yang , Chunping Wang , Yang Yang

Graph Neural Networks (GNN) can capture the geometric properties of neural representations in EEG data. Here we utilise those to study how reinforcement-based motor learning affects neural activity patterns during motor planning, leveraging…

Machine Learning · Computer Science 2024-11-01 Federico Nardi , Jinpei Han , Shlomi Haar , A. Aldo Faisal