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Heterogeneous graph learning aims to capture complex relationships and diverse relational semantics among entities in a heterogeneous graph to obtain meaningful representations for nodes and edges. Recent advancements in heterogeneous graph…

Computation and Language · Computer Science 2024-05-21 Jiabin Tang , Yuhao Yang , Wei Wei , Lei Shi , Long Xia , Dawei Yin , Chao Huang

Graphs serve as fundamental descriptors for systems composed of interacting elements, capturing a wide array of data types, from molecular interactions to social networks and knowledge graphs. In this paper, we present an exhaustive review…

Machine Learning · Computer Science 2024-11-13 Chenqing Hua

Multi-modal graphs, which integrate diverse multi-modal features and relations, are ubiquitous in real-world applications. However, existing multi-modal graph learning methods are typically trained from scratch for specific graph data and…

Machine Learning · Computer Science 2025-11-26 Xin Wang , Zeyang Zhang , Linxin Xiao , Haibo Chen , Chendi Ge , Wenwu Zhu

The identification of bitter peptides is crucial in various domains, including food science, drug discovery, and biochemical research. These peptides not only contribute to the undesirable taste of hydrolyzed proteins but also play key…

Quantitative Methods · Quantitative Biology 2025-10-30 Sarfraz Ahmad , Momina Ahsan , Muhammad Nabeel Asim , Andreas Dengel , Muhammad Imran Malik

Graph neural networks (GNNs) provide powerful insights for brain neuroimaging technology from the view of graphical networks. However, most existing GNN-based models assume that the neuroimaging-produced brain connectome network is a…

Machine Learning · Computer Science 2022-09-30 Gen Shi , Yifan Zhu , Wenjin Liu , Quanming Yao , Xuesong Li

Multimodal Large Language Models (MLLMs) have demonstrated remarkable capabilities in representing and understanding diverse modalities. However, they typically focus on modality alignment in a pairwise manner while overlooking structural…

Machine Learning · Computer Science 2025-06-13 Jiajin Liu , Dongzhe Fan , Jiacheng Shen , Chuanhao Ji , Daochen Zha , Qiaoyu Tan

Designing accurate deep learning models for molecular property prediction plays an increasingly essential role in drug and material discovery. Recently, due to the scarcity of labeled molecules, self-supervised learning methods for learning…

Biomolecules · Quantitative Biology 2022-06-08 Han Li , Dan Zhao , Jianyang Zeng

Semantic networks, such as the knowledge graph, can represent the knowledge leveraging the graph structure. Although the knowledge graph shows promising values in natural language processing, it suffers from incompleteness. This paper…

Computation and Language · Computer Science 2022-04-29 Da Li , Sen Yang , Kele Xu , Ming Yi , Yukai He , Huaimin Wang

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

Machine Learning · Computer Science 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

The crux of molecular property prediction is to generate meaningful representations of the molecules. One promising route is to exploit the molecular graph structure through Graph Neural Networks (GNNs). It is well known that both atoms and…

Quantitative Methods · Quantitative Biology 2020-06-15 Hehuan Ma , Yatao Bian , Yu Rong , Wenbing Huang , Tingyang Xu , Weiyang Xie , Geyan Ye , Junzhou Huang

Pretraining plays a pivotal role in acquiring generalized knowledge from large-scale data, achieving remarkable successes as evidenced by large models in CV and NLP. However, progress in the graph domain remains limited due to fundamental…

Artificial Intelligence · Computer Science 2024-06-21 Yu Song , Haitao Mao , Jiachen Xiao , Jingzhe Liu , Zhikai Chen , Wei Jin , Carl Yang , Jiliang Tang , Hui Liu

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

In the field of multimodal medical data analysis, leveraging diverse types of data and understanding their hidden relationships continues to be a research focus. The main challenges lie in effectively modeling the complex interactions…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Xuhao Shan , Ruiquan Ge , Jikui Liu , Linglong Wu , Chi Zhang , Siqi Liu , Wenjian Qin , Wenwen Min , Ahmed Elazab , Changmiao Wang

Multi-scale biomedical knowledge networks are expanding with emerging experimental technologies that generates multi-scale biomedical big data. Link prediction is increasingly used especially in bipartite biomedical networks to identify…

Social and Information Networks · Computer Science 2022-02-25 Jinjiang Guo , Jie Li , Dawei Leng , Lurong Pan

Hypergraphs are characterized by complex topological structure, representing higher-order interactions among multiple entities through hyperedges. Lately, hypergraph-based deep learning methods to learn informative data representations for…

Machine Learning · Computer Science 2024-09-30 Adrián Bazaga , Pietro Liò , Gos Micklem

We present a family of neural-network--inspired models for computing continuous word representations, specifically designed to exploit both monolingual and multilingual text. This framework allows us to perform unsupervised training of…

Computation and Language · Computer Science 2016-12-15 Radu Soricut , Nan Ding

The recent success of graph neural networks has significantly boosted molecular property prediction, advancing activities such as drug discovery. The existing deep neural network methods usually require large training dataset for each…

Machine Learning · Computer Science 2021-02-17 Zhichun Guo , Chuxu Zhang , Wenhao Yu , John Herr , Olaf Wiest , Meng Jiang , Nitesh V. Chawla

Molecular representation learning is vital for various downstream applications, including the analysis and prediction of molecular properties and side effects. While Graph Neural Networks (GNNs) have been a popular framework for modeling…

Machine Learning · Computer Science 2025-02-18 Pengcheng Jiang , Cao Xiao , Tianfan Fu , Parminder Bhatia , Taha Kass-Hout , Jimeng Sun , Jiawei Han

Graph neural networks (GNNs) have emerged as powerful models for learning representations of graph data showing state of the art results in various tasks. Nevertheless, the superiority of these methods is usually supported by either…

Machine Learning · Computer Science 2024-11-22 Tianqi Zhao , Megha Khosla

The application of deep learning to symbolic domains remains an active research endeavour. Graph neural networks (GNN), consisting of trained neural modules which can be arranged in different topologies at run time, are sound alternatives…

Social and Information Networks · Computer Science 2019-12-02 Pedro H. C. Avelar , Henrique Lemos , Marcelo O. R. Prates , Luis Lamb