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Generating synthetic data for financial time series poses challenges, especially considering their non-stationary nature. Traditional statistical time series models normally assume weak stationarity. However, this assumption can constrain…

Computational Engineering, Finance, and Science · Computer Science 2026-05-22 Marco Gregnanin , Johannes De Smedt , Giorgio Gnecco , Maurizio Parton

Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on molecular graphs, GNNs offer an intuitive and expressive…

Biomolecules · Quantitative Biology 2025-06-10 Odin Zhang , Haitao Lin , Xujun Zhang , Xiaorui Wang , Zhenxing Wu , Qing Ye , Weibo Zhao , Jike Wang , Kejun Ying , Yu Kang , Chang-yu Hsieh , Tingjun Hou

Deep graph neural networks (GNNs) have been shown to be expressive for modeling graph-structured data. Nevertheless, the over-stacked architecture of deep graph models makes it difficult to deploy and rapidly test on mobile or embedded…

Machine Learning · Computer Science 2022-05-25 Huarui He , Jie Wang , Zhanqiu Zhang , Feng Wu

Graph Neural Network (GNN) research is rapidly advancing due to GNNs' capacity to learn distributed representations from graph-structured data. However, centralizing large volumes of real-world graph data for GNN training is often…

Machine Learning · Computer Science 2025-04-17 Kishan Gurumurthy , Himanshu Pal , Charu Sharma

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

Graph neural network (GNN), as a powerful representation learning model on graph data, attracts much attention across various disciplines. However, recent studies show that GNN is vulnerable to adversarial attacks. How to make GNN more…

Machine Learning · Computer Science 2019-05-14 Shen Wang , Zhengzhang Chen , Jingchao Ni , Xiao Yu , Zhichun Li , Haifeng Chen , Philip S. Yu

Graph Convolutional Networks (GCNs) have been widely demonstrated their powerful ability in graph data representation and learning. Existing graph convolution layers are mainly designed based on graph signal processing and transform aspect…

Computer Vision and Pattern Recognition · Computer Science 2022-04-27 Ziyan Zhang , Bo Jiang , Bin Luo

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Graph neural networks (GNNs) have significantly improved the representation power for graph-structured data. Despite of the recent success of GNNs, the graph convolution in most GNNs have two limitations. Since the graph convolution is…

Machine Learning · Computer Science 2021-12-30 Jinyoung Park , Sungdong Yoo , Jihwan Park , Hyunwoo J. Kim

Graph convolutional networks (GCNs) have recently enabled a popular class of algorithms for collaborative filtering (CF). Nevertheless, the theoretical underpinnings of their empirical successes remain elusive. In this paper, we endeavor to…

Information Retrieval · Computer Science 2021-08-18 Yifei Shen , Yongji Wu , Yao Zhang , Caihua Shan , Jun Zhang , Khaled B. Letaief , Dongsheng Li

Federated Learning (FL) has recently emerged as a promising distributed machine learning framework to preserve clients' privacy, by allowing multiple clients to upload the gradients calculated from their local data to a central server.…

Computer Vision and Pattern Recognition · Computer Science 2023-09-12 Hao Fang , Bin Chen , Xuan Wang , Zhi Wang , Shu-Tao Xia

Federated graph learning (FGL) enables multiple clients to collaboratively train powerful graph neural networks without sharing their private, decentralized graph data. Inherited from generic federated learning, FGL is critically challenged…

Machine Learning · Computer Science 2025-08-15 Xinrui Li , Qilin Fan , Tianfu Wang , Kaiwen Wei , Ke Yu , Xu Zhang

Federated learning (FL) is a distributed training paradigm that enables collaborative learning across clients without sharing local data, thereby preserving privacy. However, the increasing scale and complexity of modern deep models often…

Machine Learning · Computer Science 2025-05-20 Honggu Kang , Seohyeon Cha , Joonhyuk Kang

Graph Convolutional Networks (GCNs) are extensively utilized for deep learning on graphs. The large data sizes of graphs and their vertex features make scalable training algorithms and distributed memory systems necessary. Since the…

Machine Learning · Computer Science 2022-12-14 Gunduz Vehbi Demirci , Aparajita Haldar , Hakan Ferhatosmanoglu

Graph Neural Networks (GNNs) have achieved promising performance in semi-supervised node classification in recent years. However, the problem of insufficient supervision, together with representation collapse, largely limits the performance…

Machine Learning · Computer Science 2025-03-07 Xihong Yang , Yiqi Wang , Yue Liu , Yi Wen , Lingyuan Meng , Sihang Zhou , Xinwang Liu , En Zhu

Deep generative models, such as generative adversarial networks (GANs), have been employed for $de~novo$ molecular generation in drug discovery. Most prior studies have utilized reinforcement learning (RL) algorithms, particularly Monte…

Biomolecules · Quantitative Biology 2025-09-09 Huidong Tang , Chen Li , Sayaka Kamei , Yoshihiro Yamanishi , Yasuhiko Morimoto

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

Recently, Graph Convolutional Networks (GCNs) have been widely studied for graph-structured data representation and learning. However, in many real applications, data are coming with multiple graphs, and it is non-trivial to adapt GCNs to…

Computer Vision and Pattern Recognition · Computer Science 2019-01-23 Bo Jiang , Ziyan Zhang , Jin Tang , Bin Luo

Property prediction on molecular graphs is an important application of Graph Neural Networks. Recently, unlabeled molecular data has become abundant, which facilitates the rapid development of self-supervised learning for GNNs in the…

Machine Learning · Computer Science 2023-10-31 Kha-Dinh Luong , Ambuj Singh

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