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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…

计算工程、金融与科学 · 计算机科学 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…

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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

信息检索 · 计算机科学 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.…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

生物大分子 · 定量生物学 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,…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 2024-01-17 Hao Tang , Ling Shao , Nicu Sebe , Luc Van Gool