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Graph neural networks (GNNs) are a powerful inductive bias for modelling algorithmic reasoning procedures and data structures. Their prowess was mainly demonstrated on tasks featuring Markovian dynamics, where querying any associated data…

机器学习 · 计算机科学 2021-04-28 Heiko Strathmann , Mohammadamin Barekatain , Charles Blundell , Petar Veličković

Elucidating and accurately predicting the druggability and bioactivities of molecules plays a pivotal role in drug design and discovery and remains an open challenge. Recently, graph neural networks (GNN) have made remarkable advancements…

机器学习 · 计算机科学 2022-08-31 Weimin Zhu , Yi Zhang , DuanCheng Zhao , Jianrong Xu , Ling Wang

Message passing neural networks (MPNNs) operate on graphs by exchanging information between neigbouring nodes. MPNNs have been successfully applied to various node-, edge-, and graph-level tasks in areas like molecular science, computer…

机器学习 · 计算机科学 2025-11-05 Lisi Qarkaxhija , Anatol E. Wegner , Ingo Scholtes

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the…

机器学习 · 计算机科学 2021-04-22 Chao Shang , Jie Chen , Jinbo Bi

Network embedding in heterogeneous information networks (HINs) is a challenging task, due to complications of different node types and rich relationships between nodes. As a result, conventional network embedding techniques cannot work on…

社会与信息网络 · 计算机科学 2018-03-08 Daokun Zhang , Jie Yin , Xingquan Zhu , Chengqi Zhang

Graph Neural Networks (GNNs) are the first choice methods for graph machine learning problems thanks to their ability to learn state-of-the-art level representations from graph-structured data. However, centralizing a massive amount of…

机器学习 · 计算机科学 2021-06-08 Chaoyang He , Emir Ceyani , Keshav Balasubramanian , Murali Annavaram , Salman Avestimehr

Heterogeneous Graph Neural Network (HGNN) has been successfully employed in various tasks, but we cannot accurately know the importance of different design dimensions of HGNNs due to diverse architectures and applied scenarios. Besides, in…

机器学习 · 计算机科学 2022-05-16 Tianyu Zhao , Cheng Yang , Yibo Li , Quan Gan , Zhenyi Wang , Fengqi Liang , Huan Zhao , Yingxia Shao , Xiao Wang , Chuan Shi

Multimodal brain networks characterize complex connectivities among different brain regions from both structural and functional aspects and provide a new means for mental disease analysis. Recently, Graph Neural Networks (GNNs) have become…

神经元与认知 · 定量生物学 2022-05-25 Yanqiao Zhu , Hejie Cui , Lifang He , Lichao Sun , Carl Yang

Graph representation learning has attracted much attention in supporting high quality candidate search at scale. Despite its effectiveness in learning embedding vectors for objects in the user-item interaction network, the computational…

信息检索 · 计算机科学 2020-03-05 Qiaoyu Tan , Ninghao Liu , Xing Zhao , Hongxia Yang , Jingren Zhou , Xia Hu

State-of-the-art parametric and non-parametric style transfer approaches are prone to either distorted local style patterns due to global statistics alignment, or unpleasing artifacts resulting from patch mismatching. In this paper, we…

计算机视觉与模式识别 · 计算机科学 2023-02-14 Yongcheng Jing , Yining Mao , Yiding Yang , Yibing Zhan , Mingli Song , Xinchao Wang , Dacheng Tao

City-scale logistics routing has become increasingly challenging as metropolitan road networks grow to tens of millions of edges and traffic conditions evolve rapidly under high-volume mobility demands. Conventional centralized routing…

系统与控制 · 电气工程与系统科学 2025-12-23 Zihan Han , Lingran Meng , Jingwei Zhang

Heterogeneous graphs, which contain nodes and edges of multiple types, are prevalent in various domains, including bibliographic networks, social media, and knowledge graphs. As a fundamental task in analyzing heterogeneous graphs,…

信息检索 · 计算机科学 2023-05-02 Linhao Luo , Yixiang Fang , Moli Lu , Xin Cao , Xiaofeng Zhang , Wenjie Zhang

In real-world applications, spectral Graph Neural Networks (GNNs) are powerful tools for processing diverse types of graphs. However, a single GNN often struggles to handle different graph types-such as homogeneous and heterogeneous…

机器学习 · 计算机科学 2024-12-19 Shibing Mo , Kai Wu , Qixuan Gao , Xiangyi Teng , Jing Liu

Graphs are pervasive in the real-world, such as social network analysis, bioinformatics, and knowledge graphs. Graph neural networks (GNNs) have great ability in node classification, a fundamental task on graphs. Unfortunately, conventional…

机器学习 · 计算机科学 2024-09-05 Quan Li , Tianxiang Zhao , Lingwei Chen , Junjie Xu , Suhang Wang

Graph neural networks (GNNs) are a type of deep learning models that are trained on graphs and have been successfully applied in various domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to…

机器学习 · 计算机科学 2023-08-28 Yingxia Shao , Hongzheng Li , Xizhi Gu , Hongbo Yin , Yawen Li , Xupeng Miao , Wentao Zhang , Bin Cui , Lei Chen

Most of the current hypergraph learning methodologies and benchmarking datasets in the hypergraph realm are obtained by lifting procedures from their graph analogs, leading to overshadowing specific characteristics of hypergraphs. This…

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

机器学习 · 计算机科学 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Multi-view multi-label feature selection aims to identify informative features from heterogeneous views, where each sample is associated with multiple interdependent labels. This problem is particularly important in machine learning…

人工智能 · 计算机科学 2025-11-20 Zhiqi Chen , Yuzhou Liu , Jiarui Liu , Wanfu Gao

Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…

机器学习 · 计算机科学 2026-01-21 Salvatore Romano , Marco Grassia , Giuseppe Mangioni

Graph neural networks (GNNs) emerged recently as a standard toolkit for learning from data on graphs. Current GNN designing works depend on immense human expertise to explore different message-passing mechanisms, and require manual…

机器学习 · 计算机科学 2021-06-25 Shaofei Cai , Liang Li , Jincan Deng , Beichen Zhang , Zheng-Jun Zha , Li Su , Qingming Huang