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Robustness in complex systems is of significant engineering and economic importance. However, conventional attack-based a posteriori robustness assessments incur prohibitive computational overhead. Recently, deep learning methods, such as…

Machine Learning · Computer Science 2025-12-29 Chengyu Tian , Wenbin Pei

Graph Neural Networks (GNNs) have emerged as a powerful technique for learning on relational data. Owing to the relatively limited number of message passing steps they perform -- and hence a smaller receptive field -- there has been…

Machine Learning · Computer Science 2022-06-27 Ameya Velingker , Ali Kemal Sinop , Ira Ktena , Petar Veličković , Sreenivas Gollapudi

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

Machine Learning · Computer Science 2022-03-15 Wenbing Huang , Jiaqi Han , Yu Rong , Tingyang Xu , Fuchun Sun , Junzhou Huang

Graph Neural Networks (GNNs) have achieved great success but are often considered to be challenged by varying levels of homophily in graphs. Recent \textit{empirical} studies have surprisingly shown that homophilic GNNs can perform well…

Machine Learning · Computer Science 2025-10-27 Ming Gu , Zhuonan Zheng , Sheng Zhou , Meihan Liu , Jiawei Chen , Tanyu Qiao , Liangcheng Li , Jiajun Bu

Graph neural networks (GNNs) have achieved tremendous success in graph mining. However, the inability of GNNs to model substructures in graphs remains a significant drawback. Specifically, message-passing GNNs (MPGNNs), as the prevailing…

Machine Learning · Computer Science 2021-04-08 Qingqing Long , Yilun Jin , Yi Wu , Guojie Song

Heterogeneous graph neural networks (HGNNs) have emerged as powerful algorithms for processing heterogeneous graphs (HetGs), widely used in many critical fields. To capture both structural and semantic information in HetGs, HGNNs first…

Hardware Architecture · Computer Science 2024-04-29 Runzhen Xue , Dengke Han , Mingyu Yan , Mo Zou , Xiaocheng Yang , Duo Wang , Wenming Li , Zhimin Tang , John Kim , Xiaochun Ye , Dongrui Fan

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

Heterogeneous graph neural networks (HGNNs) have demonstrated strong capability in modeling complex semantics across multi-type nodes and relations. However, their scalability to large-scale graphs remains challenging due to structural…

Machine Learning · Computer Science 2025-12-12 Fuyan Ou , Siqi Ai , Yulin Hu

Heterogeneous graph neural networks (HGNNs) have been blossoming in recent years, but the unique data processing and evaluation setups used by each work obstruct a full understanding of their advancements. In this work, we present a…

Machine Learning · Computer Science 2022-01-03 Qingsong Lv , Ming Ding , Qiang Liu , Yuxiang Chen , Wenzheng Feng , Siming He , Chang Zhou , Jianguo Jiang , Yuxiao Dong , Jie Tang

Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, on large-scale real-world graphs, GNNs face two major…

Machine Learning · Computer Science 2026-03-10 Xiang Li , Jianpeng Qi , Haobing Liu , Yuan Cao , Guoqing Chao , Zhongying Zhao , Junyu Dong , Xinwang Liu , Yanwei Yu

Subgraph-based graph representation learning (SGRL) has been recently proposed to deal with some fundamental challenges encountered by canonical graph neural networks (GNNs), and has demonstrated advantages in many important data science…

Machine Learning · Computer Science 2022-08-04 Haoteng Yin , Muhan Zhang , Yanbang Wang , Jianguo Wang , Pan Li

Subgraph pattern detection aims to uncover complex interaction structures in graphs. However, state-of-the-art graph neural network (GNN)-based solutions assume centralized access to the entire graph. When graphs are instead distributed…

Machine Learning · Computer Science 2026-05-08 Selin Ceydeli , Rui Wang , Kubilay Atasu

The classic problem of exact subgraph matching returns those subgraphs in a large-scale data graph that are isomorphic to a given query graph, which has gained increasing importance in many real-world applications. In this paper, we propose…

Databases · Computer Science 2025-12-12 Yutong Ye , Xiang Lian , Mingsong Chen

Graph Neural Networks (GNNs) have superior capability in learning graph data. Full-graph GNN training generally has high accuracy, however, it suffers from large peak memory usage and encounters the Out-of-Memory problem when handling large…

Machine Learning · Computer Science 2024-06-10 Xizhi Gu , Hongzheng Li , Shihong Gao , Xinyan Zhang , Lei Chen , Yingxia Shao

Large language models (LLMs) have demonstrated impressive capabilities in natural language understanding and generation, including multi-step reasoning such as mathematical proving. However, existing approaches often lack an explicit and…

Computation and Language · Computer Science 2026-05-19 Yutong Li , Yitian Zhou , Xudong Wang , GuoChen , Caiyan Qin

Graph distillation (GD) is an effective approach to extract useful information from large-scale network structures. However, existing methods, which operate in Euclidean space to generate condensed graphs, struggle to capture the inherent…

Machine Learning · Computer Science 2025-01-28 Yunbo Long , Liming Xu , Stefan Schoepf , Alexandra Brintrup

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to…

Machine Learning · Computer Science 2019-11-11 Ruochi Zhang , Yuesong Zou , Jian Ma

Graph Neural Networks (GNNs) have emerged as a promising approach for ``learning to branch'' in Mixed-Integer Linear Programming (MILP). While standard Message-Passing GNNs (MPNNs) are efficient, they theoretically lack the expressive power…

Machine Learning · Computer Science 2025-12-11 Junru Zhou , Yicheng Wang , Pan Li

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the…

Machine Learning · Computer Science 2025-12-12 Lin Du , Lu Bai , Jincheng Li , Lixin Cui , Hangyuan Du , Lichi Zhang , Yuting Chen , Zhao Li

Graph Neural Networks (GNNs) bring the power of deep representation learning to graph and relational data and achieve state-of-the-art performance in many applications. GNNs compute node representations by taking into account the topology…

Machine Learning · Computer Science 2021-09-10 Maria Kalantzi , George Karypis