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This paper studies semi-supervised graph classification, a crucial task with a wide range of applications in social network analysis and bioinformatics. Recent works typically adopt graph neural networks to learn graph-level representations…

机器学习 · 计算机科学 2023-04-25 Wei Ju , Xiao Luo , Meng Qu , Yifan Wang , Chong Chen , Minghua Deng , Xian-Sheng Hua , Ming Zhang

Topological deep learning (TDL) is a rapidly growing field that seeks to leverage topological structure in data and facilitate learning from data supported on topological objects, ranging from molecules to 3D shapes. Most TDL architectures…

机器学习 · 计算机科学 2025-02-13 Yam Eitan , Yoav Gelberg , Guy Bar-Shalom , Fabrizio Frasca , Michael Bronstein , Haggai Maron

The recent success of State-Space Models (SSMs) in sequence modeling has motivated their adaptation to graph learning, giving rise to Graph State-Space Models (GSSMs). However, existing GSSMs operate by applying SSM modules to sequences…

Graph Neural Networks (GNNs) are powerful and flexible neural networks that use the naturally sparse connectivity information of the data. GNNs represent this connectivity as sparse matrices, which have lower arithmetic intensity and thus…

机器学习 · 计算机科学 2020-09-04 Alok Tripathy , Katherine Yelick , Aydin Buluc

Heterogeneous Graph Neural Networks (HGNNs) are widely used for deep learning on heterogeneous graphs. Typical end-to-end HGNNs require repetitive message passing during training, limiting efficiency for large-scale real-world graphs.…

机器学习 · 计算机科学 2025-11-17 Jun Hu , Shangheng Chen , Yufei He , Yuan Li , Bryan Hooi , Bingsheng He

While epidemiological modeling is pivotal for informing public health strategies, a fundamental trade-off limits its predictive fidelity: exact stochastic simulations are often computationally intractable for large-scale systems, whereas…

统计力学 · 物理学 2026-02-09 Cheng Ye , Zi-Song Shen , Pan Zhang

Graph neural networks (GNNs) and heterogeneous graph neural networks (HGNNs) are prominent techniques for homogeneous and heterogeneous graph representation learning, yet their performance in an end-to-end supervised framework greatly…

机器学习 · 计算机科学 2024-08-27 Xingtong Yu , Yuan Fang , Zemin Liu , Xinming Zhang

In this paper, we present a hypergraph neural networks (HGNN) framework for data representation learning, which can encode high-order data correlation in a hypergraph structure. Confronting the challenges of learning representation for…

机器学习 · 计算机科学 2019-02-26 Yifan Feng , Haoxuan You , Zizhao Zhang , Rongrong Ji , Yue Gao

Message passing neural networks have shown a lot of success on graph-structured data. However, there are many instances where message passing can lead to over-smoothing or fail when neighboring nodes belong to different classes. In this…

Graph neural networks have been extensively studied for learning with inter-connected data. Despite this, recent evidence has revealed GNNs' deficiencies related to over-squashing, heterophily, handling long-range dependencies, edge…

机器学习 · 计算机科学 2023-06-16 Qitian Wu , Wentao Zhao , Zenan Li , David Wipf , Junchi Yan

Self-supervised learning has shown its promising capability in graph representation learning in recent work. Most existing pre-training strategies usually choose the popular Graph neural networks (GNNs), which can be seen as a special form…

机器学习 · 计算机科学 2023-06-16 Yilin Ding , Zhen Liu , Hao Hao

Hypergraph Neural Networks (HyGNNs) have demonstrated remarkable success in modeling higher-order relationships among entities. However, their performance often degrades on heterophilic hypergraphs, where nodes connected by the same…

机器学习 · 计算机科学 2026-02-17 Tianyi Ma , Yiyue Qian , Zehong Wang , Zheyuan Zhang , Chuxu Zhang , Yanfang Ye

Transition Matching (TM) is an emerging paradigm for generative modeling that generalizes diffusion and flow-matching models as well as continuous-state autoregressive models. TM, similar to previous paradigms, gradually transforms noise…

机器学习 · 计算机科学 2025-12-16 Uriel Singer , Yaron Lipman

This paper presents a new Graph Neural Network (GNN) type using feature-wise linear modulation (FiLM). Many standard GNN variants propagate information along the edges of a graph by computing "messages" based only on the representation of…

机器学习 · 计算机科学 2020-06-29 Marc Brockschmidt

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…

人工智能 · 计算机科学 2024-06-21 Yu Song , Haitao Mao , Jiachen Xiao , Jingzhe Liu , Zhikai Chen , Wei Jin , Carl Yang , Jiliang Tang , Hui Liu

Graph Neural Networks (GNNs) have shown success in many real-world applications that involve graph-structured data. Most of the existing single-node GNN training systems are capable of training medium-scale graphs with tens of millions of…

分布式、并行与集群计算 · 计算机科学 2023-03-02 Yi-Chien Lin , Viktor Prasanna

As one of the most fundamental tasks in graph theory, subgraph matching is a crucial task in many fields, ranging from information retrieval, computer vision, biology, chemistry and natural language processing. Yet subgraph matching problem…

机器学习 · 计算机科学 2022-09-19 Zixun Lan , Limin Yu , Linglong Yuan , Zili Wu , Qiang Niu , Fei Ma

In network representation learning we learn how to represent heterogeneous information networks in a low-dimensional space so as to facilitate effective search, classification, and prediction solutions. Previous network representation…

人工智能 · 计算机科学 2021-05-19 Yang Fang , Xiang Zhao , Yifan Chen , Weidong Xiao , Maarten de Rijke

Despite the prevalence of hypergraphs in a variety of high-impact applications, there are relatively few works on hypergraph representation learning, most of which primarily focus on hyperlink prediction, often restricted to the…

机器学习 · 计算机科学 2021-05-25 Boxin Du , Changhe Yuan , Robert Barton , Tal Neiman , Hanghang Tong

Transfer learning aims to leverage knowledge from pre-trained models to benefit the target task. Prior transfer learning work mainly transfers from a single model. However, with the emergence of deep models pre-trained from different…

机器学习 · 计算机科学 2022-11-07 Yang Shu , Zhangjie Cao , Ziyang Zhang , Jianmin Wang , Mingsheng Long