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Searching for a path between two nodes in a graph is one of the most well-studied and fundamental problems in computer science. In numerous domains such as robotics, AI, or biology, practitioners develop search heuristics to accelerate…

Machine Learning · Computer Science 2023-01-12 Michal Pándy , Weikang Qiu , Gabriele Corso , Petar Veličković , Rex Ying , Jure Leskovec , Pietro Liò

Graphs provide a natural way to represent data by encoding information about objects and the relationships between them. With the ever-increasing amount of data collected and generated, locating specific patterns of relationships between…

Data Structures and Algorithms · Computer Science 2026-04-28 Tatyana Benko , Rebecca Jones , Lucas Tate

Heterogeneous molecular entities and their interactions, commonly depicted as a network, are crucial for advancing our systems-level understanding of biology. With recent advancements in high-throughput data generation and a significant…

Quantitative Methods · Quantitative Biology 2026-03-18 Kishan KC , Rui Li , Paribesh Regmi , Anne R. Haake

Hypergraphs are generalisation of graphs in which a hyperedge can connect any number of vertices. It can describe n-ary relationships and high-order information among entities compared to conventional graphs. In this paper, we study the…

Databases · Computer Science 2023-02-21 Zhengyi Yang , Wenjie Zhang , Xuemin Lin , Ying Zhang , Shunyang Li

Graph neural network (GNN) has gained increasing popularity in recent years owing to its capability and flexibility in modeling complex graph structure data. Among all graph learning methods, hypergraph learning is a technique for exploring…

Machine Learning · Computer Science 2024-12-31 Tiehua Zhang , Yuze Liu , Zhishu Shen , Xingjun Ma , Peng Qi , Zhijun Ding , Jiong Jin

Classifying nodes in a graph is a common problem. The ideal classifier must adapt to any imbalances in the class distribution. It must also use information in the clustering structure of real-world graphs. Existing Graph Neural Networks…

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 neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order…

Chemical Physics · Physics 2023-12-22 Junwu Chen , Philippe Schwaller

Computing latent representations for graph-structured data is an ubiquitous learning task in many industrial and academic applications ranging from molecule synthetization to social network analysis and recommender systems. Knowledge graphs…

Neural and Evolutionary Computing · Computer Science 2023-08-25 Victor Caceres Chian , Marcel Hildebrandt , Thomas Runkler , Dominik Dold

Document structure analysis, such as zone segmentation and table recognition, is a complex problem in document processing and is an active area of research. The recent success of deep learning in solving various computer vision and machine…

Computer Vision and Pattern Recognition · Computer Science 2019-07-04 Shah Rukh Qasim , Hassan Mahmood , Faisal Shafait

Graph-based semi-supervised learning, which can exploit the connectivity relationship between labeled and unlabeled data, has been shown to outperform the state-of-the-art in many artificial intelligence applications. One of the most…

Machine Learning · Computer Science 2022-01-28 Jianpeng Liao , Qian Tao , Jun Yan

Graph neural networks (GNNs) have extended the success of deep neural networks (DNNs) to non-Euclidean graph data, achieving ground-breaking performance on various tasks such as node classification and graph property prediction.…

Machine Learning · Computer Science 2021-12-17 Tianfeng Liu , Yangrui Chen , Dan Li , Chuan Wu , Yibo Zhu , Jun He , Yanghua Peng , Hongzheng Chen , Hongzhi Chen , Chuanxiong Guo

Heterogeneous Graph Neural Networks (HGNNs) have expanded graph representation learning to heterogeneous graph fields. Recent studies have demonstrated their superior performance across various applications, including medical analysis and…

Hardware Architecture · Computer Science 2024-08-28 Runzhen Xue , Mingyu Yan , Dengke Han , Zhimin Tang , Xiaochun Ye , Dongrui Fan

Graph representation of structured data can facilitate the extraction of stereoscopic features, and it has demonstrated excellent ability when working with deep learning systems, the so-called Graph Neural Networks (GNNs). Choosing a…

Machine Learning · Computer Science 2021-01-27 Yingfang Yuan , Wenjun Wang , George M. Coghill , Wei Pang

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various…

Social and Information Networks · Computer Science 2021-12-15 Wentao Xu , Yingce Xia , Weiqing Liu , Jiang Bian , Jian Yin , Tie-Yan Liu

Visual recognition relies on understanding the semantics of image tokens and their complex interactions. Mainstream self-attention methods, while effective at modeling global pair-wise relations, fail to capture high-order associations…

Computer Vision and Pattern Recognition · Computer Science 2026-04-09 Mengqi Lei , Yihong Wu , Siqi Li , Xinhu Zheng , Juan Wang , Shaoyi Du , Yue Gao

We present a deep neural network to predict structural similarity between 2D layouts by leveraging Graph Matching Networks (GMN). Our network, coined LayoutGMN, learns the layout metric via neural graph matching, using an attention-based…

Computer Vision and Pattern Recognition · Computer Science 2021-04-07 Akshay Gadi Patil , Manyi Li , Matthew Fisher , Manolis Savva , Hao Zhang

Recent years have witnessed the popularity of Graph Neural Networks (GNN) in various scenarios. To obtain optimal data-specific GNN architectures, researchers turn to neural architecture search (NAS) methods, which have made impressive…

Machine Learning · Computer Science 2020-09-08 Huan Zhao , Lanning Wei , Quanming Yao

Mapping the connectome of the human brain using structural or functional connectivity has become one of the most pervasive paradigms for neuroimaging analysis. Recently, Graph Neural Networks (GNNs) motivated from geometric deep learning…

Neurons and Cognition · Quantitative Biology 2022-11-30 Hejie Cui , Wei Dai , Yanqiao Zhu , Xuan Kan , Antonio Aodong Chen Gu , Joshua Lukemire , Liang Zhan , Lifang He , Ying Guo , Carl Yang

Molecular interactions often involve high-order relationships that cannot be fully captured by traditional graph-based models limited to pairwise connections. Hypergraphs naturally extend graphs by enabling multi-way interactions, making…

Machine Learning · Computer Science 2025-05-12 Tien Dang , Truong-Son Hy
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