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Recent advances in graph databases (GDBs) have been driving interest in large-scale analytics, yet current systems fail to support higher-order (HO) interactions beyond first-order (one-hop) relations, which are crucial for tasks such as…

Graphs are widely used to encapsulate a variety of data formats, but real-world networks often involve complex node relations beyond only being pairwise. While hypergraphs and hierarchical graphs have been developed and employed to account…

Machine Learning · Computer Science 2024-02-21 Zehui Li , Xiangyu Zhao , Mingzhu Shen , Guy-Bart Stan , Pietro Liò , Yiren Zhao

Real-world graphs exhibit increasing heterophily, where nodes no longer tend to be connected to nodes with the same label, challenging the homophily assumption of classical graph neural networks (GNNs) and impeding their performance.…

Machine Learning · Computer Science 2024-08-22 Jiajun Zhou , Chenxuan Xie , Shengbo Gong , Jiaxu Qian , Shanqing Yu , Qi Xuan , Xiaoniu Yang

Graph neural networks (GNNs) have recently emerged as a promising learning paradigm in learning graph-structured data and have demonstrated wide success across various domains such as recommendation systems, social networks, and electronic…

Machine Learning · Computer Science 2023-04-25 Ruixuan Wang , Fred Lin , Daniel Moore , Sriram Sankar , Xun Jiao

We present PyTorch Frame, a PyTorch-based framework for deep learning over multi-modal tabular data. PyTorch Frame makes tabular deep learning easy by providing a PyTorch-based data structure to handle complex tabular data, introducing a…

Machine Learning · Computer Science 2024-12-17 Weihua Hu , Yiwen Yuan , Zecheng Zhang , Akihiro Nitta , Kaidi Cao , Vid Kocijan , Jinu Sunil , Jure Leskovec , Matthias Fey

Message passing on hypergraphs has been a standard framework for learning higher-order correlations between hypernodes. Recently-proposed hypergraph neural networks (HGNNs) can be categorized into spatial and spectral methods based on their…

Machine Learning · Computer Science 2024-05-28 Siddhant Saxena , Shounak Ghatak , Raghu Kolla , Debashis Mukherjee , Tanmoy Chakraborty

Polygon representation learning is essential for diverse applications, encompassing tasks such as shape coding, building pattern classification, and geographic question answering. While recent years have seen considerable advancements in…

Computer Vision and Pattern Recognition · Computer Science 2025-04-10 Dazhou Yu , Yuntong Hu , Yun Li , Liang Zhao

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

We introduce pygrank, an open source Python package to define, run and evaluate node ranking algorithms. We provide object-oriented and extensively unit-tested algorithm components, such as graph filters, post-processors, measures,…

Machine Learning · Computer Science 2021-10-19 Emmanouil Krasanakis , Symeon Papadopoulos , Ioannis Kompatsiaris , Andreas Symeonidis

Graph neural networks (GNNs) have recently exploded in popularity thanks to their broad applicability to ubiquitous graph-related problems such as quantum chemistry, drug discovery, and high energy physics. However, meeting demand for novel…

Machine Learning · Computer Science 2022-01-24 Stefan Abi-Karam , Yuqi He , Rishov Sarkar , Lakshmi Sathidevi , Zihang Qiao , Cong Hao

We introduce a novel variant of GNN for particle tracking called Hierarchical Graph Neural Network (HGNN). The architecture creates a set of higher-level representations which correspond to tracks and assigns spacepoints to these tracks,…

High Energy Physics - Experiment · Physics 2023-03-06 Ryan Liu , Paolo Calafiura , Steven Farrell , Xiangyang Ju , Daniel Thomas Murnane , Tuan Minh Pham

Accurate and efficient physical simulations are essential in science and engineering, yet traditional numerical solvers face significant challenges in computational cost when handling simulations across dynamic scenarios involving complex…

Computational Engineering, Finance, and Science · Computer Science 2025-12-12 Pengwei Liu , Xingyu Ren , Pengkai Wang , Hangjie Yuan , Zhongkai Hao , Guanyu Chen , Chao Xu , Dong Ni , Shengze Cai

When processing a batch of graphs in machine learning models such as Graph Neural Networks (GNN), it is common to combine several small graphs into one overall graph to accelerate processing and remove or reduce the overhead of padding.…

Machine Learning · Computer Science 2022-09-20 Mario Michael Krell , Manuel Lopez , Sreenidhi Anand , Hatem Helal , Andrew William Fitzgibbon

Network architecture plays a key role in the deep learning-based computer vision system. The widely-used convolutional neural network and transformer treat the image as a grid or sequence structure, which is not flexible to capture…

Computer Vision and Pattern Recognition · Computer Science 2022-11-07 Kai Han , Yunhe Wang , Jianyuan Guo , Yehui Tang , Enhua Wu

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

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

Graph neural networks (GNNs) have achieved great success in various graph problems. However, most GNNs are Message Passing Neural Networks (MPNNs) based on the homophily assumption, where nodes with the same label are connected in graphs.…

Machine Learning · Computer Science 2022-10-18 Junjie Xu , Enyan Dai , Xiang Zhang , Suhang Wang

Graph neural networks (GNNs) have been widely used in deep learning on graphs. They can learn effective node representations that achieve superior performances in graph analysis tasks such as node classification and node clustering.…

Machine Learning · Computer Science 2021-04-19 Jianxin Li , Hao Peng , Yuwei Cao , Yingtong Dou , Hekai Zhang , Philip S. Yu , Lifang He

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…

Machine Learning · Computer Science 2019-02-26 Yifan Feng , Haoxuan You , Zizhao Zhang , Rongrong Ji , Yue Gao

Hypergraph Neural Networks (HGNNs) have recently attracted much attention and exhibited satisfactory performance due to their superiority in high-order correlation modeling. However, it is noticed that the high-order modeling capability of…

Machine Learning · Computer Science 2024-02-20 Yifan Feng , Yihe Luo , Shihui Ying , Yue Gao