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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

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

Machine Learning · Computer Science 2022-03-18 Max Horn , Edward De Brouwer , Michael Moor , Yves Moreau , Bastian Rieck , Karsten Borgwardt

The progress in hyperbolic neural networks (HNNs) research is hindered by their absence of inductive bias mechanisms, which are essential for generalizing to new tasks and facilitating scalable learning over large datasets. In this paper,…

Machine Learning · Computer Science 2023-10-31 Nurendra Choudhary , Nikhil Rao , Chandan K. Reddy

Hypergraphs can model higher-order relationships among data objects that are found in applications such as social networks and bioinformatics. However, recent studies on hypergraph learning that extend graph convolutional networks to…

Machine Learning · Computer Science 2024-05-29 Yumeng Song , Yu Gu , Tianyi Li , Jianzhong Qi , Zhenghao Liu , Christian S. Jensen , Ge Yu

We introduce Hyper Input Convex Neural Networks (HyCNNs), a novel neural network architecture designed for learning convex functions. HyCNNs combine the principles of Maxout networks with input convex neural networks (ICNNs) to create a…

Machine Learning · Computer Science 2026-04-30 Shayan Hundrieser , Insung Kong , Johannes Schmidt-Hieber

With the advancement of mobile technology, Point of Interest (POI) recommendation systems in Location-based Social Networks (LBSN) have brought numerous benefits to both users and companies. Many existing works employ Knowledge Graph (KG)…

Artificial Intelligence · Computer Science 2023-11-29 Jixiao Zhang , Yongkang Li , Ruotong Zou , Jingyuan Zhang , Zipei Fan , Xuan Song

Heterogeneous Graph Neural Networks (HGNNs) have exhibited powerful performance in heterogeneous graph learning by aggregating information from various types of nodes and edges. However, existing heterogeneous graph models often struggle to…

Machine Learning · Computer Science 2025-09-30 Ranhui Yan , Jia cai

\textit{Graph neural networks} (GNNs) are effective models for many dynamical systems consisting of entities and relations. Although most GNN applications assume a single type of entity and relation, many situations involve multiple types…

Machine Learning · Computer Science 2023-10-12 Ferran Alet , Erica Weng , Tomás Lozano Pérez , Leslie Pack Kaelbling

Heterogeneous graphs (HGs) are common in real-world scenarios and often exhibit heterophily. However, most existing studies focus on either heterogeneity or heterophily in isolation, overlooking the prevalence of heterophilic HGs in…

Machine Learning · Computer Science 2025-08-11 Qin Chen , Guojie Song

Graph matching pairs corresponding nodes across two or more graphs. The problem is difficult as it is hard to capture the structural similarity across graphs, especially on large graphs. We propose to incorporate high-order information for…

Artificial Intelligence · Computer Science 2020-10-12 Hui Xu , Liyao Xiang , Youmin Le , Xiaoying Gan , Yuting Jia , Luoyi Fu , Xinbing Wang

Capturing long-range dependencies in feature representations is crucial for many visual recognition tasks. Despite recent successes of deep convolutional networks, it remains challenging to model non-local context relations between visual…

Computer Vision and Pattern Recognition · Computer Science 2019-05-29 Songyang Zhang , Shipeng Yan , Xuming He

Hypergraph offers a framework to depict the multilateral relationships in real-world complex data. Predicting higher-order relationships, i.e hyperedge, becomes a fundamental problem for the full understanding of complicated interactions.…

Social and Information Networks · Computer Science 2021-06-15 Changlin Wan , Muhan Zhang , Wei Hao , Sha Cao , Pan Li , Chi Zhang

We present a Morphology-Informed Heterogeneous Graph Neural Network (MI-HGNN) for learning-based contact perception. The architecture and connectivity of the MI-HGNN are constructed from the robot morphology, in which nodes and edges are…

Robotics · Computer Science 2025-04-04 Daniel Butterfield , Sandilya Sai Garimella , Nai-Jen Cheng , Lu Gan

Hypergraph Neural networks (HyperGNNs) and hypergraph signal denoising (HyperGSD) are two fundamental topics in higher-order network modeling. Understanding the connection between these two domains is particularly useful for designing novel…

Machine Learning · Computer Science 2023-09-18 Fuli Wang , Karelia Pena-Pena , Wei Qian , Gonzalo R. Arce

Molecular dynamics (MD) simulations enable the study of the motion of small and large (bio)molecules and the estimation of their conformational ensembles. The description of the environment (solvent) has thereby a large impact. Implicit…

Chemical Physics · Physics 2023-05-25 Paul Katzberger , Sereina Riniker

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

Higher-order interactions (HOIs) are ubiquitous in real-world complex systems and applications. Investigation of deep learning for HOIs, thus, has become a valuable agenda for the data mining and machine learning communities. As networks of…

Machine Learning · Computer Science 2024-07-26 Sunwoo Kim , Soo Yong Lee , Yue Gao , Alessia Antelmi , Mirko Polato , Kijung Shin

Over-parameterized neural networks generalize well in practice without any explicit regularization. Although it has not been proven yet, empirical evidence suggests that implicit regularization plays a crucial role in deep learning and…

Machine Learning · Computer Science 2019-03-07 Masayoshi Kubo , Ryotaro Banno , Hidetaka Manabe , Masataka Minoji

Graph neural networks (GNNs) have emerged as the standard method for numerous tasks on graph-structured data such as node classification. However, real-world graphs are often evolving over time and even new classes may arise. We model these…

Machine Learning · Computer Science 2021-12-21 Lukas Galke , Benedikt Franke , Tobias Zielke , Ansgar Scherp

Graph Neural Networks (GNNs) have been widely used for modeling graph-structured data. With the development of numerous GNN variants, recent years have witnessed groundbreaking results in improving the scalability of GNNs to work on static…

Machine Learning · Computer Science 2022-06-06 Yanping Zheng , Hanzhi Wang , Zhewei Wei , Jiajun Liu , Sibo Wang