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Due to its geometric properties, hyperbolic space can support high-fidelity embeddings of tree- and graph-structured data, upon which various hyperbolic networks have been developed. Existing hyperbolic networks encode geometric priors not…

Machine Learning · Computer Science 2023-03-14 Tao Yu , Christopher De Sa

We present a morphological-symmetry-equivariant heterogeneous graph neural network, namely MS-HGNN, for robotic dynamics learning, that integrates robotic kinematic structures and morphological symmetries into a single graph network. These…

Robotics · Computer Science 2026-03-11 Fengze Xie , Sizhe Wei , Yue Song , Yisong Yue , Lu Gan

Knowledge hypergraphs generalize knowledge graphs using hyperedges to connect multiple entities and depict complicated relations. Existing methods either transform hyperedges into an easier-to-handle set of binary relations or view…

Machine Learning · Computer Science 2024-12-18 Mengfan Li , Xuanhua Shi , Chenqi Qiao , Teng Zhang , Hai Jin

In recent years, tasks of machine learning ranging from image processing & audio/video analysis to natural language understanding have been transformed by deep learning. The data content in all these scenarios are expressed via Euclidean…

Machine Learning · Computer Science 2023-11-07 Adil Mudasir Malla , Asif Ali Banka

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

Brain graph super-resolution (SR) is an under-explored yet highly relevant task in network neuroscience. It circumvents the need for costly and time-consuming medical imaging data collection, preparation, and processing. Current SR methods…

Machine Learning · Computer Science 2024-11-06 Pragya Singh , Islem Rekik

Graph Neural Networks (GNNs) have been widely studied in various graph data mining tasks. Most existingGNNs embed graph data into Euclidean space and thus are less effective to capture the ubiquitous hierarchical structures in real-world…

Machine Learning · Computer Science 2022-03-04 Xingcheng Fu , Jianxin Li , Jia Wu , Qingyun Sun , Cheng Ji , Senzhang Wang , Jiajun Tan , Hao Peng , Philip S. Yu

We present Bi-Level Attention-Based Relational Graph Convolutional Networks (BR-GCN), unique neural network architectures that utilize masked self-attentional layers with relational graph convolutions, to effectively operate on highly…

Machine Learning · Computer Science 2024-04-16 Roshni G. Iyer , Wei Wang , Yizhou Sun

Hyperbolic neural networks can effectively capture the inherent hierarchy of graph datasets, and consequently a powerful choice of GNNs. However, they entangle multiple incongruent (gyro-)vector spaces within a layer, which makes them…

Machine Learning · Computer Science 2023-06-07 Mehrdad Khatir , Nurendra Choudhary , Sutanay Choudhury , Khushbu Agarwal , Chandan K. Reddy

Various neuroimaging studies suffer from small sample size problem which often limit their reliability. Meta-analysis addresses this challenge by aggregating findings from different studies to identify consistent patterns of brain activity.…

Machine Learning · Computer Science 2025-11-27 Seunghun Baek , Jaejin Lee , Jaeyoon Sim , Minjae Jeong , Won Hwa Kim

Graph neural networks for heterogeneous graph embedding is to project nodes into a low-dimensional space by exploring the heterogeneity and semantics of the heterogeneous graph. However, on the one hand, most of existing heterogeneous graph…

Machine Learning · Computer Science 2022-12-01 Zezhi Shao , Yongjun Xu , Wei Wei , Fei Wang , Zhao Zhang , Feida Zhu

Hyperbolic geometry has emerged as an effective latent space for representing complex networks, owing to its ability to capture hierarchical organization and heterogeneous connectivity patterns using low-dimensional embeddings. As a result,…

Machine Learning · Computer Science 2026-05-01 Sofía Pérez Casulo , Marcelo Fiori , Bernardo Marenco , Federico Larroca

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

Accurate prediction of blood-brain barrier permeability (BBBP) is essential for central nervous system (CNS) drug development. While graph neural networks (GNNs) have advanced molecular property prediction, they often rely on molecular…

Machine Learning · Computer Science 2025-12-09 Trung Nguyen , Md Masud Rana , Farjana Tasnim Mukta , Chang-Guo Zhan , Duc Duy Nguyen

Material characterization using electron micrographs is a crucial but challenging task with applications in various fields, such as semiconductors, quantum materials, batteries, etc. The challenges in categorizing electron micrographs…

Machine Learning · Computer Science 2024-08-22 Sakhinana Sagar Srinivas , Rajat Kumar Sarkar , Sreeja Gangasani , Venkataramana Runkana

Graph Neural Networks (GNNs) have received considerable attention since its introduction. It has been widely applied in various fields due to its ability to represent graph structured data. However, the application of GNNs is constrained by…

Neurons and Cognition · Quantitative Biology 2023-09-20 Yihan Wu , Tao Chang , Peng Xu , Yangsong Zhang

Elucidating and accurately predicting the druggability and bioactivities of molecules plays a pivotal role in drug design and discovery and remains an open challenge. Recently, graph neural networks (GNN) have made remarkable advancements…

Machine Learning · Computer Science 2022-08-31 Weimin Zhu , Yi Zhang , DuanCheng Zhao , Jianrong Xu , Ling Wang

Gigapixel medical images provide massive data, both morphological textures and spatial information, to be mined. Due to the large data scale in histology, deep learning methods play an increasingly significant role as feature extractors.…

Image and Video Processing · Electrical Eng. & Systems 2022-06-16 Yiqing Shen , Bingxin Zhou , Xinye Xiong , Ruitian Gao , Yu Guang Wang

Stress significantly contributes to both mental and physical disorders, yet traditional self-reported questionnaires are inherently subjective. In this study, we introduce a novel framework that employs geometric machine learning to detect…

Machine Learning · Computer Science 2025-06-03 Sonia Koszut , Sam Nallaperuma-Herzberg , Pietro Lio

While hyperbolic GNNs show promise for hierarchical data, they often have limited discriminative power compared to Euclidean counterparts or the WL test, due to non-injective aggregation. To address this expressivity gap, we propose the…

Machine Learning · Computer Science 2025-07-21 Srinitish Srinivasan , Omkumar CU