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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

Graph Neural Networks (GNNs) face a fundamental adaptability challenge: their fixed message-passing architectures struggle with the immense diversity of real-world graphs, where optimal computational strategies vary by local structure and…

Machine Learning · Computer Science 2025-10-27 Yunlong Chu , Minglai Shao , Zengyi Wo , Bing Hao , Yuhang Liu , Ruijie Wang , Jianxin Li

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

Graph Neural Networks (GNNs) have shown expressive performance on graph representation learning by aggregating information from neighbors. Recently, some studies have discussed the importance of modeling neighborhood distribution on the…

Machine Learning · Computer Science 2023-01-31 Wendong Bi , Lun Du , Qiang Fu , Yanlin Wang , Shi Han , Dongmei Zhang

Graph Neural Networks (GNNs) often assume strong homophily for graph classification, seldom considering heterophily, which means connected nodes tend to have different class labels and dissimilar features. In real-world scenarios, graphs…

Machine Learning · Computer Science 2024-05-10 Jiayi Yang , Sourav Medya , Wei Ye

Due to its complexity, graph learning-based multi-modal integration and classification is one of the most challenging obstacles for disease prediction. To effectively offset the negative impact between modalities in the process of…

Machine Learning · Computer Science 2025-02-14 Jin Liu , Junbin Mao , Hanhe Lin , Hulin Kuang , Shirui Pan , Xusheng Wu , Shan Xie , Fei Liu , Yi Pan

Heterogeneous graph neural networks (HGNNs) have powerful capability to embed rich structural and semantic information of a heterogeneous graph into node representations. Existing HGNNs inherit many mechanisms from graph neural networks…

Machine Learning · Computer Science 2023-09-04 Xiaocheng Yang , Mingyu Yan , Shirui Pan , Xiaochun Ye , Dongrui Fan

Nowadays, with the explosive growth of multimodal reviews on social media platforms, multimodal sentiment analysis has recently gained popularity because of its high relevance to these social media posts. Although most previous studies…

Computation and Language · Computer Science 2022-01-26 Luwei Xiao , Xingjiao Wu , Wen Wu , Jing Yang , Liang He

The real-world networks often compose of different types of nodes and edges with rich semantics, widely known as heterogeneous information network (HIN). Heterogeneous network embedding aims to embed nodes into low-dimensional vectors which…

Social and Information Networks · Computer Science 2020-12-24 Xiaohe Li , Lijie Wen , Chen Qian , Jianmin Wang

Multi-omics data offer unprecedented insights into complex biological systems, yet their high dimensionality, sparsity, and intricate interactions pose significant analytical challenges. Network-based approaches have advanced multi-omics…

The recent development of multimodal single-cell technology has made the possibility of acquiring multiple omics data from individual cells, thereby enabling a deeper understanding of cellular states and dynamics. Nevertheless, the…

Genomics · Quantitative Biology 2023-10-16 Wenzhuo Tang , Hongzhi Wen , Renming Liu , Jiayuan Ding , Wei Jin , Yuying Xie , Hui Liu , Jiliang Tang

Heterogeneous graphs offer powerful data representations for traffic, given their ability to model the complex interaction effects among a varying number of traffic participants and the underlying road infrastructure. With the recent advent…

Machine Learning · Computer Science 2023-04-25 Eivind Meyer , Maurice Brenner , Bowen Zhang , Max Schickert , Bilal Musani , Matthias Althoff

Graph representation learning has been widely studied and demonstrated effectiveness in various graph tasks. Most existing works embed graph data in the Euclidean space, while recent works extend the embedding models to hyperbolic or…

Machine Learning · Computer Science 2023-04-04 Cheng Deng , Fan Xu , Jiaxing Ding , Luoyi Fu , Weinan Zhang , Xinbing Wang

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

Multimodal data provide complementary information of a natural phenomenon by integrating data from various domains with very different statistical properties. Capturing the intra-modality and cross-modality information of multimodal data is…

Machine Learning · Computer Science 2021-11-29 Maysam Behmanesh , Peyman Adibi , Mohammad Saeed Ehsani , Jocelyn Chanussot

Understanding how brain structure and function interact is key to explaining intelligence yet modeling them jointly is challenging as the structural and functional connectome capture complementary aspects of organization. We introduced…

Computer Vision and Pattern Recognition · Computer Science 2026-04-01 Badhan Mazumder , Sir-Lord Wiafe , Aline Kotoski , Vince D. Calhoun , Dong Hye Ye

Convolutional neural networks (CNNs) have demonstrated strong performance in visual recognition tasks, but their inherent reliance on regular grid structures limits their capacity to model complex topological relationships and non-local…

Computer Vision and Pattern Recognition · Computer Science 2025-08-18 Feiyue Zhao , Zhichao Zhang

Motivation: Molecular interaction networks summarize complex biological processes as graphs, whose structure is informative of biological function at multiple scales. Simultaneously, omics technologies measure the variation or activity of…

Quantitative Methods · Quantitative Biology 2020-12-24 Ramin Hasibi , Tom Michoel

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

Multi-modal named entity recognition (NER) and relation extraction (RE) aim to leverage relevant image information to improve the performance of NER and RE. Most existing efforts largely focused on directly extracting potentially useful…

Computation and Language · Computer Science 2022-12-06 Xinyu Wang , Jiong Cai , Yong Jiang , Pengjun Xie , Kewei Tu , Wei Lu