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Recently, Graph Convolutional Networks (GCNs) have proven to be a powerful mean for Computer Aided Diagnosis (CADx). This approach requires building a population graph to aggregate structural information, where the graph adjacency matrix…

Artificial Intelligence · Computer Science 2021-06-17 Hao Chen , Fuzhen Zhuang , Li Xiao , Ling Ma , Haiyan Liu , Ruifang Zhang , Huiqin Jiang , Qing He

Molecular structure-property relationships are key to molecular engineering for materials and drug discovery. The rise of deep learning offers a new viable solution to elucidate the structure-property relationships directly from chemical…

Machine Learning · Computer Science 2018-10-09 Seongok Ryu , Jaechang Lim , Seung Hwan Hong , Woo Youn Kim

We have created a knowledge graph based on major data sources used in ecotoxicological risk assessment. We have applied this knowledge graph to an important task in risk assessment, namely chemical effect prediction. We have evaluated nine…

Artificial Intelligence · Computer Science 2022-03-31 Erik B. Myklebust , Ernesto Jiménez-Ruiz , Jiaoyan Chen , Raoul Wolf , Knut Erik Tollefsen

Recently brain networks have been widely adopted to study brain dynamics, brain development and brain diseases. Graph representation learning techniques on brain functional networks can facilitate the discovery of novel biomarkers for…

Machine Learning · Computer Science 2022-07-19 Haoteng Tang , Guixiang Ma , Lei Guo , Xiyao Fu , Heng Huang , Liang Zhang

Characterizing interactions between drugs is important to avoid potentially harmful combinations, to reduce off-target effects of treatments and to fight antibiotic resistant pathogens, among others. Here we present a network inference…

Molecular Networks · Quantitative Biology 2014-11-07 Roger Guimera , Marta Sales-Pardo

The escalating complexity of network threats and the inherent class imbalance in traffic data present formidable challenges for modern Intrusion Detection Systems (IDS). While Graph Neural Networks (GNNs) excel in modeling topological…

Machine Learning · Computer Science 2026-04-15 Tianxiang Xu , Zhichao Wen , Xinyu Zhao , Qi Hu , Yan Li , Chang Liu

Graph Convolutional Networks (GCNs) have been widely used due to their outstanding performance in processing graph-structured data. However, the undirected graphs limit their application scope. In this paper, we extend spectral-based graph…

Machine Learning · Computer Science 2020-04-30 Zekun Tong , Yuxuan Liang , Changsheng Sun , David S. Rosenblum , Andrew Lim

Temporal graphs are widespread in real-world applications such as social networks, as well as trade and transportation networks. Predicting dynamic links within these evolving graphs is a key problem. Many memory-based methods use temporal…

Machine Learning · Computer Science 2025-12-16 Xiaohui Zhang , Yanbo Wang , Xiyuan Wang , Muhan Zhang

In today's era, users have increasingly high expectations regarding the performance and efficiency of communication networks. Network operators aspire to achieve efficient network planning, operation, and optimization through Digital Twin…

Networking and Internet Architecture · Computer Science 2024-01-02 Aijia Liu , Shiqing Liu , Xiaobing Pei

Tiered graph autoencoders provide the architecture and mechanisms for learning tiered latent representations and latent spaces for molecular graphs that explicitly represent and utilize groups (e.g., functional groups). This enables the…

Machine Learning · Computer Science 2021-07-02 Daniel T. Chang

Integrative analysis of multi-level pharmacogenomic data for modeling dependencies across various biological domains is crucial for developing genomic-testing based treatments. Chain graphs characterize conditional dependence structures of…

The extraction of a scene graph with objects as nodes and mutual relationships as edges is the basis for a deep understanding of image content. Despite recent advances, such as message passing and joint classification, the detection of…

Computer Vision and Pattern Recognition · Computer Science 2021-07-22 Rajat Koner , Suprosanna Shit , Volker Tresp

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

The combination of the traditional convolutional network (i.e., an auto-encoder) and the graph convolutional network has attracted much attention in clustering, in which the auto-encoder extracts the node attribute feature and the graph…

Computer Vision and Pattern Recognition · Computer Science 2021-08-13 Zhihao Peng , Hui Liu , Yuheng Jia , Junhui Hou

In robotics, it's crucial to understand object deformation during tactile interactions. A precise understanding of deformation can elevate robotic simulations and have broad implications across different industries. We introduce a method…

Computer Vision and Pattern Recognition · Computer Science 2024-02-07 Mahdi Saleh , Michael Sommersperger , Nassir Navab , Federico Tombari

Motivation: Identifying drug-target interactions (DTIs) is a key step in drug repositioning. In recent years, the accumulation of a large number of genomics and pharmacology data has formed mass drug and target related heterogeneous…

Machine Learning · Computer Science 2022-10-19 Hongzhun Wang , Feng Huang , Wen Zhang

Biological systems and processes are networks of complex nonlinear regulatory interactions between nucleic acids, proteins, and metabolites. A natural way in which to represent these interaction networks is through the use of a graph. In…

Molecular Networks · Quantitative Biology 2023-01-04 Jacob Rast

Graph Convolutional Networks (GCNs) have shown strong performance in learning text representations for various tasks such as text classification, due to its expressive power in modeling graph structure data (e.g., a literature citation…

Computation and Language · Computer Science 2023-05-12 Zhibin Lu , Qianqian Xie , Benyou Wang , Jian-yun Nie

Numerous Graph Neural Networks (GNNs) have been developed to tackle the challenge of Knowledge Graph Embedding (KGE). However, many of these approaches overlook the crucial role of relation information and inadequately integrate it with…

Machine Learning · Computer Science 2024-09-24 Peyman Baghershahi , Reshad Hosseini , Hadi Moradi

Synergistic drug combinations provide huge potentials to enhance therapeutic efficacy and to reduce adverse reactions. However, effective and synergistic drug combination prediction remains an open question because of the unknown causal…

Quantitative Methods · Quantitative Biology 2023-08-24 Zehao Dong , Heming Zhang , Yixin Chen , Philip R. O. Payne , Fuhai Li