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Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

Community detection, aiming to group the graph nodes into clusters with dense inner-connection, is a fundamental graph mining task. Recently, it has been studied on the heterogeneous graph, which contains multiple types of nodes and edges,…

Social and Information Networks · Computer Science 2021-09-07 Linhao Luo , Yixiang Fang , Xin Cao , Xiaofeng Zhang , Wenjie Zhang

Alzheimer's disease (AD) is a progressive neurodegenerative condition necessitating early and precise diagnosis to provide prompt clinical management. Given the paramount importance of early diagnosis, recent studies have increasingly…

Machine Learning · Computer Science 2026-02-18 Fatemeh Khalvandi , Saadat Izadi , Abdolah Chalechale

Heterogeneous Graph Neural Networks (HGNNs), have demonstrated excellent capabilities in processing heterogeneous information networks. Self-supervised learning on heterogeneous graphs, especially contrastive self-supervised strategy, shows…

Machine Learning · Computer Science 2025-06-09 Yanbei Liu , Chongxu Wang , Zhitao Xiao , Lei Geng , Yanwei Pang , Xiao Wang

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various…

Social and Information Networks · Computer Science 2021-12-15 Wentao Xu , Yingce Xia , Weiqing Liu , Jiang Bian , Jian Yin , Tie-Yan Liu

The heterogeneity of breast cancer presents considerable challenges for its early detection, prognosis, and treatment selection. Convolutional neural networks often neglect the spatial relationships within histopathological images, which…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Akhila Krishna K , Ravi Kant Gupta , Nikhil Cherian Kurian , Pranav Jeevan , Amit Sethi

The widespread application of Electronic Health Records (EHR) data in the medical field has led to early successes in disease risk prediction using deep learning methods. These methods typically require extensive data for training due to…

Machine Learning · Computer Science 2024-11-28 Shibo Li , Hengliang Cheng , Weihua Li

Disease-gene prediction (DGP) refers to the computational challenge of predicting associations between genes and diseases. Effective solutions to the DGP problem have the potential to accelerate the therapeutic development pipeline at early…

Machine Learning · Computer Science 2019-07-15 Vikash Singh , Pietro Lio'

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

Medicinal synergy prediction is a powerful tool in drug discovery and development that harnesses the principles of combination therapy to enhance therapeutic outcomes by improving efficacy, reducing toxicity, and preventing drug resistance.…

Computational Engineering, Finance, and Science · Computer Science 2024-11-26 Jiawei Wu , Jun Wen , Mingyuan Yan , Anqi Dong , Shuai Gao , Ren Wang , Can Chen

Retrieving gene functional networks from knowledge databases presents a challenge due to the mismatch between disease networks and subtype-specific variations. Current solutions, including statistical and deep learning methods, often fail…

Machine Learning · Computer Science 2025-02-25 Ziwei Yang , Zheng Chen , Xin Liu , Rikuto Kotoge , Peng Chen , Yasuko Matsubara , Yasushi Sakurai , Jimeng Sun

Encoding a driving scene into vector representations has been an essential task for autonomous driving that can benefit downstream tasks e.g. trajectory prediction. The driving scene often involves heterogeneous elements such as the…

Artificial Intelligence · Computer Science 2023-07-21 Xiaosong Jia , Penghao Wu , Li Chen , Yu Liu , Hongyang Li , Junchi Yan

Heterogeneous graphs have multiple node and edge types and are semantically richer than homogeneous graphs. To learn such complex semantics, many graph neural network approaches for heterogeneous graphs use metapaths to capture multi-hop…

Machine Learning · Computer Science 2022-07-26 See Hian Lee , Feng Ji , Wee Peng Tay

Imaging-based early diagnosis of Alzheimer Disease (AD) has become an effective approach, especially by using nuclear medicine imaging techniques such as Positron Emission Topography (PET). In various literature it has been found that PET…

Machine Learning · Computer Science 2021-03-24 Jiaming Guo , Wei Qiu , Xiang Li , Xuandong Zhao , Ning Guo , Quanzheng Li

Modeling the interactions between drugs, targets, and diseases is paramount in drug discovery and has significant implications for precision medicine and personalized treatments. Current approaches frequently consider drug-target or…

Machine Learning · Computer Science 2023-12-04 Farhan Tanvir , Khaled Mohammed Saifuddin , Tanvir Hossain , Arunkumar Bagavathi , Esra Akbas

Knowledge Tracing (KT) aims to model a student's learning trajectory and predict performance on the next question. A key challenge is how to better represent the relationships among students, questions, and knowledge concepts (KCs).…

Artificial Intelligence · Computer Science 2026-01-26 Chi Yu , Hongyu Yuan , Zhiyi Duan

Motivation: Drug repurposing is a viable solution for reducing the time and cost associated with drug development. However, thus far, the proposed drug repurposing approaches still need to meet expectations. Therefore, it is crucial to…

Machine Learning · Computer Science 2024-05-21 Ali Gharizadeh , Karim Abbasi , Amin Ghareyazi , Mohammad R. K. Mofrad , Hamid R. Rabiee

Genetic mutations can disrupt protein structure, stability, and solubility, contributing to a wide range of diseases. Existing predictive models often lack interpretability and fail to integrate physical and chemical interactions critical…

Quantitative Methods · Quantitative Biology 2025-10-01 JunJie Wee , Faisal Suwayyid , Mushal Zia , Hongsong Feng , Yuta Hozumi , Guo-Wei Wei

Swift and accurate blood smear analysis is an effective diagnostic method for leukemia and other hematological malignancies. However, manual leukocyte count and morphological evaluation using a microscope is time-consuming and prone to…

Computer Vision and Pattern Recognition · Computer Science 2024-10-22 Chandravardhan Singh Raghaw , Arnav Sharma , Shubhi Bansal , Mohammad Zia Ur Rehman , Nagendra Kumar

Dependency graph, as a heterogeneous graph representing the intrinsic relationships between different pairs of system entities, is essential to many data analysis applications, such as root cause diagnosis, intrusion detection, etc. Given a…

Artificial Intelligence · Computer Science 2017-08-29 Chen Luo , Zhengzhang Chen , Lu-An Tang , Anshumali Shrivastava , Zhichun Li