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Medication Recommendation (MR) is a promising research topic which booms diverse applications in the healthcare and clinical domains. However, existing methods mainly rely on sequential modeling and static graphs for representation…

Machine Learning · Computer Science 2025-01-16 Guanlin Liu , Xiaomei Yu , Zihao Liu , Xue Li , Xingxu Fan , Xiangwei Zheng

Knowledge graphs are powerful tools for representing and organising complex biomedical data. Several knowledge graph embedding algorithms have been proposed to learn from and complete knowledge graphs. However, a recent study demonstrates…

The human brain can be considered as complex networks, composed of various regions that continuously exchange their information with each other, forming the brain network graph, from which nodes and edges are extracted using resting-state…

Machine Learning · Computer Science 2025-02-19 Parnian Jalali , Mehran Safayani

In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting them into undirected formats…

Machine Learning · Computer Science 2024-12-12 Henan Sun , Xunkai Li , Daohan Su , Junyi Han , Rong-Hua Li , Guoren Wang

Advanced recommender systems usually involve multiple domains (such as scenarios or categories) for various marketing strategies, and users interact with them to satisfy diverse demands. The goal of multi-domain recommendation (MDR) is to…

Information Retrieval · Computer Science 2023-04-20 Zixuan Xu , Penghui Wei , Shaoguo Liu , Weimin Zhang , Liang Wang , Bo Zheng

The sharing of external data has become a strong demand of financial institutions, but the privacy issue has led to the difficulty of interconnecting different platforms and the low degree of data openness. To effectively solve the privacy…

Machine Learning · Computer Science 2025-05-02 Zhizhong Tan , Jiexin Zheng , Kevin Qi Zhang , Wenyong Wang

Repurposing existing drugs to treat new diseases is a cost-effective alternative to de novo drug development, but there are millions of potential drug-disease combinations to be considered with only a small fraction being viable. In silico…

Quantitative Methods · Quantitative Biology 2025-10-24 Austin Polanco , M. E. J. Newman

Representation learning on heterogeneous graphs aims to obtain meaningful node representations to facilitate various downstream tasks, such as node classification and link prediction. Existing heterogeneous graph learning methods are…

Machine Learning · Computer Science 2022-04-19 Le Yu , Leilei Sun , Bowen Du , Chuanren Liu , Weifeng Lv , Hui Xiong

Recent progress in deep learning is revolutionizing the healthcare domain including providing solutions to medication recommendations, especially recommending medication combination for patients with complex health conditions. Existing…

Artificial Intelligence · Computer Science 2019-03-08 Junyuan Shang , Cao Xiao , Tengfei Ma , Hongyan Li , Jimeng Sun

Knowledge graph (KG) is used to represent data in terms of entities and structural relations between the entities. This representation can be used to solve complex problems such as recommendation systems and question answering. In this…

Artificial Intelligence · Computer Science 2022-12-09 Ajay Kumar Gogineni

This work considers the problem of heterogeneous graph-level anomaly detection. Heterogeneous graphs are commonly used to represent behaviours between different types of entities in complex industrial systems for capturing as much…

Machine Learning · Computer Science 2023-08-29 Jiaxi Li , Guansong Pang , Ling Chen , Mohammad-Reza Namazi-Rad

Real-world heterogeneous graphs are inherently noisy and usually not in the optimal graph structures for downstream tasks, which often adversely affects the performance of GRL models in downstream tasks. Although Graph Structure Learning…

Machine Learning · Computer Science 2026-04-08 He Zhao , Zhiwei Zeng , Yongwei Wang , Chunyan Miao

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

Heterogeneous graph neural network (HGNN) is a very popular technique for the modeling and analysis of heterogeneous graphs. Most existing HGNN-based approaches are supervised or semi-supervised learning methods requiring graphs to be…

Machine Learning · Computer Science 2023-11-17 Cuiying Huo , Dongxiao He , Yawen Li , Di Jin , Jianwu Dang , Weixiong Zhang , Witold Pedrycz , Lingfei Wu

In the digital era, users typically interact with diverse items across multiple domains (e.g., e-commerce, streaming platforms, and social networks), generating intricate heterogeneous interaction graphs. Leveraging multi-domain data can…

Information Retrieval · Computer Science 2025-07-11 Hengyu Zhang , Chunxu Shen , Xiangguo Sun , Jie Tan , Yu Rong , Chengzhi Piao , Hong Cheng , Lingling Yi

Retrosynthetic planning, which aims to find a reaction pathway to synthesize a target molecule, plays an important role in chemistry and drug discovery. This task is usually modeled as a search problem. Recently, data-driven methods have…

Artificial Intelligence · Computer Science 2022-06-24 Shufang Xie , Rui Yan , Peng Han , Yingce Xia , Lijun Wu , Chenjuan Guo , Bin Yang , Tao Qin

Graph Neural Networks (GNNs) have gained traction in the complex domain of drug discovery because of their ability to process graph-structured data such as drug molecule models. This approach has resulted in a myriad of methods and models…

Machine Learning · Computer Science 2025-09-10 Katherine Berry , Liang Cheng

Traditional drug design faces significant challenges due to inherent chemical and biological complexities, often resulting in high failure rates in clinical trials. Deep learning advancements, particularly generative models, offer potential…

Quantitative Methods · Quantitative Biology 2025-08-27 Mahsa Sheikholeslami , Navid Mazrouei , Yousof Gheisari , Afshin Fasihi , Matin Irajpour , Ali Motahharynia

Recent years have witnessed the rapid accumulation of massive electronic medical records (EMRs), which highly support the intelligent medical services such as drug recommendation. However, prior arts mainly follow the traditional…

Information Retrieval · Computer Science 2021-02-09 Zhi Zheng , Chao Wang , Tong Xu , Dazhong Shen , Penggang Qin , Baoxing Huai , Tongzhu Liu , Enhong Chen

Network science is already making an impact on the study of complex systems and offers a promising variety of tools to understand their formation and evolution (1-4) in many disparate fields from large communication networks (5,6),…

Biomolecules · Quantitative Biology 2007-11-13 Jose C Nacher , Jean-Marc Schwartz