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Drug-Drug Interactions (DDIs) significantly influence therapeutic efficacy and patient safety. As experimental discovery is resource-intensive and time-consuming, efficient computational methodologies have become essential. The predominant…

Machine Learning · Computer Science 2026-02-03 Xinmo Jin , Bowen Fan , Xunkai Li , Henan Sun , YuXin Zeng , Zekai Chen , Yuxuan Sun , Jia Li , Qiangqiang Dai , Hongchao Qin , Rong-Hua Li , Guoren Wang

Motivation: Predicting the drug-target interaction is crucial for drug discovery as well as drug repurposing. Machine learning is commonly used in drug-target affinity (DTA) problem. However, machine learning model faces the cold-start…

Biomolecules · Quantitative Biology 2022-02-03 Tri Minh Nguyen , Thin Nguyen , Truyen Tran

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

Link prediction aims to estimate the likelihood of connections between pairs of nodes in complex networks, which is beneficial to many applications from friend recommendation to metabolic network reconstruction. Traditional heuristic-based…

Social and Information Networks · Computer Science 2025-04-30 Ke-ke Shang , Junfan Yi , Michael Small , Yijie Zhou

This paper attacks time-domain identification for interaction parameters of a heterogeneous networked dynamic system (NDS), with each of its subsystems being described by a continuous-time descriptor quadratic-bilinear time-invariant (QBTI)…

Multiagent Systems · Computer Science 2025-11-11 Tong Zhou , Yubing Li

Click Through Rate (CTR) prediction plays an essential role in recommender systems and online advertising. It is crucial to effectively model feature interactions to improve the prediction performance of CTR models. However, existing…

Information Retrieval · Computer Science 2023-11-09 Fangye Wang , Hansu Gu , Dongsheng Li , Tun Lu , Peng Zhang , Ning Gu

Student engagement is a critical factor influencing academic success and learning outcomes. Accurately predicting student engagement is essential for optimizing teaching strategies and providing personalized interventions. However, most…

Multimedia · Computer Science 2025-12-24 Ziyang Fan , Li Tao , Yi Wang , Jingwei Qu , Ying Wang , Fei Jiang

Estimating heterogeneous treatment effects in network settings is complicated by interference, meaning that the outcome of an instance can be influenced by the treatment status of others. Existing causal machine learning approaches usually…

Machine Learning · Computer Science 2025-10-27 Daan Caljon , Jente Van Belle , Wouter Verbeke

Click-through rate (CTR) prediction is an essential task in web applications such as online advertising and recommender systems, whose features are usually in multi-field form. The key of this task is to model feature interactions among…

Information Retrieval · Computer Science 2020-07-27 Zekun Li , Zeyu Cui , Shu Wu , Xiaoyu Zhang , Liang Wang

The construction of spatiotemporal networks using graph convolution networks (GCNs) has become one of the most popular methods for predicting traffic signals. However, when using a GCN for traffic speed prediction, the conventional approach…

Machine Learning · Computer Science 2022-09-07 JunKyu Jang , Sung-Hyuk Park

Using multimodal neuroimaging data to characterize brain network is currently an advanced technique for Alzheimer's disease(AD) Analysis. Over recent years the neuroimaging community has made tremendous progress in the study of…

Computer Vision and Pattern Recognition · Computer Science 2021-07-22 Junren Pan , Baiying Lei , Yanyan Shen , Yong Liu , Zhiguang Feng , Shuqiang Wang

Drug-drug interaction prediction is a crucial issue in molecular biology. Traditional methods of observing drug-drug interactions through medical experiments require significant resources and labor. This paper presents a medical knowledge…

Computation and Language · Computer Science 2024-07-29 Peng Gao , Feng Gao , Jian-Cheng Ni , Yu Wang , Fei Wang

The pre-training and fine-tuning methods have gained widespread attention in the field of heterogeneous graph neural networks due to their ability to leverage large amounts of unlabeled data during the pre-training phase, allowing the model…

Machine Learning · Computer Science 2025-07-11 Pengfei Jiao , Jialong Ni , Di Jin , Xuan Guo , Huan Liu , Hongjiang Chen , Yanxian Bi

In the last decades, people have been consuming and combining more drugs than before, increasing the number of Drug-Drug Interactions (DDIs). To predict unknown DDIs, recently, studies started incorporating Knowledge Graphs (KGs) since they…

Artificial Intelligence · Computer Science 2023-08-14 Lizzy Farrugia , Lilian M. Azzopardi , Jeremy Debattista , Charlie Abela

Predicting medications is a crucial task in many intelligent healthcare systems. It can assist doctors in making informed medication decisions for patients according to electronic medical records (EMRs). However, medication prediction is a…

Artificial Intelligence · Computer Science 2022-05-02 Yang An , Bo Jin , Xiaopeng Wei

Knowledge based dialogue systems have attracted increasing research interest in diverse applications. However, for disease diagnosis, the widely used knowledge graph is hard to represent the symptom-symptom relations and symptom-disease…

Computation and Language · Computer Science 2020-12-29 Xinyan Zhao , Liangwei Chen , Huanhuan Chen

As the market for illicit drugs remains extremely profitable, major online platforms have become direct-to-consumer intermediaries for illicit drug trafficking participants. These online activities raise significant social concerns that…

Machine Learning · Computer Science 2025-03-05 Tianyi Ma , Yiyue Qian , Zehong Wang , Zheyuan Zhang , Chuxu Zhang , Yanfang Ye

Drug-drug interaction (DDI) identification is a crucial aspect of pharmacology research. There are many DDI types (hundreds), and they are not evenly distributed with equal chance to occur. Some of the rarely occurred DDI types are often…

Machine Learning · Computer Science 2024-10-17 Liangwei Nathan Zheng , Chang George Dong , Wei Emma Zhang , Xin Chen , Lin Yue , Weitong Chen

We propose a novel graph-driven generative model, that unifies multiple heterogeneous learning tasks into the same framework. The proposed model is based on the fact that heterogeneous learning tasks, which correspond to different…

Machine Learning · Computer Science 2019-11-21 Wenlin Wang , Hongteng Xu , Zhe Gan , Bai Li , Guoyin Wang , Liqun Chen , Qian Yang , Wenqi Wang , Lawrence Carin

Graph representation learning (GRL) has emerged as an effective technique for modeling graph-structured data. When modeling heterogeneity and dynamics in real-world complex networks, GRL methods designed for complex heterogeneous temporal…

Social and Information Networks · Computer Science 2026-05-19 Huan Liu , Pengfei Jiao , Mengzhou Gao , Chaochao Chen , Di Jin