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It is a common practice in modern medicine to prescribe multiple medications simultaneously to treat diseases. However, these medications could have adverse reactions between them, known as Drug-Drug Interactions (DDI), which have the…

Machine Learning · Computer Science 2024-12-10 Azwad Tamir , Jiann-Shiun Yuan

Multimodal movie genre classification has always been regarded as a demanding multi-label classification task due to the diversity of multimodal data such as posters, plot summaries, trailers and metadata. Although existing works have made…

Artificial Intelligence · Computer Science 2023-10-13 Jiaqi Li , Guilin Qi , Chuanyi Zhang , Yongrui Chen , Yiming Tan , Chenlong Xia , Ye Tian

The use of drug combinations, termed polypharmacy, is common to treat patients with complex diseases and co-existing conditions. However, a major consequence of polypharmacy is a much higher risk of adverse side effects for the patient.…

Machine Learning · Computer Science 2018-08-15 Marinka Zitnik , Monica Agrawal , Jure Leskovec

As an efficient model for knowledge organization, the knowledge graph has been widely adopted in several fields, e.g., biomedicine, sociology, and education. And there is a steady trend of learning embedding representations of knowledge…

Computation and Language · Computer Science 2024-04-01 Siyu Yao , Ruijie Wang , Shen Sun , Derui Bu , Jun Liu

Drug-drug interaction event (DDIE) prediction is crucial for preventing adverse reactions and ensuring optimal therapeutic outcomes. However, existing methods often face challenges with imbalanced datasets, complex interaction mechanisms,…

Machine Learning · Computer Science 2026-03-16 Pengfei Liu , Jun Tao , Zhixiang Ren

Accurate prediction of drug-drug interactions (DDI) is crucial for medication safety and effective drug development. However, existing methods often struggle to capture structural information across different scales, from local functional…

Machine Learning · Computer Science 2026-03-27 Zimo Yan , Jie Zhang , Zheng Xie , Yiping Song , Hao Li

We introduce Bi-GNN for modeling biological link prediction tasks such as drug-drug interaction (DDI) and protein-protein interaction (PPI). Taking drug-drug interaction as an example, existing methods using machine learning either only…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Yunsheng Bai , Ken Gu , Yizhou Sun , Wei Wang

Network embedding has attracted an increasing attention over the past few years. As an effective approach to solve graph mining problems, network embedding aims to learn a low-dimensional feature vector representation for each node of a…

Social and Information Networks · Computer Science 2020-08-10 Xiao Shen , Fu-Lai Chung

Graph structured data often possess dynamic characters in nature. Recent years have witnessed the increasing attentions paid to dynamic graph neural networks for modelling graph data. However, almost all existing approaches operate under…

Machine Learning · Computer Science 2024-04-12 Hanjie Li , Changsheng Li , Kaituo Feng , Ye Yuan , Guoren Wang , Hongyuan Zha

Computational biology offers immense potential for reducing the high costs and protracted cycles of new drug development through adverse drug reaction (ADR) prediction. However, current methods remain impeded by drug data scarcity-induced…

Machine Learning · Computer Science 2026-01-06 Yuyan Pi , Min Jin , Wentao Xie , Xinhua Liu

The problem of knowledge graph (KG) reasoning has been widely explored by traditional rule-based systems and more recently by knowledge graph embedding methods. While logical rules can capture deterministic behavior in a KG they are brittle…

Artificial Intelligence · Computer Science 2020-09-24 Susheel Suresh , Jennifer Neville

Leveraging domain knowledge including fingerprints and functional groups in molecular representation learning is crucial for chemical property prediction and drug discovery. When modeling the relation between graph structure and molecular…

Machine Learning · Computer Science 2021-03-25 Yin Fang , Haihong Yang , Xiang Zhuang , Xin Shao , Xiaohui Fan , Huajun Chen

Can neural networks learn to compare graphs without feature engineering? In this paper, we show that it is possible to learn representations for graph similarity with neither domain knowledge nor supervision (i.e.\ feature engineering or…

Machine Learning · Computer Science 2019-04-23 Rami Al-Rfou , Dustin Zelle , Bryan Perozzi

Predicting and discovering drug-drug interactions (DDIs) using machine learning has been studied extensively. However, most of the approaches have focused on text data or textual representation of the drug structures. We present the first…

Machine Learning · Computer Science 2021-03-22 Devendra Singh Dhami , Siwen Yan , Gautam Kunapuli , David Page , Sriraam Natarajan

The discovery of novel drug target (DT) interactions is an important step in the drug development process. The majority of computer techniques for predicting DT interactions have focused on binary classification, with the goal of…

Machine Learning · Computer Science 2023-03-22 Partho Ghosh , Md. Aynal Haque

In knowledge graph embedding, aside from positive triplets (ie: facts in the knowledge graph), the negative triplets used for training also have a direct influence on the model performance. In reality, since knowledge graphs are sparse and…

Artificial Intelligence · Computer Science 2025-10-28 Ran Liu , Zhongzhou Liu , Xiaoli Li , Hao Wu , Yuan Fang

In the current deep learning based recommendation system, the embedding method is generally employed to complete the conversion from the high-dimensional sparse feature vector to the low-dimensional dense feature vector. However, as the…

Information Retrieval · Computer Science 2021-08-10 Huimin Zhou , Qing Li , Yong Jiang , Rongwei Yang , Zhuyun Qi

Accurate and efficient prediction of the molecular properties of drugs is one of the fundamental problems in drug research and development. Recent advancements in representation learning have been shown to greatly improve the performance of…

Biomolecules · Quantitative Biology 2022-06-17 Hui Liu , Yibiao Huang , Xuejun Liu , Lei Deng

Biomedical Knowledge Graphs (BKGs) integrate diverse datasets to elucidate complex relationships within the biomedical field. Effective link prediction on these graphs can uncover valuable connections, such as potential novel drug-disease…

Computation and Language · Computer Science 2025-07-01 Tien Dang , Viet Thanh Duy Nguyen , Minh Tuan Le , Truong-Son Hy

Drug resistance is still a major challenge in cancer therapy. Drug combination is expected to overcome drug resistance. However, the number of possible drug combinations is enormous, and thus it is infeasible to experimentally screen all…

Genomics · Quantitative Biology 2018-11-20 Tianyu Zhang , Liwei Zhang , Philip R. O. Payne , Fuhai Li
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