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Network embedding represents nodes in a continuous vector space and preserves structure information from the Network. Existing methods usually adopt a "one-size-fits-all" approach when concerning multi-scale structure information, such as…

Machine Learning · Computer Science 2018-03-28 Lei Sang , Min Xu , Shengsheng Qian , Xindong Wu

The discovery of drug-target interactions (DTIs) plays a crucial role in pharmaceutical development. The deep learning model achieves more accurate results in DTI prediction due to its ability to extract robust and expressive features from…

Machine Learning · Computer Science 2024-04-17 Bin Liu , Siqi Wu , Jin Wang , Xin Deng , Ao Zhou

Knowledge graph embedding aims to learn distributed representations for entities and relations, and is proven to be effective in many applications. Crossover interactions --- bi-directional effects between entities and relations --- help…

Artificial Intelligence · Computer Science 2019-03-13 Wen Zhang , Bibek Paudel , Wei Zhang , Abraham Bernstein , Huajun Chen

Recommending safe and effective medication combinations from electronic health records (EHRs) is a core clinical AI problem, yet it remains difficult because patient trajectories are long, noisy, and clinically heterogeneous. Existing…

Machine Learning · Computer Science 2026-05-21 Krati Saxena , Tomohiro Shibata

Personalized drug response has received public awareness in recent years. How to combine gene test result and drug sensitivity records is regarded as essential in the real-world implementation. Research articles are good sources to train…

Social and Information Networks · Computer Science 2019-06-20 Shiyin Wang

Influence maximization is a widely studied topic in network science, where the aim is to reach the maximum possible number of nodes, while only targeting a small initial set of individuals. It has critical applications in many fields,…

The identification of drug-target binding affinity (DTA) has attracted increasing attention in the drug discovery process due to the more specific interpretation than binary interaction prediction. Recently, numerous deep learning-based…

Machine Learning · Computer Science 2022-03-23 Zhaoyang Chu , Shichao Liu , Wen Zhang

Bayesian inference on structured models typically relies on the ability to infer posterior distributions of underlying hidden variables. However, inference in implicit models or complex posterior distributions is hard. A popular tool for…

Machine Learning · Statistics 2016-12-16 Theofanis Karaletsos

The prediction modeling of drug-target interactions is crucial to drug discovery and design, which has seen rapid advancements owing to deep learning technologies. Recently developed methods, such as those based on graph neural networks…

Quantitative Methods · Quantitative Biology 2025-11-19 Xinnan Zhang , Jialin Wu , Junyi Xie , Tianlong Chen , Kaixiong Zhou

Entity alignment (EA) refers to the task of linking entities in different knowledge graphs (KGs). Existing EA methods rely heavily on structural isomorphism. However, in real-world KGs, aligned entities usually have non-isomorphic…

Computation and Language · Computer Science 2024-11-06 Linyan Yang , Jingwei Cheng , Chuanhao Xu , Xihao Wang , Jiayi Li , Fu Zhang

Cross-lingual entity alignment, which aims to precisely connect the same entities in different monolingual knowledge bases (KBs) together, often suffers challenges from feature inconsistency to sequence context unawareness. This paper…

Computation and Language · Computer Science 2021-04-19 Gong Zhang , Yang Zhou , Sixing Wu , Zeru Zhang , Dejing Dou

Artificial neural networks are prone to being fooled by carefully perturbed inputs which cause an egregious misclassification. These \textit{adversarial} attacks have been the focus of extensive research. Likewise, there has been an…

Machine Learning · Computer Science 2023-10-11 Dwight Nwaigwe , Lucrezia Carboni , Martial Mermillod , Sophie Achard , Michel Dojat

In the treatment of complex diseases, treatment regimens using a single drug often yield limited efficacy and can lead to drug resistance. In contrast, combination drug therapies can significantly improve therapeutic outcomes through…

Machine Learning · Computer Science 2026-04-24 Jiyan Song , Wenyang Wang , Chengcheng Yan , Zhiquan Han , Feifei Zhao

Textual graphs are ubiquitous in real-world applications, featuring rich text information with complex relationships, which enables advanced research across various fields. Textual graph representation learning aims to generate…

Machine Learning · Computer Science 2024-08-22 Wenbin Hu , Huihao Jing , Qi Hu , Haoran Li , Yangqiu Song

Graph alignment, also known as network alignment, is a fundamental task in social network analysis. Many recent works have relied on partially labeled cross-graph node correspondences, i.e., anchor links. However, due to the privacy and…

Social and Information Networks · Computer Science 2019-07-02 Chaoqi Chen , Weiping Xie , Tingyang Xu , Yu Rong , Wenbing Huang , Xinghao Ding , Yue Huang , Junzhou Huang

Although deep neural networks (DNNs) have shown impressive performance on many perceptual tasks, they are vulnerable to adversarial examples that are generated by adding slight but maliciously crafted perturbations to benign images.…

Machine Learning · Computer Science 2022-10-18 Hui Liu , Bo Zhao , Kehuan Zhang , Peng Liu

Drug-target affinity (DTA) prediction is a critical aspect of drug discovery. The meaningful representation of drugs and targets is crucial for accurate prediction. Using 1D string-based representations for drugs and targets is a common…

Quantitative Methods · Quantitative Biology 2024-11-05 Kusal Debnath , Pratip Rana , Preetam Ghosh

Recently, the surge in popularity of Internet of Things (IoT), mobile devices, social media, etc. has opened up a large source for graph data. Graph embedding has been proved extremely useful to learn low-dimensional feature representations…

Machine Learning · Computer Science 2020-09-01 Kaiyang Li , Guangchun Luo , Yang Ye , Wei Li , Shihao Ji , Zhipeng Cai

In this paper we study the practicality and usefulness of incorporating distributed representations of graphs into models within the context of drug pair scoring. We argue that the real world growth and update cycles of drug pair scoring…

Machine Learning · Computer Science 2022-11-28 Paul Scherer , Pietro Liò , Mateja Jamnik

Adverse drug interactions are a critical concern in pharmacovigilance, as both clinical trials and spontaneous reporting systems often lack the breadth to detect complex drug interactions. This study introduces a computational framework for…

Applications · Statistics 2025-04-02 Jules Bangard , Einar Holsbø , Kristian Svendsen , Vittorio Perduca , Etienne Birmelé