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Graph based clustering is one of the major clustering methods. Most of it work in three separate steps: similarity graph construction, clustering label relaxing and label discretization with k-means. Such common practice has three…

机器学习 · 计算机科学 2019-04-26 Yudong Han , Lei Zhu , Zhiyong Cheng , Jingjing Li , Xiaobai Liu

Biomedical interaction networks have incredible potential to be useful in the prediction of biologically meaningful interactions, identification of network biomarkers of disease, and the discovery of putative drug targets. Recently, graph…

机器学习 · 计算机科学 2021-03-29 Kishan KC , Rui Li , Feng Cui , Anne Haake

Graph clustering discovers groups or communities within networks. Deep learning methods such as autoencoders (AE) extract effective clustering and downstream representations but cannot incorporate rich structural information. While Graph…

机器学习 · 计算机科学 2022-04-28 Gayan K. Kulatilleke , Marius Portmann , Shekhar S. Chandra

Dynamic graphs arise in various real-world applications, and it is often welcomed to model the dynamics directly in continuous time domain for its flexibility. This paper aims to design an easy-to-use pipeline (termed as EasyDGL which is…

机器学习 · 计算机科学 2024-08-20 Chao Chen , Haoyu Geng , Nianzu Yang , Xiaokang Yang , Junchi Yan

Graph representation plays an important role in the field of financial risk control, where the relationship among users can be constructed in a graph manner. In practical scenarios, the relationships between nodes in risk control tasks are…

机器学习 · 计算机科学 2023-03-08 Jiafu Wu , Mufeng Yao , Dong Wu , Mingmin Chi , Baokun Wang , Ruofan Wu , Xin Fu , Changhua Meng , Weiqiang Wang

Drug-drug interactions (DDI) can cause severe adverse drug reactions and pose a major challenge to medication therapy. Recently, informatics-based approaches are emerging for DDI studies. In this paper, we aim to identify key…

定量方法 · 定量生物学 2019-12-09 Jianyuan Deng , Fusheng Wang

Drug-drug interactions (DDIs) remain a major source of preventable harm, and many clinically important mechanisms are still unknown. Existing models either rely on pharmacologic knowledge graphs (KGs), which fail on unseen drugs, or on…

机器学习 · 计算机科学 2025-11-11 Franklin Lee , Tengfei Ma

Molecular property prediction is a key component of AI-driven drug discovery and molecular characterization learning. Despite recent advances, existing methods still face challenges such as limited ability to generalize, and inadequate…

机器学习 · 计算机科学 2024-09-26 Zexing Zhao , Guangsi Shi , Xiaopeng Wu , Ruohua Ren , Xiaojun Gao , Fuyi Li

Continual Learning (CL) aims to incrementally acquire new knowledge while mitigating catastrophic forgetting. Within this setting, Online Continual Learning (OCL) focuses on updating models promptly and incrementally from single or small…

机器学习 · 计算机科学 2025-12-19 Giovanni Donghi , Luca Pasa , Daniele Zambon , Cesare Alippi , Nicolò Navarin

\Graph similarity computation is an essential task in many real-world graph-related applications such as retrieving the similar drugs given a query chemical compound or finding the user's potential friends from the social network database.…

机器学习 · 计算机科学 2024-12-18 Jingjing Wang , Hongjie Zhu , Haoran Xie , Fu Lee Wang , Xiaoliang Xu , Yuxiang Wang

Recent open-vocabulary human-object interaction (OV-HOI) detection methods primarily rely on large language model (LLM) for generating auxiliary descriptions and leverage knowledge distilled from CLIP to detect unseen interaction…

计算机视觉与模式识别 · 计算机科学 2025-03-04 Xin Lin , Chong Shi , Zuopeng Yang , Haojin Tang , Zhili Zhou

Thanks to the increasing availability of drug-drug interactions (DDI) datasets and large biomedical knowledge graphs (KGs), accurate detection of adverse DDI using machine learning models becomes possible. However, it remains largely an…

机器学习 · 计算机科学 2021-05-10 Yue Yu , Kexin Huang , Chao Zhang , Lucas M. Glass , Jimeng Sun , Cao Xiao

Identifying and discovering drug-target interactions(DTIs) are vital steps in drug discovery and development. They play a crucial role in assisting scientists in finding new drugs and accelerating the drug development process. Recently,…

定量方法 · 定量生物学 2023-11-15 Wenting Ye , Chen Li , Yang Xie , Wen Zhang , Hong-Yu Zhang , Bowen Wang , Debo Cheng , Zaiwen Feng

Self-supervised learning (SSL) is a method that learns the data representation by utilizing supervision inherent in the data. This learning method is in the spotlight in the drug field, lacking annotated data due to time-consuming and…

生物大分子 · 定量生物学 2022-08-19 Kisung Moon , Sunyoung Kwon

Drug-drug interactions are preventable causes of medical injuries and often result in doctor and emergency room visits. Computational techniques can be used to predict potential drug-drug interactions. We approach the drug-drug interaction…

机器学习 · 计算机科学 2019-08-06 Guy Shtar , Lior Rokach , Bracha Shapira

In drug discovery, identifying drug-target interactions (DTIs) via experimental approaches is a tedious and expensive procedure. Computational methods efficiently predict DTIs and recommend a small part of potential interacting pairs for…

定量方法 · 定量生物学 2022-01-19 Bin Liu , Grigorios Tsoumakas

Elucidating and accurately predicting the druggability and bioactivities of molecules plays a pivotal role in drug design and discovery and remains an open challenge. Recently, graph neural networks (GNN) have made remarkable advancements…

机器学习 · 计算机科学 2022-08-31 Weimin Zhu , Yi Zhang , DuanCheng Zhao , Jianrong Xu , Ling Wang

Understanding the interaction between different drugs (drug-drug interaction or DDI) is critical for ensuring patient safety and optimizing therapeutic outcomes. Existing DDI datasets primarily focus on textual information, overlooking…

机器学习 · 计算机科学 2025-06-03 Tung-Lam Ngo , Ba-Hoang Tran , Duy-Cat Can , Trung-Hieu Do , Oliver Y. Chén , Hoang-Quynh Le

Accurate drug response prediction (DRP) is a crucial yet challenging task in precision medicine. This paper presents a novel Attention-Guided Multi-omics Integration (AGMI) approach for DRP, which first constructs a Multi-edge Graph (MeG)…

基因组学 · 定量生物学 2022-01-20 Ruiwei Feng , Yufeng Xie , Minshan Lai , Danny Z. Chen , Ji Cao , Jian Wu

Accurate cell type annotation is a crucial step in analyzing single-cell RNA sequencing (scRNA-seq) data, which provides valuable insights into cellular heterogeneity. However, due to the high dimensionality and prevalence of zero elements…

机器学习 · 计算机科学 2025-08-14 Huifa Li , Jie Fu , Xinlin Zhuang , Haolin Yang , Xinpeng Ling , Tong Cheng , Haochen xue , Imran Razzak , Zhili Chen