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Dietary supplements are used by a large portion of the population, but information on their pharmacologic interactions is incomplete. To address this challenge, we present SUPP.AI, an application for browsing evidence of supplement-drug…

Computation and Language · Computer Science 2020-07-08 Lucy Lu Wang , Oyvind Tafjord , Arman Cohan , Sarthak Jain , Sam Skjonsberg , Carissa Schoenick , Nick Botner , Waleed Ammar

Zero-shot learning is a learning regime that recognizes unseen classes by generalizing the visual-semantic relationship learned from the seen classes. To obtain an effective ZSL model, one may resort to curating training samples from…

Computer Vision and Pattern Recognition · Computer Science 2022-09-07 Zhi Chen , Yadan Luo , Sen Wang , Jingjing Li , Zi Huang

Predicting drug-target interaction (DTI) is critical in the drug discovery process. Despite remarkable advances in recent DTI models through the integration of representations from diverse drug and target encoders, such models often…

Quantitative Methods · Quantitative Biology 2025-09-30 Zhaohan Meng , Zaiqiao Meng , Ke Yuan , Iadh Ounis

Drug combinations offer therapeutic benefits but also carry the risk of adverse drug-drug interactions (DDIs), especially under complex molecular structures. Accurate DDI event prediction requires capturing fine-grained inter-drug…

Machine Learning · Computer Science 2025-10-27 Xuan Lin , Aocheng Ding , Tengfei Ma , Hua Liang , Zhe Quan

Detecting Human-Object Interactions (HOI) in zero-shot settings, where models must handle unseen classes, poses significant challenges. Existing methods that rely on aligning visual encoders with large Vision-Language Models (VLMs) to tap…

Computer Vision and Pattern Recognition · Computer Science 2024-12-20 Qinqian Lei , Bo Wang , Robby T. Tan

Since multidrug combination is widely applied, the accurate prediction of drug-drug interaction (DDI) is becoming more and more critical. In our method, we use graph to represent drug-drug interaction: nodes represent drug; edges represent…

Machine Learning · Computer Science 2022-09-01 Haifan zhou , Wenjing Zhou , Junfeng Wu

Instance segmentation algorithms in remote sensing are typically based on conventional methods, limiting their application to seen scenarios and closed-set predictions. In this work, we propose a novel task called zero-shot remote sensing…

Computer Vision and Pattern Recognition · Computer Science 2024-12-18 Shiqi Huang , Shuting He , Bihan Wen

It is well-known that zero-shot learning (ZSL) can suffer severely from the problem of domain shift, where the true and learned data distributions for the unseen classes do not match. Although transductive ZSL (TZSL) attempts to improve…

Computer Vision and Pattern Recognition · Computer Science 2023-03-21 Zhicai Wang , Yanbin Hao , Tingting Mu , Ouxiang Li , Shuo Wang , Xiangnan He

Drug-drug interactions (DDIs) are a major cause of preventable hospitalizations and deaths. Predicting the occurrence of DDIs helps drug safety professionals allocate investigative resources and take appropriate regulatory action promptly.…

Machine Learning · Computer Science 2018-11-02 Xu Chu , Yang Lin , Jingyue Gao , Jiangtao Wang , Yasha Wang , Leye Wang

Zero-shot object detection (ZSD), the task that extends conventional detection models to detecting objects from unseen categories, has emerged as a new challenge in computer vision. Most existing approaches tackle the ZSD task with a strict…

Computer Vision and Pattern Recognition · Computer Science 2022-01-04 Caixia Yan , Xiaojun Chang , Minnan Luo , Huan Liu , Xiaoqin Zhang , Qinghua Zheng

Drug target interaction (DTI) prediction is a foundational task for in silico drug discovery, which is costly and time-consuming due to the need of experimental search over large drug compound space. Recent years have witnessed promising…

Quantitative Methods · Quantitative Biology 2020-12-10 Kexin Huang , Cao Xiao , Lucas Glass , Jimeng Sun

Zero-shot domain adaptation (ZSDA) is a domain adaptation problem in the situation that labeled samples for a target task (task of interest) are only available from the source domain at training time, but for a task different from the task…

Computer Vision and Pattern Recognition · Computer Science 2024-06-28 Yu Zhe , Jun Sakuma

Drug-target interaction (DTI) prediction, which aims at predicting whether a drug will be bounded to a target, have received wide attention recently, with the goal to automate and accelerate the costly process of drug design. Most of the…

Biomolecules · Quantitative Biology 2023-06-27 Shengming Zhang , Yizhou Sun

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

The identification of drug-target interactions (DTI) is critical for drug discovery and repositioning, as it reveals potential therapeutic uses of existing drugs, accelerating development and reducing costs. However, most existing models…

Machine Learning · Computer Science 2025-07-22 Xiang Zhao , Ruijie Li , Qiao Ning , Shikai Guo , Hui Li , Qian Ma

In silico drug-target interaction (DTI) prediction is an important and challenging problem in biomedical research with a huge potential benefit to the pharmaceutical industry and patients. Most existing methods for DTI prediction including…

Machine Learning · Computer Science 2019-08-22 Qingyuan Feng , Evgenia Dueva , Artem Cherkasov , Martin Ester

Accurate prediction of drug-target interactions (DTI) is pivotal in drug discovery. However, existing approaches often fail to capture deep intra-modal feature interactions or achieve effective cross-modal alignment, limiting predictive…

Multimedia · Computer Science 2025-10-22 Xiangyu Li , Ran Su , Liangliang Liu

Zero-shot skeleton-based action recognition aims to recognize actions of unseen categories after training on data of seen categories. The key is to build the connection between visual and semantic space from seen to unseen classes. Previous…

Computer Vision and Pattern Recognition · Computer Science 2023-10-31 Yujie Zhou , Wenwen Qiang , Anyi Rao , Ning Lin , Bing Su , Jiaqi Wang

The role of Artificial Intelligence (AI) is growing in every stage of drug development. Nevertheless, a major challenge in drug discovery AI remains: Drug pharmacokinetic (PK) and Drug-Target Interaction (DTI) datasets collected in…

Quantitative Methods · Quantitative Biology 2025-10-27 Bing Hu , Jong-Hoon Park , Helen Chen , Young-Rae Cho , Anita Layton

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
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