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We propose a novel neural method to extract drug-drug interactions (DDIs) from texts using external drug molecular structure information. We encode textual drug pairs with convolutional neural networks and their molecular pairs with graph…

Computation and Language · Computer Science 2018-05-16 Masaki Asada , Makoto Miwa , Yutaka Sasaki

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

Protein-protein interaction (PPI) prediction plays a pivotal role in deciphering cellular functions and disease mechanisms. To address the limitations of traditional experimental methods and existing computational approaches in cross-modal…

Machine Learning · Computer Science 2025-04-29 Shengrui XU , Tianchi Lu , Zikun Wang , Jixiu Zhai

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

Aggregating pharmaceutical data in the drug-target interaction (DTI) domain has the potential to deliver life-saving breakthroughs. It is, however, notoriously difficult due to regulatory constraints and commercial interests. This work…

Machine Learning · Computer Science 2023-10-19 Gianluca Mittone , Filip Svoboda , Marco Aldinucci , Nicholas D. Lane , Pietro Lio

Monocular 3D object detection is a low-cost but challenging task, as it requires generating accurate 3D localization solely from a single image input. Recent developed depth-assisted methods show promising results by using explicit depth…

Computer Vision and Pattern Recognition · Computer Science 2023-07-04 Zizhang Wu , Yunzhe Wu , Jian Pu , Xianzhi Li , Xiaoquan Wang

3D multi-object tracking (MOT) and trajectory forecasting are two critical components in modern 3D perception systems. We hypothesize that it is beneficial to unify both tasks under one framework to learn a shared feature representation of…

Computer Vision and Pattern Recognition · Computer Science 2020-08-27 Xinshuo Weng , Ye Yuan , Kris Kitani

In this study, we aim to predict the plausible future action steps given an observation of the past and study the task of instructional activity anticipation. Unlike previous anticipation tasks that aim at action label prediction, our work…

Computer Vision and Pattern Recognition · Computer Science 2022-01-19 Zhengyuan Yang , Jingen Liu , Jing Huang , Xiaodong He , Tao Mei , Chenliang Xu , Jiebo Luo

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

Traditional supervised learning with deep neural networks requires a tremendous amount of labelled data to converge to a good solution. For 3D medical images, it is often impractical to build a large homogeneous annotated dataset for a…

Cross-domain recommendation (CDR) aims to leverage the correlation of users' behaviors in both the source and target domains to improve the user preference modeling in the target domain. Conventional CDR methods typically explore the…

Information Retrieval · Computer Science 2023-06-09 Haokai Ma , Ruobing Xie , Lei Meng , Xin Chen , Xu Zhang , Leyu Lin , Jie Zhou

Obtaining common representations from different modalities is important in that they are interchangeable with each other in a classification problem. For example, we can train a classifier on image features in the common representations and…

Machine Learning · Computer Science 2016-12-30 Kuniaki Saito , Yusuke Mukuta , Yoshitaka Ushiku , Tatsuya Harada

Monocular 3D object detection is a promising yet ill-posed task for autonomous vehicles due to the lack of accurate depth information. Cross-modality knowledge distillation could effectively transfer depth information from LiDAR to…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Rui Ding , Meng Yang , Nanning Zheng

Predicting whether two drugs interact (binary detection) is a substantially dif- ferent task from predicting the mechanism type of that interaction (multi-class classification). This study presents a systematic ablation study of three Graph…

Machine Learning · Computer Science 2026-05-28 Juergen Dietrich

Due to cancer's complex nature and variable response to therapy, precision oncology informed by omics sequence analysis has become the current standard of care. However, the amount of data produced for each patients makes it difficult to…

Machine Learning · Computer Science 2023-10-30 Patrick J. Lawrence , Xia Ning

Drug membrane interaction is a very significant bioprocess to consider in drug discovery. Here, we propose a novel deep learning framework coined DMInet to study drug-membrane interactions that leverages large-scale Martini coarse-grained…

Biological Physics · Physics 2022-04-07 Guang Chen

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

Predicting clinical outcomes from preclinical data is essential for identifying safe and effective drug combinations, reducing late-stage clinical failures, and accelerating the development of precision therapies. Current AI models rely on…

Domain adaptation is an important task to enable learning when labels are scarce. While most works focus only on the image modality, there are many important multi-modal datasets. In order to leverage multi-modality for domain adaptation,…

Computer Vision and Pattern Recognition · Computer Science 2022-06-23 Maximilian Jaritz , Tuan-Hung Vu , Raoul de Charette , Émilie Wirbel , Patrick Pérez

Relation-aware graph structure embedding is promising for predicting multi-relational drug-drug interactions (DDIs). Typically, most existing methods begin by constructing a multi-relational DDI graph and then learning relation-aware graph…

Machine Learning · Computer Science 2023-08-21 Mengying Jiang , Guizhong Liu , Biao Zhao , Yuanchao Su , Weiqiang Jin