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Preventable adverse events as a result of medical errors present a growing concern in the healthcare system. As drug-drug interactions (DDIs) may lead to preventable adverse events, being able to extract DDIs from drug labels into a…

Computation and Language · Computer Science 2019-11-06 Tung Tran , Ramakanth Kavuluru , Halil Kilicoglu

Adverse drug-drug interactions (DDIs) remain a leading cause of morbidity and mortality. Identifying potential DDIs during the drug design process is critical for patients and society. Although several computational models have been…

Machine Learning · Computer Science 2019-11-21 Kexin Huang , Cao Xiao , Trong Nghia Hoang , Lucas M. Glass , Jimeng Sun

Drug-drug interaction (DDI) prediction is a critical task in computational biomedicine, as adverse interactions between co-administered drugs can cause severe side effects and clinical risks. A key challenge is unseen-drug generalization,…

Machine Learning · Computer Science 2026-05-15 Yerin Park , Sangseon Lee

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

The essence of the challenges cold start and sparsity in Recommender Systems (RS) is that the extant techniques, such as Collaborative Filtering (CF) and Matrix Factorization (MF), mainly rely on the user-item rating matrix, which sometimes…

Machine Learning · Computer Science 2014-05-27 Fangfang Li , Guandong Xu , Longbing Cao

Accurately predicting drug-target interactions (DTIs) is pivotal for advancing drug discovery and target validation techniques. While machine learning approaches including those that are based on Graph Neural Networks (GNN) have achieved…

Machine Learning · Computer Science 2025-09-30 Yuehua Song , Yong Gao

Predicting the novel effects of drugs based on information about approved drugs can be regarded as a recommendation system. Matrix factorization is one of the most used recommendation systems and various algorithms have been devised for it.…

Quantitative Methods · Quantitative Biology 2023-01-16 Iori Azuma , Tadahaya Mizuno , Hiroyuki Kusuhara

Accurate prediction of drug-target interaction (DTI) is essential for in silico drug design. For the purpose, we propose a novel approach for predicting DTI using a GNN that directly incorporates the 3D structure of a protein-ligand…

Machine Learning · Computer Science 2019-04-18 Jaechang Lim , Seongok Ryu , Kyubyong Park , Yo Joong Choe , Jiyeon Ham , Woo Youn Kim

One recent promising approach to the Visual Place Recognition (VPR) problem has been to fuse the place recognition estimates of multiple complementary VPR techniques using methods such as SRAL and multi-process fusion. These approaches come…

Computer Vision and Pattern Recognition · Computer Science 2023-08-24 Connor Malone , Stephen Hausler , Tobias Fischer , Michael Milford

A common problem in Phase II clinical trials is the comparison of dose response curves corresponding to different treatment groups. If the effect of the dose level is described by parametric regression models and the treatments differ in…

Statistics Theory · Mathematics 2016-03-16 Chrystel Feller , Kirsten Schorning , Holger Dette , Georgina Bermann , Björn Bornkamp

Recently, deep neural network (DNN)-based drug-target interaction (DTI) models were highlighted for their high accuracy with affordable computational costs. Yet, the models' insufficient generalization remains a challenging problem in the…

Biomolecules · Quantitative Biology 2021-12-14 Seokhyun Moon , Wonho Zhung , Soojung Yang , Jaechang Lim , Woo Youn Kim

Parallel implementation of numerical adaptive mesh refinement (AMR)strategies for solving 3D elastostatic contact mechanics problems is an essential step toward complex simulations that exceed current performance levels. This paper…

Numerical Analysis · Mathematics 2025-11-26 Alexandre Epalle , Isabelle Ramière , Guillaume Latu , Frédéric Lebon

Matrix Factorization (MF) has found numerous applications in Machine Learning and Data Mining, including collaborative filtering recommendation systems, dimensionality reduction, data visualization, and community detection. Motivated by the…

Machine Learning · Computer Science 2023-09-26 Ioannis Kordonis , Emmanouil Theodosis , George Retsinas , Petros Maragos

How to improve discriminative feature learning is central in classification. Existing works address this problem by explicitly increasing inter-class separability and intra-class similarity, whether by constructing positive and negative…

Machine Learning · Computer Science 2024-08-21 Qingsong Zhao , Yi Wang , Shuguang Dou , Chen Gong , Yin Wang , Cairong Zhao

Joint analysis of data from multiple sources has the potential to improve our understanding of the underlying structures in complex data sets. For instance, in restaurant recommendation systems, recommendations can be based on rating…

Numerical Analysis · Mathematics 2015-03-19 Evrim Acar , Tamara G. Kolda , Daniel M. Dunlavy

When patients need to take medicine, particularly taking more than one kind of drug simultaneously, they should be alarmed that there possibly exists drug-drug interaction. Interaction between drugs may have a negative impact on patients or…

Computation and Language · Computer Science 2020-08-31 Siliang Tang , Qi Zhang , Tianpeng Zheng , Mengdi Zhou , Zhan Chen , Lixing Shen , Xiang Ren , Yueting Zhuang , Shiliang Pu , Fei Wu

Learning feature interactions is crucial for click-through rate (CTR) prediction in recommender systems. In most existing deep learning models, feature interactions are either manually designed or simply enumerated. However, enumerating all…

Machine Learning · Computer Science 2020-07-06 Bin Liu , Chenxu Zhu , Guilin Li , Weinan Zhang , Jincai Lai , Ruiming Tang , Xiuqiang He , Zhenguo Li , Yong Yu

Tensor decomposition of convolutional and fully-connected layers is an effective way to reduce parameters and FLOP in neural networks. Due to memory and power consumption limitations of mobile or embedded devices, the quantization step is…

Machine Learning · Computer Science 2023-08-10 Daria Cherniuk , Stanislav Abukhovich , Anh-Huy Phan , Ivan Oseledets , Andrzej Cichocki , Julia Gusak

The integration of multi-omics data has emerged as a promising approach for gaining comprehensive insights into complex diseases such as cancer. This paper proposes a novel approach to identify cancer subtypes through the integration of…

Machine Learning · Computer Science 2023-12-06 Mark Peelen , Leila Bagheriye , Johan Kwisthout

Modeling feature interactions plays a crucial role in accurately predicting click-through rates (CTR) in advertising systems. To capture the intricate patterns of interaction, many existing models employ matrix-factorization techniques to…

Information Retrieval · Computer Science 2024-11-20 Yu Kang , Junwei Pan , Jipeng Jin , Shudong Huang , Xiaofeng Gao , Lei Xiao
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