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With the recent success of representation learning methods, which includes deep learning as a special case, there has been considerable interest in developing representation learning techniques that can incorporate known physical…

Machine Learning · Computer Science 2021-09-10 Harsha Vardhan Tetali , Joel B. Harley , Benjamin D. Haeffele

In clinical treatment, identifying potential adverse reactions of drugs can help assist doctors in making medication decisions. In response to the problems in previous studies that features are high-dimensional and sparse, independent…

Quantitative Methods · Quantitative Biology 2024-07-30 Yufeng Li , Wenchao Zhao , Bo Dang , Xu Yan , Weimin Wang , Min Gao , Mingxuan Xiao

Hyperspectral unmixing (HU) is a critical yet challenging task in remote sensing. However, existing nonnegative matrix factorization (NMF) methods with graph learning mostly focus on first-order or second-order nearest neighbor…

Computer Vision and Pattern Recognition · Computer Science 2025-09-26 Hui Chen , Liangyu Liu , Xianchao Xiu , Wanquan Liu

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

Factorization machines (FMs) are machine learning predictive models based on second-order feature interactions and FMs with sparse regularization are called sparse FMs. Such regularizations enable feature selection, which selects the most…

Machine Learning · Statistics 2021-04-02 Kyohei Atarashi , Satoshi Oyama , Masahito Kurihara

The density matrix renormalization group (DMRG) method has already proved itself as a very efficient and accurate computational method, which can treat large active spaces and capture the major part of strong correlation. Its application on…

Chemical Physics · Physics 2022-10-31 Pavel Beran , Katarzyna Pernal , Fabijan Pavosevic , Libor Veis

Drug-target interaction (DTI) prediction is a challenging, albeit essential task in drug repurposing. Learning on graph models have drawn special attention as they can significantly reduce drug repurposing costs and time commitment.…

Multi-attributed graph matching is a problem of finding correspondences between two sets of data while considering their complex properties described in multiple attributes. However, the information of multiple attributes is likely to be…

Computer Vision and Pattern Recognition · Computer Science 2017-04-25 Han-Mu Park , Kuk-Jin Yoon

Implicit regularization is an important way to interpret neural networks. Recent theory starts to explain implicit regularization with the model of deep matrix factorization (DMF) and analyze the trajectory of discrete gradient dynamics in…

Machine Learning · Computer Science 2023-08-14 Jian Cao , Chen Qian , Yihui Huang , Dicheng Chen , Yuncheng Gao , Jiyang Dong , Di Guo , Xiaobo Qu

Drug-Drug Interactions (DDIs) significantly influence therapeutic efficacy and patient safety. As experimental discovery is resource-intensive and time-consuming, efficient computational methodologies have become essential. The predominant…

Machine Learning · Computer Science 2026-02-03 Xinmo Jin , Bowen Fan , Xunkai Li , Henan Sun , YuXin Zeng , Zekai Chen , Yuxuan Sun , Jia Li , Qiangqiang Dai , Hongchao Qin , Rong-Hua Li , Guoren Wang

Matrix Factorization is a popular non-convex optimization problem, for which alternating minimization schemes are mostly used. They usually suffer from the major drawback that the solution is biased towards one of the optimization…

Optimization and Control · Mathematics 2019-12-09 Mahesh Chandra Mukkamala , Peter Ochs

Multiresolution Matrix Factorization (MMF) is unusual amongst fast matrix factorization algorithms in that it does not make a low rank assumption. This makes MMF especially well suited to modeling certain types of graphs with complex…

Machine Learning · Computer Science 2021-11-04 Truong Son Hy , Risi Kondor

We develop two new algorithms, called, FedDR and asyncFedDR, for solving a fundamental nonconvex composite optimization problem in federated learning. Our algorithms rely on a novel combination between a nonconvex Douglas-Rachford splitting…

Machine Learning · Statistics 2021-10-29 Quoc Tran-Dinh , Nhan H. Pham , Dzung T. Phan , Lam M. Nguyen

In this paper, the task-related fMRI problem is treated in its matrix factorization formulation, focused on the Dictionary Learning (DL) approach. The new method allows the incorporation of a priori knowledge associated both with the…

Machine Learning · Statistics 2019-08-20 Manuel Morante , Yannis Kopsinis , Sergios Theodoridis , Athanassios Protopapas

Nonnegative Matrix Factorization (NMF), first proposed in 1994 for data analysis, has received successively much attention in a great variety of contexts such as data mining, text clustering, computer vision, bioinformatics, etc. In this…

Numerical Analysis · Mathematics 2019-03-05 Paola Favati , Grazia Lotti , Ornella Menchi , Francesco Romani

Drug-target interaction (DTI) prediction plays a very important role in drug development and drug discovery. Biochemical experiments or \textit{in vitro} methods are very expensive, laborious and time-consuming. Therefore, \textit{in…

Machine Learning · Computer Science 2018-05-04 Ratha Pech , Dong Hao , Yan-Li Lee , Maryna Po , Tao Zhou

Matrix factorization is a common machine learning technique for recommender systems. Despite its high prediction accuracy, the Bayesian Probabilistic Matrix Factorization algorithm (BPMF) has not been widely used on large scale data because…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-05-12 Tom Vander Aa , Imen Chakroun , Tom Haber

Matrix factorization is a popular approach for large-scale matrix completion. The optimization formulation based on matrix factorization can be solved very efficiently by standard algorithms in practice. However, due to the non-convexity…

Machine Learning · Computer Science 2016-11-18 Ruoyu Sun , Zhi-Quan Luo

Drug target interaction (DTI) prediction is a cornerstone of computational drug discovery, enabling rational design, repurposing, and mechanistic insights. While deep learning has advanced DTI modeling, existing approaches primarily rely on…

Machine Learning · Computer Science 2025-11-05 Feng Jiang , Amina Mollaysa , Hehuan Ma , Tommaso Mansi , Junzhou Huang , Mangal Prakash , Rui Liao

Subgraph-based methods have proven to be effective and interpretable in predicting drug-drug interactions (DDIs), which are essential for medical practice and drug development. Subgraph selection and encoding are critical stages in these…

Machine Learning · Computer Science 2024-11-05 Haotong Du , Quanming Yao , Juzheng Zhang , Yang Liu , Zhen Wang
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