HPTRMF: Collaborative Matrix Factorization-Based Prediction Method for LncRNA-Disease Associations Using High-Order Perturbation and Flexible Trifactor Regularization.

IF 5.6 2区 化学 Q1 CHEMISTRY, MEDICINAL Journal of Chemical Information and Modeling Pub Date : 2024-12-23 Epub Date: 2024-07-26 DOI:10.1021/acs.jcim.4c01070
Guobo Xie, Dayin Li, Zhiyi Lin, Guosheng Gu, Weijun Li, Ruibin Chen, Zhenguo Liu
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Abstract

Existing matrix factorization methods face challenges, including the cold start problem and global nonlinear data loss during similarity learning, particularly in predicting associations between long noncoding RNAs (LncRNAs) and diseases. To overcome these issues, we introduce HPTRMF, a matrix factorization approach incorporating high-order perturbation and flexible trifactor regularization. HPTRMF constructs a high-order correlation matrix utilizing the known association matrix, leveraging high-order perturbation to effectively address the cold start problem caused by data sparsity. Additionally, HPTRMF incorporates a flexible trifactor regularization term to capture similarity information on LncRNAs and diseases, enabling the effective handling of global nonlinear data loss by capturing such data in the similarity matrix. Experimental results demonstrate the superiority of HPTRMF over nine state-of-the-art algorithms in Leave-One-Out Cross-Validation (LOOCV) and Five-Fold Cross-Validation (5-Fold CV) on three data sets.HPTRMF and data sets are available in https://github.com/Llvvvv/HPTRMF.

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HPTRMF:基于协作矩阵因式分解的 LncRNA-疾病关联预测方法,使用高阶扰动和灵活的三因子正则化。
现有的矩阵因式分解方法面临着各种挑战,包括冷启动问题和相似性学习过程中的全局非线性数据丢失,尤其是在预测长非编码 RNA(LncRNA)与疾病之间的关联时。为了克服这些问题,我们引入了 HPTRMF,这是一种结合了高阶扰动和灵活的三因素正则化的矩阵因式分解方法。HPTRMF 利用已知关联矩阵构建高阶关联矩阵,利用高阶扰动有效解决了数据稀疏造成的冷启动问题。此外,HPTRMF 还加入了灵活的三因子正则化项,以捕捉 LncRNA 和疾病的相似性信息,通过在相似性矩阵中捕捉此类数据,有效处理全局非线性数据丢失问题。实验结果表明,在三个数据集的留空交叉验证(LOOCV)和五倍交叉验证(5-Fold CV)中,HPTRMF优于九种最先进的算法。HPTRMF和数据集可在https://github.com/Llvvvv/HPTRMF。
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来源期刊
CiteScore
9.80
自引率
10.70%
发文量
529
审稿时长
1.4 months
期刊介绍: The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery. Astute chemists, computer scientists, and information specialists look to this monthly’s insightful research studies, programming innovations, and software reviews to keep current with advances in this integral, multidisciplinary field. As a subscriber you’ll stay abreast of database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and physical data, molecular modeling, graphics and natural language interfaces, bibliometric and citation analysis, and synthesis design and reactions databases.
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