Drug-disease associations prediction via Multiple Kernel-based Dual Graph Regularized Least Squares

2021 ◽  
pp. 107811
Author(s):  
Hongpeng Yang ◽  
Yijie Ding ◽  
Jijun Tang ◽  
Fei Guo
Keyword(s):  
Least Squares ◽  
Dual Graph ◽  
Regularized Least Squares ◽  
Multiple Kernel ◽  
Disease Associations

scholarly journals MDAKRLS: Predicting human microbe-disease association based on Kronecker regularized least squares and similarities

2021 ◽  
Vol 19 (1) ◽  
Author(s):  
Da Xu ◽  
Hanxiao Xu ◽  
Yusen Zhang ◽  
Mingyi Wang ◽  
Wei Chen ◽  
...  
Keyword(s):  
Least Squares ◽  
Cross Validation ◽  
Computational Method ◽  
Human Diseases ◽  
Regularized Least Squares ◽  
Comparison Results ◽  
Pathological Mechanism ◽  
Disease Associations ◽  
Inflammatory Bowel ◽  
Leave One Out

Abstract Background Microbes are closely related to human health and diseases. Identification of disease-related microbes is of great significance for revealing the pathological mechanism of human diseases and understanding the interaction mechanisms between microbes and humans, which is also useful for the prevention, diagnosis and treatment of human diseases. Considering the known disease-related microbes are still insufficient, it is necessary to develop effective computational methods and reduce the time and cost of biological experiments. Methods In this work, we developed a novel computational method called MDAKRLS to discover potential microbe-disease associations (MDAs) based on the Kronecker regularized least squares. Specifically, we introduced the Hamming interaction profile similarity to measure the similarities of microbes and diseases besides Gaussian interaction profile kernel similarity. In addition, we introduced the Kronecker product to construct two kinds of Kronecker similarities between microbe-disease pairs. Then, we designed the Kronecker regularized least squares with different Kronecker similarities to obtain prediction scores, respectively, and calculated the final prediction scores by integrating the contributions of different similarities. Results The AUCs value of global leave-one-out cross-validation and 5-fold cross-validation achieved by MDAKRLS were 0.9327 and 0.9023 ± 0.0015, which were significantly higher than five state-of-the-art methods used for comparison. Comparison results demonstrate that MDAKRLS has faster computing speed under two kinds of frameworks. In addition, case studies of inflammatory bowel disease (IBD) and asthma further showed 19 (IBD), 19 (asthma) of the top 20 prediction disease-related microbes could be verified by previously published biological or medical literature. Conclusions All the evaluation results adequately demonstrated that MDAKRLS has an effective and reliable prediction performance. It may be a useful tool to seek disease-related new microbes and help biomedical researchers to carry out follow-up studies.

scholarly journals Identifying potential association on gene-disease network via dual hypergraph regularized least squares

BMC Genomics ◽  
2021 ◽  
Vol 22 (1) ◽  
Author(s):  
Hongpeng Yang ◽  
Yijie Ding ◽  
Jijun Tang ◽  
Fei Guo
Keyword(s):  
Least Squares ◽  
Research Work ◽  
Complex Diseases ◽  
Higher Order ◽  
Biological Data ◽  
Biological Information ◽  
Bipartite Network ◽  
Regularized Least Squares ◽  
Verification Methods ◽  
Disease Associations

Abstract Background Identifying potential associations between genes and diseases via biomedical experiments must be the time-consuming and expensive research works. The computational technologies based on machine learning models have been widely utilized to explore genetic information related to complex diseases. Importantly, the gene-disease association detection can be defined as the link prediction problem in bipartite network. However, many existing methods do not utilize multiple sources of biological information; Additionally, they do not extract higher-order relationships among genes and diseases. Results In this study, we propose a novel method called Dual Hypergraph Regularized Least Squares (DHRLS) with Centered Kernel Alignment-based Multiple Kernel Learning (CKA-MKL), in order to detect all potential gene-disease associations. First, we construct multiple kernels based on various biological data sources in gene and disease spaces respectively. After that, we use CAK-MKL to obtain the optimal kernels in the two spaces respectively. To specific, hypergraph can be employed to establish higher-order relationships. Finally, our DHRLS model is solved by the Alternating Least squares algorithm (ALSA), for predicting gene-disease associations. Conclusion Comparing with many outstanding prediction tools, DHRLS achieves best performance on gene-disease associations network under two types of cross validation. To verify robustness, our proposed approach has excellent prediction performance on six real-world networks. Our research work can effectively discover potential disease-associated genes and provide guidance for the follow-up verification methods of complex diseases.

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