scholarly journals A novel computational model for predicting potential LncRNA-disease associations based on both direct and indirect features of LncRNA-disease pairs

2020 ◽  
Vol 21 (1) ◽  
Author(s):  
Yubin Xiao ◽  
Zheng Xiao ◽  
Xiang Feng ◽  
Zhiping Chen ◽  
Linai Kuang ◽  
...  
Keyword(s):  
Computational Model ◽  
Cross Validation ◽  
State Of The Art ◽  
Prediction Methods ◽  
Good Prediction ◽  
Average Case ◽  
Comparison Results ◽  
Disease Associations ◽  
Fold Cross Validation

Abstract Background Accumulating evidence has demonstrated that long non-coding RNAs (lncRNAs) are closely associated with human diseases, and it is useful for the diagnosis and treatment of diseases to get the relationships between lncRNAs and diseases. Due to the high costs and time complexity of traditional bio-experiments, in recent years, more and more computational methods have been proposed by researchers to infer potential lncRNA-disease associations. However, there exist all kinds of limitations in these state-of-the-art prediction methods as well. Results In this manuscript, a novel computational model named FVTLDA is proposed to infer potential lncRNA-disease associations. In FVTLDA, its major novelty lies in the integration of direct and indirect features related to lncRNA-disease associations such as the feature vectors of lncRNA-disease pairs and their corresponding association probability fractions, which guarantees that FVTLDA can be utilized to predict diseases without known related-lncRNAs and lncRNAs without known related-diseases. Moreover, FVTLDA neither relies solely on known lncRNA-disease nor requires any negative samples, which guarantee that it can infer potential lncRNA-disease associations more equitably and effectively than traditional state-of-the-art prediction methods. Additionally, to avoid the limitations of single model prediction techniques, we combine FVTLDA with the Multiple Linear Regression (MLR) and the Artificial Neural Network (ANN) for data analysis respectively. Simulation experiment results show that FVTLDA with MLR can achieve reliable AUCs of 0.8909, 0.8936 and 0.8970 in 5-Fold Cross Validation (fivefold CV), 10-Fold Cross Validation (tenfold CV) and Leave-One-Out Cross Validation (LOOCV), separately, while FVTLDA with ANN can achieve reliable AUCs of 0.8766, 0.8830 and 0.8807 in fivefold CV, tenfold CV, and LOOCV respectively. Furthermore, in case studies of gastric cancer, leukemia and lung cancer, experiment results show that there are 8, 8 and 8 out of top 10 candidate lncRNAs predicted by FVTLDA with MLR, and 8, 7 and 8 out of top 10 candidate lncRNAs predicted by FVTLDA with ANN, having been verified by recent literature. Comparing with the representative prediction model of KATZLDA, comparison results illustrate that FVTLDA with MLR and FVTLDA with ANN can achieve the average case study contrast scores of 0.8429 and 0.8515 respectively, which are both notably higher than the average case study contrast score of 0.6375 achieved by KATZLDA. Conclusion The simulation results show that FVTLDA has good prediction performance, which is a good supplement to future bioinformatics research.

scholarly journals A Novel Computational Model for Predicting Potential LncRNA-Disease Associations based on Both Direct and Indirect Features of LncRNA-Disease Pairs

2020 ◽  
Author(s):  
Yubin Xiao ◽  
Zheng Xiao ◽  
Xiang Feng ◽  
Zhiping Chen ◽  
Linai Kuang ◽  
...  
Keyword(s):  
Computational Model ◽  
Cross Validation ◽  
State Of The Art ◽  
Prediction Methods ◽  
Good Prediction ◽  
Average Case ◽  
Comparison Results ◽  
Disease Associations ◽  
Fold Cross Validation

Abstract Background: Accumulating evidence has demonstrated that long non-coding RNAs (lncRNAs) are closely associated with human diseases, and it is useful for the diagnosis and treatment of diseases to get the relationships between lncRNAs and diseases. Due to the high costs and time complexity of traditional bio-experiments, in recent years, more and more computational methods have been proposed by researchers to infer potential lncRNA-disease associations. However, there exist all kinds of limitations in these state-of-the-art prediction methods as well.Results: In this manuscript, a novel computational model named FVTLDA is proposed to infer potential lncRNA-disease associations. In FVTLDA, its major novelty lies in the integration of direct and indirect features related to lncRNA-disease associations such as the feature vectors of lncRNA-disease pairs and their corresponding association probability fractions, which guarantees that FVTLDA can be utilized to predict diseases without known related-lncRNAs and lncRNAs without known related-diseases. Moreover, FVTLDA neither relies solely on known lncRNA-disease nor requires any negative samples, which guarantee that it can infer potential lncRNA-disease associations more equitably and effectively than traditional state-of-the-art prediction methods. Additionally, to avoid the limitations of single model prediction techniques, we combine FVTLDA with the Multiple Linear Regression (MLR) and the Artificial Neural Network (ANN) for data analysis respectively. Simulation experiment results show that FVTLDA with MLR can achieve reliable AUCs of 0.8909, 0.8936 and 0.8970 in 5-Fold Cross Validation (5-fold CV), 10-Fold Cross Validation (10-fold CV) and Leave-One-Out Cross Validation (LOOCV), separately, while FVTLDA with ANN can achieve reliable AUCs of 0.8766, 0.8830 and 0.8807 in 5-fold CV, 10-fold CV, and LOOCV respectively. Furthermore, in case studies of gastric cancer, leukemia and lung cancer, experiment results show that there are 8, 8 and 8 out of top 10 candidate lncRNAs predicted by FVTLDA with MLR, and 8, 7 and 8 out of top 10 candidate lncRNAs predicted by FVTLDA with ANN, having been verified by recent literature. Comparing with the representative prediction model of KATZLDA, comparison results illustrate that FVTLDA with MLR and FVTLDA with ANN can achieve the average case study contrast scores of 0.8429 and 0.8515 respectively, which are both notably higher than the average case study contrast score of 0.6375 achieved by KATZLDA.Conclusion: The simulation results show that FVTLDA has good prediction performance, which is a good supplement to future bioinformatics research.

scholarly journals A Novel Computational Model for Predicting Potential LncRNA-Disease Associations based on Both Direct and Indirect Features of LncRNA-Disease Pairs

2020 ◽  
Author(s):  
Yubin Xiao ◽  
Zheng Xiao ◽  
Xiang Feng ◽  
Zhiping Chen ◽  
Linai Kuang ◽  
...  
Keyword(s):  
Computational Model ◽  
Cross Validation ◽  
State Of The Art ◽  
Prediction Methods ◽  
Good Prediction ◽  
Average Case ◽  
Comparison Results ◽  
Disease Associations ◽  
Fold Cross Validation

Abstract Background: Accumulating evidence has demonstrated that long non-coding RNAs (lncRNAs) are closely associated with human diseases, and it is helpful for the diagnosis and treatment of diseases to get the relationships between lncRNAs and diseases. Due to the high costs and time complexity of traditional bio-experiments, in recent years, more and more computational methods have been proposed by researchers to infer potential lncRNA-disease associations. However, there exist all kinds of limitations in these state-of-the-art prediction methods as well.Results: In this manuscript, a novel computational model named FVTLDA is proposed to infer potential lncRNA-disease associations. In FVTLDA, its major novelty lies in the integration of direct and indirect features related to lncRNA-disease associations such as the feature vectors of lncRNA-disease pairs and their corresponding association probability fractions, which guarantees that FVTLDA can be utilized to predict diseases without known related-lncRNAs and lncRNAs without known related-diseases. Moreover, FVTLDA neither relies solely on known lncRNA-disease nor requires any negative samples, which guarantee that it can infer potential lncRNA-disease associations more equitably and effectively than traditional state-of-the-art prediction methods. Additionally, to avoid the limitations of single model prediction techniques, we combine FVTLDA with the Multiple Linear Regression (MLR) and the Artificial Neural Network (ANN) for data analysis respectively. Simulation experiment results show that FVTLDA with MLR can achieve reliable AUCs of 0.8909, 0.8936 and 0.8970 in 5-Fold Cross Validation (5-fold CV), 10-Fold Cross Validation (10-fold CV) and Leave-One-Out Cross Validation (LOOCV), separately, while FVTLDA with ANN can achieve reliable AUCs of 0.8766, 0.8830 and 0.8807 in 5-fold CV, 10-fold CV, and LOOCV respectively. Furthermore, in case studies of gastric cancer, leukemia and lung cancer, experiment results show that there are 8, 8 and 8 out of top 10 candidate lncRNAs predicted by FVTLDA with MLR, and 8, 7 and 8 out of top 10 candidate lncRNAs predicted by FVTLDA with ANN, having been verified by recent literature. Moreover, comparing with the representative prediction model of KATZLDA, comparison results illustrate that FVTLDA with MLR and FVTLDA with ANN can achieve the average case study contrast scores of 0.8429 and 0.8515 respectively, which are both notably higher than the average case study contrast score of 0.6375 achieved by KATZLDA.Conclusion: The simulation results show that FVTLDA has good prediction performance, which is a good supplement to future bioinformatics research.

scholarly journals A Novel Computational Model for Predicting Potential LncRNA-Disease Associations based on Both Direct and Indirect Features of LncRNA-Disease Pairs

2019 ◽  
Author(s):  
Yubin Xiao ◽  
Zheng Xiao ◽  
Xiang Feng ◽  
Zhiping Chen ◽  
Linai Kuang ◽  
...  
Keyword(s):  
Computational Model ◽  
Cross Validation ◽  
Single Model ◽  
Average Case ◽  
Disease Associations ◽  
Artificial Neural Network Ann ◽  
Prediction Techniques ◽  
Leave One Out ◽  
Fold Cross Validation

Abstract BackgroundAccumulating evidence has demonstrated that lncRNAs are closely associated with human diseases, and it is helpful for the diagnosis and treatment of diseases to get the relationships between lncRNAs and diseases. Due to the high costs and time complexity of traditional bio-experiments, in recent years, more and more computational methods have been proposed by researchers to infer potential lncRNA-disease associations. However, there exist all kinds of limitations in these prediction methods as well. ResultsIn this manuscript, a novel computational model named FVTLDA is proposed to infer potential lncRNA-disease associations. In FVTLDA, its major novelty lies in the integration of direct and indirect features related to lncRNA-disease associations such as the feature vectors of lncRNA-disease pairs and their corresponding association probability fractions, which guarantees that FVTLDA can be utilized to predict diseases without known related-lncRNAs and lncRNAs without known related-diseases. Moreover, FVTLDA neither relies solely on known lncRNA-disease nor requires any negative samples, which guarantee that it can infer potential lncRNA-disease associations more equitably and effectively than traditional methods. Additionally, to avoid the limitations of single model prediction techniques, we combine FVTLDA with the Multiple Linear Regression (MLR) and the Artificial Neural Network (ANN) for data analysis respectively. Simulation experiment results show that FVTLDA with MLR can achieve reliable AUCs of 0.8909, 0.8936 and 0.8970 in 5-Fold Cross Validation, 10-Fold Cross Validation and Leave-One-Out Cross Validation, separately, while FVTLDA with ANN can achieve reliable AUCs of 0.8766, 0.8830 and 0.8807 in 5-fold CV, 10-fold CV, and LOOCV respectively. Furthermore, in case studies of gastric cancer, leukemia and lung cancer, experiment results show that there are 8, 8 and 8 out of top 10 candidate lncRNAs predicted by FVTLDA with MLR, and 8, 7 and 8 out of top 10 candidate lncRNAs predicted by FVTLDA with ANN, having been verified by recent literature. Moreover, comparing with the representative prediction model of KATZLDA, results illustrate that FVTLDA with MLR and FVTLDA with ANN can achieve the average case study contrast scores of 0.8429 and 0.8515 respectively, which are both higher than the average case study contrast score of 0.6375 achieved by KATZLDA.

scholarly journals LOMDA: Linear optimization for miRNA-disease association prediction

2019 ◽  
Author(s):  
Yan-Li Lee ◽  
Ratha Pech ◽  
Maryna Po ◽  
Dong Hao ◽  
Tao Zhou
Keyword(s):  
Cross Validation ◽  
Linear Optimization ◽  
Optimization Technique ◽  
Auxiliary Information ◽  
Prediction Performance ◽  
First Case ◽  
Disease Associations ◽  
Similarity Information ◽  
Fold Cross Validation

AbstractMicroRNAs (miRNAs) have been playing a crucial role in many important biological processes e.g., pathogenesis of diseases. Currently, the validated associations between miRNAs and diseases are insufficient comparing to the hidden associations. Testing all these hidden associations by biological experiments is expensive, laborious, and time consuming. Therefore, computationally inferring hidden associations from biological datasets for further laboratory experiments has attracted increasing interests from different communities ranging from biological to computational science. In this work, we propose an effective and efficient method to predict associations between miRNAs and diseases, namely linear optimization (LOMDA). The proposed method uses the heterogenous matrix incorporating of miRNA functional similarity information, disease similarity information and known miRNA-disease associations. Compared with the other methods, LOMDA performs best in terms of AUC (0.970), precision (0.566), and accuracy (0.971) in average over 15 diseases in local 5-fold cross-validation. Moreover, LOMDA has also been applied to two types of case studies. In the first case study, 30 predictions from breast neoplasms, 24 from colon neoplasms, and 26 from kidney neoplasms among top 30 predicted miRNAs are confirmed. In the second case study, for new diseases without any known associations, top 30 predictions from hepatocellular carcinoma and 29 from lung neoplasms among top 30 predicted miRNAs are confirmed.Author summaryIdentifying associations between miRNAs and diseases is significant in investigation of pathogenesis, diagnosis, treatment and preventions of related diseases. Employing computational methods to predict the hidden associations based on known associations and focus on those predicted associations can sharply reduce the experimental costs. We developed a computational method LOMDA based on the linear optimization technique to predict the hidden associations. In addition to the observed associations, LOMDA also can employ the auxiliary information (diseases and miRNAs similarity information) flexibly and effectively. Numerical experiments on global 5-fold cross validation show that the use of the auxiliary information can greatly improve the prediction performance. Meanwhile, the result on local 5-fold cross validation shows that LOMDA performs best among the seven related methods. We further test the prediction performance of LOMDA for two types of diseases based on HDMMv2.0 (2014), including (i) diseases with all the known associations, and (ii) new diseases without known associations. Three independent or updated databases (dbDEMC, 2010; miR2Disease, 2009; HDMMv3.2, 2019) are introduced to evaluate the prediction results. As a result, most miRNAs for target diseases are confirmed by at least one of the three databases. So, we believe that LOMDA can guide experiments to identify the hidden miRNA-disease associations.

A Novel Approach Based on Point Cut Set to Predict Associations of Diseases and LncRNAs

2019 ◽  
Vol 14 (4) ◽  
pp. 333-343 ◽  
Author(s):  
Linai Kuang ◽  
Haochen Zhao ◽  
Lei Wang ◽  
Zhanwei Xuan ◽  
Tingrui Pei
Keyword(s):  
Cross Validation ◽  
State Of The Art ◽  
Interaction Network ◽  
Research Field ◽  
Computational Method ◽  
Difference Matrix ◽  
Art Methods ◽  
Disease Associations ◽  
Cut Set ◽  
Fold Cross Validation

Background: In recent years, more evidence have progressively indicated that Long non-coding RNAs (lncRNAs) play vital roles in wide-ranging human diseases, which can serve as potential biomarkers and drug targets. Comparing with vast lncRNAs being found, the relationships between lncRNAs and diseases remain largely unknown. Objective: The prediction of novel and potential associations between lncRNAs and diseases would contribute to dissect the complex mechanisms of disease pathogenesis. associations while known disease-lncRNA associations are required only. Method: In this paper, a new computational method based on Point Cut Set is proposed to predict LncRNA-Disease Associations (PCSLDA) based on known lncRNA-disease associations. Compared with the existing state-of-the-art methods, the major novelty of PCSLDA lies in the incorporation of distance difference matrix and point cut set to set the distance correlation coefficient of nodes in the lncRNA-disease interaction network. Hence, PCSLDA can be applied to forecast potential lncRNAdisease associations while known disease-lncRNA associations are required only. Results: Simulation results show that PCSLDA can significantly outperform previous state-of-the-art methods with reliable AUC of 0.8902 in the leave-one-out cross-validation and AUCs of 0.7634 and 0.8317 in 5-fold cross-validation and 10-fold cross-validation respectively. And additionally, 70% of top 10 predicted cancer-lncRNA associations can be confirmed. Conclusion: It is anticipated that our proposed model can be a great addition to the biomedical research field.

scholarly journals Predicting miRNA-Disease Associations Based on Heterogeneous Graph Attention Networks

2021 ◽  
Vol 12 ◽  
Author(s):  
Cunmei Ji ◽  
Yutian Wang ◽  
Jiancheng Ni ◽  
Chunhou Zheng ◽  
Yansen Su
Keyword(s):  
Cross Validation ◽  
Kidney Neoplasms ◽  
State Of The Art ◽  
Underlying Mechanism ◽  
Prediction Performance ◽  
Human Diseases ◽  
Attention Networks ◽  
Disease Associations ◽  
Fully Connected ◽  
Fold Cross Validation

In recent years, more and more evidence has shown that microRNAs (miRNAs) play an important role in the regulation of post-transcriptional gene expression, and are closely related to human diseases. Many studies have also revealed that miRNAs can be served as promising biomarkers for the potential diagnosis and treatment of human diseases. The interactions between miRNA and human disease have rarely been demonstrated, and the underlying mechanism of miRNA is not clear. Therefore, computational approaches has attracted the attention of researchers, which can not only save time and money, but also improve the efficiency and accuracy of biological experiments. In this work, we proposed a Heterogeneous Graph Attention Networks (GAT) based method for miRNA-disease associations prediction, named HGATMDA. We constructed a heterogeneous graph for miRNAs and diseases, introduced weighted DeepWalk and GAT methods to extract features of miRNAs and diseases from the graph. Moreover, a fully-connected neural networks is used to predict correlation scores between miRNA-disease pairs. Experimental results under five-fold cross validation (five-fold CV) showed that HGATMDA achieved better prediction performance than other state-of-the-art methods. In addition, we performed three case studies on breast neoplasms, lung neoplasms and kidney neoplasms. The results showed that for the three diseases mentioned above, 50 out of top 50 candidates were confirmed by the validation datasets. Therefore, HGATMDA is suitable as an effective tool to identity potential diseases-related miRNAs.

MDAPlatform: a Component-based Platform for Constructing and Assessing miRNA-disease association Prediction Methods

2021 ◽  
Vol 16 ◽  
Author(s):  
Yayan Zhang ◽  
Guihua Duan ◽  
Cheng Yan ◽  
Haolun Yi ◽  
Fang-Xiang Wu ◽  
...  
Keyword(s):  
Computational Models ◽  
Critical Role ◽  
Prediction Method ◽  
Disease Association ◽  
Prediction Methods ◽  
Comparison Results ◽  
Disease Associations ◽  
Pros And Cons ◽  
Clinical Drugs ◽  
Validation Experiments

Background: Increasing evidence has indicated that miRNA-disease association prediction plays a critical role in the study of clinical drugs. Researchers have proposed many computational models for miRNA-disease prediction. However, there is no unified platform to compare and analyze the pros and cons or share the code and data of these models. Objective: In this study, we develop an easy-to-use platform (MDAPlatform) to construct and assess miRNA-disease association prediction method. Methods: MDAPlatform integrates the relevant data of miRNA, disease and miRNA-disease associations that are used in previous miRNA-disease association prediction studies. Based on the componentized model, it develops differet components of previous computational methods. Results: Users can conduct cross validation experiments and compare their methods with other methods, and the visualized comparison results are also provided. Conclusion: Based on the componentized model, MDAPlatform provides easy-to-operate interfaces to construct the miRNA-disease association method, which is beneficial to develop new miRNA-disease association prediction methods in the future.

scholarly journals Soil Mapping Based on the Integration of the Similarity-Based Approach and Random Forests

Land ◽  
2020 ◽  
Vol 9 (6) ◽  
pp. 174
Author(s):  
Desheng Wang ◽  
A-Xing Zhu
Keyword(s):  
Random Forests ◽  
Cross Validation ◽  
Soil Mapping ◽  
High Quality ◽  
Integrated Method ◽  
Average Accuracy ◽  
Soil Information ◽  
Fold Cross Validation

Digital soil mapping (DSM) is currently the primary framework for predicting the spatial variation of soil information (soil type or soil properties). Random forests and similarity-based methods have been used widely in DSM. However, the accuracy of the similarity-based approach is limited, and the performance of random forests is affected by the quality of the feature set. The objective of this study was to present a method for soil mapping by integrating the similarity-based approach and the random forests method. The Heshan area (Heilongjiang province, China) was selected as the case study for mapping soil subgroups. The results of the regular validation samples showed that the overall accuracy of the integrated method (71.79%) is higher than that of a similarity-based approach (58.97%) and random forests (66.67%). The results of the 5-fold cross-validation showed that the overall accuracy of the integrated method, similarity-based approach, and random forests range from 55% to 72.73%, 43.48% to 69.57%, and 54.17% to 70.83%, with an average accuracy of 66.61%, 57.39%, and 59.62%, respectively. These results suggest that the proposed method can produce a high-quality covariate set and achieve a better performance than either the random forests or similarity-based approach alone.

Global observation-based climatology of precipitation occurrence and peak intensity

2020 ◽  
Author(s):  
Hylke Beck ◽  
Seth Westra ◽  
Eric Wood
Keyword(s):  
Land Surface ◽  
Regression Models ◽  
Cross Validation ◽  
Climate Models ◽  
Daily Precipitation ◽  
State Of The Art ◽  
Coefficient Of Determination ◽  
Peak Intensity ◽  
Uncertainty Estimates ◽  
Fold Cross Validation

<p>We introduce a unique set of global observation-based climatologies of daily precipitation (<em>P</em>) occurrence (related to the lower tail of the <em>P</em> distribution) and peak intensity (related to the upper tail of the <em>P</em> distribution). The climatologies were produced using Random Forest (RF) regression models trained with an unprecedented collection of daily <em>P</em> observations from 93,138 stations worldwide. Five-fold cross-validation was used to evaluate the generalizability of the approach and to quantify uncertainty globally. The RF models were found to provide highly satisfactory performance, yielding cross-validation coefficient of determination (<em>R</em><sup>2</sup>) values from 0.74 for the 15-year return-period daily <em>P</em> intensity to 0.86 for the >0.5 mm d<sup>-1</sup> daily <em>P</em> occurrence. The performance of the RF models was consistently superior to that of state-of-the-art reanalysis (ERA5) and satellite (IMERG) products. The highest <em>P</em> intensities over land were found along the western equatorial coast of Africa, in India, and along coastal areas of Southeast Asia. Using a 0.5 mm d<sup>-1</sup> threshold, <em>P</em> was estimated to occur 23.2 % of days on average over the global land surface (excluding Antarctica). The climatologies including uncertainty estimates will be released as the Precipitation DISTribution (PDIST) dataset via www.gloh2o.org/pdist. We expect the dataset to be useful for numerous purposes, such as the evaluation of climate models, the bias correction of gridded <em>P</em> datasets, and the design of hydraulic structures in poorly gauged regions.</p>

scholarly journals The Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning

2018 ◽  
Author(s):  
Mahendra Awale ◽  
Jean-Louis Reymond
Keyword(s):  
Machine Learning ◽  
Cross Validation ◽  
Nearest Neighbor ◽  
Target Prediction ◽  
Molecular Shape ◽  
Public Access ◽  
Molecular Fingerprints ◽  
Small Molecule Drug ◽  
Fold Cross Validation

<div>Here we report PPB2 as a target prediction tool assigning targets to a query molecule based on ChEMBL data. PPB2 computes ligand similarities using molecular fingerprints encoding composition (MQN), molecular shape and pharmacophores (Xfp), and substructures (ECfp4), and features an unprecedented combination of nearest neighbor (NN) searches and Naïve Bayes (NB) machine learning, together with simple NN searches, NB and Deep Neural Network (DNN) machine learning models as further options. Although NN(ECfp4) gives the best results in terms of recall in a 10-fold cross-validation study, combining NN searches with NB machine learning provides superior precision statistics, as well as better results in a case study predicting off-targets of a recently reported TRPV6 calcium channel inhibitor, illustrating the value of this combined approach. PPB2 is available to assess possible off-targets of small molecule drug-like compounds by public access at ppb2.gdb.tools.</div>

Sign in / Sign up

Export Citation Format

Share Document