Molecules ◽  
2021 ◽  
Vol 26 (19) ◽  
pp. 5787
Author(s):  
Jingjing Xu ◽  
Yuanshan Wang ◽  
Xiangnan Xu ◽  
Kian-Kai Cheng ◽  
Daniel Raftery ◽  
...  

In mass spectrometry (MS)-based metabolomics, missing values (NAs) may be due to different causes, including sample heterogeneity, ion suppression, spectral overlap, inappropriate data processing, and instrumental errors. Although a number of methodologies have been applied to handle NAs, NA imputation remains a challenging problem. Here, we propose a non-negative matrix factorization (NMF)-based method for NA imputation in MS-based metabolomics data, which makes use of both global and local information of the data. The proposed method was compared with three commonly used methods: k-nearest neighbors (kNN), random forest (RF), and outlier-robust (ORI) missing values imputation. These methods were evaluated from the perspectives of accuracy of imputation, retrieval of data structures, and rank of imputation superiority. The experimental results showed that the NMF-based method is well-adapted to various cases of data missingness and the presence of outliers in MS-based metabolic profiles. It outperformed kNN and ORI and showed results comparable with the RF method. Furthermore, the NMF method is more robust and less susceptible to outliers as compared with the RF method. The proposed NMF-based scheme may serve as an alternative NA imputation method which may facilitate biological interpretations of metabolomics data.


Author(s):  
Mohamed Reda Abonazel

This paper has reviewed two important problems in regression analysis (outliers and missing data), as well as some handling methods for these problems. Moreover, two applications have been introduced to understand and study these methods by R-codes. Practical evidence was provided to researchers to deal with those problems in regression modeling with R. Finally, we created a Monte Carlo simulation study to compare different handling methods of missing data in the regression model. Simulation results indicate that, under our simulation factors, the k-nearest neighbors method is the best method to estimate the missing values in regression models.


Author(s):  
Bo-Wei Chen ◽  
Jia-Ching Wang

This chapter discusses missing-value problems from the perspective of machine learning. Missing values frequently occur during data acquisition. When a dataset contains missing values, nonvectorial data are generated. This subsequently causes a serious problem in pattern recognition models because nonvectorial data need further data wrangling before models are built. In view of such, this chapter reviews the methodologies of related works and examines their empirical effectiveness. At present, a great deal of effort has been devoted in this field, and those works can be roughly divided into two types — Multiple imputation and single imputation, where the latter can be further classified into subcategories. They include deletion, fixed-value replacement, K-Nearest Neighbors, regression, tree-based algorithms, and latent component-based approaches. In this chapter, those approaches are introduced and commented. Finally, numerical examples are provided along with recommendations on future development.


2021 ◽  
Vol 7 ◽  
pp. e619
Author(s):  
Khaled M. Fouad ◽  
Mahmoud M. Ismail ◽  
Ahmad Taher Azar ◽  
Mona M. Arafa

The real-world data analysis and processing using data mining techniques often are facing observations that contain missing values. The main challenge of mining datasets is the existence of missing values. The missing values in a dataset should be imputed using the imputation method to improve the data mining methods’ accuracy and performance. There are existing techniques that use k-nearest neighbors algorithm for imputing the missing values but determining the appropriate k value can be a challenging task. There are other existing imputation techniques that are based on hard clustering algorithms. When records are not well-separated, as in the case of missing data, hard clustering provides a poor description tool in many cases. In general, the imputation depending on similar records is more accurate than the imputation depending on the entire dataset's records. Improving the similarity among records can result in improving the imputation performance. This paper proposes two numerical missing data imputation methods. A hybrid missing data imputation method is initially proposed, called KI, that incorporates k-nearest neighbors and iterative imputation algorithms. The best set of nearest neighbors for each missing record is discovered through the records similarity by using the k-nearest neighbors algorithm (kNN). To improve the similarity, a suitable k value is estimated automatically for the kNN. The iterative imputation method is then used to impute the missing values of the incomplete records by using the global correlation structure among the selected records. An enhanced hybrid missing data imputation method is then proposed, called FCKI, which is an extension of KI. It integrates fuzzy c-means, k-nearest neighbors, and iterative imputation algorithms to impute the missing data in a dataset. The fuzzy c-means algorithm is selected because the records can belong to multiple clusters at the same time. This can lead to further improvement for similarity. FCKI searches a cluster, instead of the whole dataset, to find the best k-nearest neighbors. It applies two levels of similarity to achieve a higher imputation accuracy. The performance of the proposed imputation techniques is assessed by using fifteen datasets with variant missing ratios for three types of missing data; MCAR, MAR, MNAR. These different missing data types are generated in this work. The datasets with different sizes are used in this paper to validate the model. Therefore, proposed imputation techniques are compared with other missing data imputation methods by means of three measures; the root mean square error (RMSE), the normalized root mean square error (NRMSE), and the mean absolute error (MAE). The results show that the proposed methods achieve better imputation accuracy and require significantly less time than other missing data imputation methods.


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