The Empirical Comparison of Machine Learning Algorithm for the Class Imbalanced Problem in Conformational Epitope Prediction

A conformational epitope is a part of a protein-based vaccine. It is challenging to identify using an experiment. A computational model is developed to support identification. However, the imbalance class is one of the constraints to achieving optimal performance on the conformational epitope B cell...

Full description

Bibliographic Details
Main Authors: Binti Solihah, Azhari Azhari, Aina Musdholifah
Format: Article
Language:Indonesian
Published: Universitas Muhammadiyah Purwokerto 2021-05-01
Series:Jurnal Informatika
Subjects:
Online Access:http://jurnalnasional.ump.ac.id/index.php/JUITA/article/view/9969
_version_ 1818609083584872448
author Binti Solihah
Azhari Azhari
Aina Musdholifah
author_facet Binti Solihah
Azhari Azhari
Aina Musdholifah
author_sort Binti Solihah
collection DOAJ
description A conformational epitope is a part of a protein-based vaccine. It is challenging to identify using an experiment. A computational model is developed to support identification. However, the imbalance class is one of the constraints to achieving optimal performance on the conformational epitope B cell prediction. In this paper, we compare several conformational epitope B cell prediction models from non-ensemble and ensemble approaches. A sampling method from Random undersampling, SMOTE, and cluster-based undersampling is combined with a decision tree or SVM to build a non-ensemble model. A random forest model and several variants of the bagging method is used to construct the ensemble model. A 10-fold cross-validation method is used to validate the model.  The experiment results show that the combination of the cluster-based under-sampling and decision tree outperformed the other sampling method when combined with the non-ensemble and the ensemble method. This study provides a baseline to improve existing models for dealing with the class imbalance in the conformational epitope prediction.
first_indexed 2024-12-16T14:52:54Z
format Article
id doaj.art-6f2d794242f34adc9c7a87c75a25e98c
institution Directory Open Access Journal
issn 2086-9398
2579-8901
language Indonesian
last_indexed 2024-12-16T14:52:54Z
publishDate 2021-05-01
publisher Universitas Muhammadiyah Purwokerto
record_format Article
series Jurnal Informatika
spelling doaj.art-6f2d794242f34adc9c7a87c75a25e98c2022-12-21T22:27:32ZindUniversitas Muhammadiyah PurwokertoJurnal Informatika2086-93982579-89012021-05-019113113810.30595/juita.v9i1.99693745The Empirical Comparison of Machine Learning Algorithm for the Class Imbalanced Problem in Conformational Epitope PredictionBinti Solihah0Azhari AzhariAina MusdholifahJurusan Teknik Informatika, FTI, Universitas TrisaktiA conformational epitope is a part of a protein-based vaccine. It is challenging to identify using an experiment. A computational model is developed to support identification. However, the imbalance class is one of the constraints to achieving optimal performance on the conformational epitope B cell prediction. In this paper, we compare several conformational epitope B cell prediction models from non-ensemble and ensemble approaches. A sampling method from Random undersampling, SMOTE, and cluster-based undersampling is combined with a decision tree or SVM to build a non-ensemble model. A random forest model and several variants of the bagging method is used to construct the ensemble model. A 10-fold cross-validation method is used to validate the model.  The experiment results show that the combination of the cluster-based under-sampling and decision tree outperformed the other sampling method when combined with the non-ensemble and the ensemble method. This study provides a baseline to improve existing models for dealing with the class imbalance in the conformational epitope prediction.http://jurnalnasional.ump.ac.id/index.php/JUITA/article/view/9969sampling-based method, class imbalance, conformational epitope, b-cell, machine learning-based
spellingShingle Binti Solihah
Azhari Azhari
Aina Musdholifah
The Empirical Comparison of Machine Learning Algorithm for the Class Imbalanced Problem in Conformational Epitope Prediction
Jurnal Informatika
sampling-based method, class imbalance, conformational epitope, b-cell, machine learning-based
title The Empirical Comparison of Machine Learning Algorithm for the Class Imbalanced Problem in Conformational Epitope Prediction
title_full The Empirical Comparison of Machine Learning Algorithm for the Class Imbalanced Problem in Conformational Epitope Prediction
title_fullStr The Empirical Comparison of Machine Learning Algorithm for the Class Imbalanced Problem in Conformational Epitope Prediction
title_full_unstemmed The Empirical Comparison of Machine Learning Algorithm for the Class Imbalanced Problem in Conformational Epitope Prediction
title_short The Empirical Comparison of Machine Learning Algorithm for the Class Imbalanced Problem in Conformational Epitope Prediction
title_sort empirical comparison of machine learning algorithm for the class imbalanced problem in conformational epitope prediction
topic sampling-based method, class imbalance, conformational epitope, b-cell, machine learning-based
url http://jurnalnasional.ump.ac.id/index.php/JUITA/article/view/9969
work_keys_str_mv AT bintisolihah theempiricalcomparisonofmachinelearningalgorithmfortheclassimbalancedprobleminconformationalepitopeprediction
AT azhariazhari theempiricalcomparisonofmachinelearningalgorithmfortheclassimbalancedprobleminconformationalepitopeprediction
AT ainamusdholifah theempiricalcomparisonofmachinelearningalgorithmfortheclassimbalancedprobleminconformationalepitopeprediction
AT bintisolihah empiricalcomparisonofmachinelearningalgorithmfortheclassimbalancedprobleminconformationalepitopeprediction
AT azhariazhari empiricalcomparisonofmachinelearningalgorithmfortheclassimbalancedprobleminconformationalepitopeprediction
AT ainamusdholifah empiricalcomparisonofmachinelearningalgorithmfortheclassimbalancedprobleminconformationalepitopeprediction