Hybrid Quantum Neural Network for Predicting Corrosion Inhibition Efficiency of Organic Molecules
(Wise Herowati, Muhamad Akrom)
DOI : 10.62411/jimat.v2i2.15132
- Volume: 2,
Issue: 2,
Sitasi : 0 11-Dec-2025
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Abstrak:
Corrosion inhibition efficiency (IE%) prediction plays a central role in the computational discovery of high-performance organic inhibitors. Classical machine learning has shown promising results; however, its performance often deteriorates when learning non-linear interactions between quantum chemical descriptors. Meanwhile, quantum machine learning (QML) provides enhanced expressivity through quantum feature mapping but remains limited by NISQ-era hardware. In this study, we propose a Hybrid Quantum Neural Network (HQNN) integrating classical dense layers with variational quantum circuits (VQC) to predict the inhibition efficiency of organic corrosion inhibitors. Using a curated dataset of 660 molecules with DFT descriptors, the HQNN achieves an RMSE of 3.41 and R² of 0.958, outperforming classical regressors and pure VQC. The results demonstrate that hybrid quantum models offer a balanced trade-off between quantum advantage and practical feasibility in materials informatics.
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2025 |
Integrating Quantum, Deep, and Classic Features with Attention-Guided AdaBoost for Medical Risk Prediction
(Muh Galuh Surya Putra Kusuma, De Rosal Ignatius Moses Setiadi, Wise Herowati, T. Sutojo, Prajanto Wahyu Adi, Pushan Kumar Dutta, Minh T. Nguyen)
DOI : 10.62411/jcta.14873
- Volume: 3,
Issue: 2,
Sitasi : 49 11-Oct-2025
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Abstrak:
Chronic diseases such as chronic kidney disease (CKD), diabetes, and heart disease remain major causes of mortality worldwide, highlighting the need for accurate and interpretable diagnostic models. However, conventional machine learning methods often face challenges of limited generalization, feature redundancy, and class imbalance in medical datasets. This study proposes an integrated classification framework that unifies three complementary feature paradigms: classical tabular attributes, deep latent features extracted through an unsupervised Long Short-Term Memory (LSTM) encoder, and quantum-inspired features derived from a five-qubit circuit implemented in PennyLane. These heterogeneous features are fused using a feature-wise attention mechanism combined with an AdaBoost classifier to dynamically weight feature contributions and enhance decision boundaries. Experiments were conducted on three benchmark medical datasets—CKD, early-stage diabetes, and heart disease—under both balanced and imbalanced configurations using stratified five-fold cross-validation. All preprocessing and feature extraction steps were carefully isolated within each fold to ensure fair evaluation. The proposed hybrid model consistently outperformed conventional and ensemble baselines, achieving peak accuracies of 99.75% (CKD), 96.73% (diabetes), and 91.40% (heart disease) with corresponding ROC AUCs up to 1.00. Ablation analyses confirmed that attention-based fusion substantially improved both accuracy and recall, particularly under imbalanced conditions, while SMOTE contributed minimally once feature-level optimization was applied. Overall, the attention-guided AdaBoost framework provides a robust and interpretable approach for clinical risk prediction, demonstrating that integrating diverse quantum, deep, and classical representations can significantly enhance feature discriminability and model reliability in structured medical data.
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49 |
2025 |
Comparative Study of Classical, Quantum, and Hybrid Stacking Models for Predicting Corrosion Inhibition Efficiency Using QSAR Descriptors
(Wise Herowati, Muhamad Akrom)
DOI : 10.62411/jimat.v2i1.12217
- Volume: 2,
Issue: 1,
Sitasi : 0 14-Jun-2025
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This study investigates the performance of classical, quantum, and hybrid classical-quantum stacking models in predicting Corrosion Inhibition Efficiency (IE%) using 14 QSAR descriptors. The hybrid model combines a Gradient Boosting Regressor (GBR) and a Quantum Support Vector Regressor (QSVR) through a meta-learner (Ridge Regression). Results show a significant improvement over traditional models. The hybrid stacking model achieved an R² of 0.834, an MSE of 8.123, an MAE of 2.371, and an RMSE of 2.850, outperforming both individual classical and quantum models. These results confirm the strength of hybrid models in capturing both complex nonlinear and quantum-interaction patterns in QSAR-based molecular prediction.
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2025 |
A Quantum Circuit Learning-based Investigation: A Case Study in Iris Benchmark Dataset Binary Classification
(Muhamad Akrom, Wise Herowati, De Rosal Ignatius Moses Setiadi)
DOI : 10.62411/jcta.11779
- Volume: 2,
Issue: 3,
Sitasi : 0 05-Jan-2025
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This study presents a Quantum Machine Learning (QML) architecture for perfectly classifying the Iris flower dataset. The research addresses improving classification accuracy using quantum models in machine-learning tasks. The objective is to demonstrate the effectiveness of QML approaches, specifically the Variational Quantum Circuit (VQC), Quantum Neural Network (QNN), and Quantum Support Vector Machine (QSVM), in achieving high performance on the Iris dataset. The proposed methods result in perfect classification, with all models attaining accuracy, precision, recall, and an F1-score of 1.00. The main finding is that the QML architecture successfully achieves flawless classification, contributing significantly to the field. These results underscore the potential of QML in solving complex classification problems and highlight its promise for future applications across various domains. The study concludes that QML techniques can offer transformative solutions in machine learning tasks, particularly those leveraging VQC, QNN, and QSVM.
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2025 |
Analyzing Preprocessing Impact on Machine Learning Classifiers for Cryotherapy and Immunotherapy Dataset
(De Rosal Ignatius Moses Setiadi, Hussain Md Mehedul Islam, Gustina Alfa Trisnapradika, Wise Herowati)
DOI : 10.62411/faith.2024-2
- Volume: 1,
Issue: 1,
Sitasi : 36 01-Jun-2024
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In the clinical treatment of skin diseases and cancer, cryotherapy and immunotherapy offer effective and minimally invasive alternatives. However, the complexity of patient response demands more sophisticated analytical strategies for accurate outcome prediction. This research focuses on analyzing the effect of preprocessing in various machine learning models on the prediction performance of cryotherapy and immunotherapy. The preprocessing techniques analyzed are advanced feature engineering and Synthetic Minority Over-sampling Technique (SMOTE) and Tomek links as resampling techniques and their combination. Various classifiers, including support vector machine (SVM), Naive Bayes (NB), Decision Tree (DT), Random Forest (RF), XGBoost, and Bidirectional Gated Recurrent Unit (BiGRU), were tested. The findings of this study show that preprocessing methods can significantly improve model performance, especially in the XGBoost model. Random Forest also gets the same results as XGBoost, but it can also work better without significant preprocessing. The best results were 0.8889, 0.8889, 0.6000, 0.9037, and 0.8790, respectively, for accuracy, recall, specificity, precision, and f1 on the Immunotherapy dataset, while on the Cryotherapy dataset, respectively, they were 0.8889, 0.8889, 0.6000, 0.9037, and 0.8790. This study confirms the potential of customized preprocessing and machine learning models to provide deep insights into treatment dynamics, ultimately improving the quality of diagnosis.
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36 |
2024 |
Investigation of Corrosion Inhibition Efficiency of Pyridine-Quinoline Compounds through Machine Learning
(Wise Herowati, Muhamad Akrom, Novianto Nur Hidayat, Totok Sutojo)
DOI : 10.62411/jimat.v1i1.10448
- Volume: 1,
Issue: 1,
Sitasi : 0 29-Apr-2024
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Corrosion in materials is a significant concern for the industrial and academic fields because corrosion causes enormous losses in various fields such as the economy, environment, society, industry, security, safety, and others. Currently, material damage control using organic compounds has become a popular field of study. Pyridine and quinoline stand out as corrosion inhibitors among a myriad of organic compounds because they are non-toxic, inexpensive, and effective in a variety of corrosive environments. Experimental investigations in developing various candidate potential inhibitor compounds are time and resource-intensive. In this work, we use a quantitative structure-property relationship (QSPR)-based machine learning (ML) approach to investigate support vector machine (SVR), random forest (RF), and k-nearest neighbors (KNN) algorithms as predictive models of inhibition performance. (Inhibition efficiency) corrosion of pyridine-quinoline derivative compounds as corrosion inhibitors on iron. We found that the RF model showed the best predictive ability based on the coefficient of determination (R2) and root mean squared error (RMSE) metrics. Overall, our study provides new insights regarding the ML model in predicting corrosion inhibition on iron surfaces.
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2024 |
IMPLEMENTASI COMPUTATIONAL THINKING PADA KURIKULUM MERDEKA MENGGUNAKAN METODE UNPLUGGED PROGRAMMING ACTIVITY (UPA)
(T. Sutojo, Supriadi Rustad, Muhamad Akrom, Wise Herowati)
DOI : 10.62411/ja.v7i1.1830
- Volume: 7,
Issue: 1,
Sitasi : 0 26-Jan-2024
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The application of Computational Thinking (CT) in the “Kurikulum Merdeka” is one way to strengthen fundamental competencies and holistic understanding in education. CT skills can be taught through Unplugged Programming Activities (UPA), which is an approach to teaching CT skills without using computer tools. This approach is appropriate for schools that do not have adequate technological infrastructure and for the “little ones”, namely students under 9 years of age. This service aims to provide UPA method training for teachers at Gaussian Kamil School (GKS) so that it can be applied to the Merdeka Curriculum at GKS. The UPA activity materials used were the games "Bee-bot" and "My Robotic Friends Activity". It is hoped that this material can provide knowledge and skills regarding CT to training participants at GKS. The results of the pre-test and post-test evaluation showed an increase in scores before and after the training process for the participants. So it can be said that the results of this service show that the UPA method is suitable for use to teach CT skills in schools that do not have adequate technological infrastructure.
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2024 |