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All Journal JOURNAL OF APPLIED INFORMATICS AND COMPUTING Journal of Computing Theories and Applications Journal of Multiscale Materials Informatics
Wise Herowati
Universitas Dian Nuswantoro
Chemical Engineering, Chemistry & Bioengineering Computer Science & IT Decision Sciences, Operations Research & Management Industrial & Manufacturing Engineering Materials Science & Nanotechnology

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A Quantum Circuit Learning-based Investigation: A Case Study in Iris Benchmark Dataset Binary Classification Muhamad Akrom; Wise Herowati; De Rosal Ignatius Moses Setiadi
Journal of Computing Theories and Applications Vol. 2 No. 3 (2025): JCTA 2(3) 2025
Publisher : Universitas Dian Nuswantoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62411/jcta.11779

Abstract

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.
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
Journal of Computing Theories and Applications Vol. 3 No. 2 (2025): JCTA 3(2) 2025
Publisher : Universitas Dian Nuswantoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62411/jcta.14873

Abstract

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.
Machine Learning-Assisted Prediction of Oxygen Evolution Reaction (OER) Activity for Catalyst Discovery: A Review Wise Herowati; Muhamad Akrom; Totok Sutojo; Achmad Wahid Kurniawan
Journal of Multiscale Materials Informatics Vol. 3 No. 1 (2026): April
Publisher : Universitas Dian Nuswantoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62411/jimat.v3i1.15917

Abstract

The Oxygen Evolution Reaction (OER) is a fundamental process in electrochemical water splitting, playing a crucial role in sustainable hydrogen production. However, its intrinsically sluggish kinetics, involving complex four-electron transfer steps, remain a major bottleneck for efficient energy conversion. In recent years, Machine Learning (ML) has emerged as a powerful approach to accelerate catalyst discovery by enabling data-driven prediction of OER activity and reducing reliance on costly experimental and density functional theory (DFT) calculations. This review systematically summarizes recent advances in ML-assisted OER research, focusing on key aspects including dataset construction, descriptor engineering, model development, and performance evaluation. Various ML techniques, ranging from traditional algorithms such as Random Forest and Support Vector Machines to advanced deep learning approaches, are critically discussed in the context of catalyst screening and activity prediction. Particular attention is given to the role of physicochemical descriptors, including adsorption energies and electronic structure parameters, in governing model performance and interpretability. Furthermore, this review highlights current challenges, such as data scarcity, lack of standardization, and limited model generalization, while discussing emerging trends including active learning, explainable AI, and integration with high-throughput simulations. By providing a comprehensive overview, this work aims to guide future research toward the development of robust, interpretable, and scalable ML frameworks for accelerating the discovery of efficient OER catalysts.
Investigation of Corrosion Inhibition Efficiency of Pyridine-Quinoline Compounds through Machine Learning Wise Herowati; Muhamad Akrom; Novianto Nur Hidayat; Totok Sutojo
Journal of Multiscale Materials Informatics Vol. 1 No. 1 (2024): April
Publisher : Universitas Dian Nuswantoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62411/jimat.v1i1.10448

Abstract

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.
Comparative Study of Classical, Quantum, and Hybrid Stacking Models for Predicting Corrosion Inhibition Efficiency Using QSAR Descriptors Wise Herowati; Muhamad Akrom
Journal of Multiscale Materials Informatics Vol. 2 No. 1 (2025): April
Publisher : Universitas Dian Nuswantoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62411/jimat.v2i1.12217

Abstract

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.
Hybrid Quantum Neural Network for Predicting Corrosion Inhibition Efficiency of Organic Molecules Wise Herowati; Muhamad Akrom
Journal of Multiscale Materials Informatics Vol. 2 No. 2 (2025): Oktober
Publisher : Universitas Dian Nuswantoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62411/jimat.v2i2.15132

Abstract

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.
Comparison of LSTM, GRU, Bi-LSTM, and XGBoost for BRIS Stock Price Prediction with Lookback Period Variations Subekti Wahyu Aji; Wise Herowati
Journal of Applied Informatics and Computing Vol. 10 No. 4 (2026): August 2026
Publisher : Politeknik Negeri Batam

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30871/jaic.v10i4.13412

Abstract

Stock price forecasting remains a challenging task due to the nonlinear and non-stationary characteristics of financial time series, particularly for Islamic banking stocks such as Bank Syariah Indonesia (BRIS), which exhibit highly dynamic price movements. This study compares the performance of four prediction models Long Short-Term Memory (LSTM), Gated Recurrent Unit (GRU), Bidirectional Long Short-Term Memory (Bi-LSTM), and XGBoost in forecasting BRIS closing stock prices using OHLCV data collected from August 2020 to December 2025. To investigate the influence of historical observation windows, three lookback periods (10, 20, and 30 trading days) were evaluated. Model performance was assessed using Root Mean Square Error (RMSE), Mean Absolute Error (MAE), Mean Absolute Percentage Error (MAPE), and the coefficient of determination (R²). The experimental results demonstrate that the GRU model with a 10-day lookback period achieved the best overall performance, yielding an RMSE of 78.0643 IDR, a MAPE of 2.13%, and an R² value of 0.8438. It outperformed Bi-LSTM, XGBoost, and LSTM, all of which also achieved their highest accuracy using the 10-day lookback period. Furthermore, the analysis reveals that the shorter lookback window consistently provides superior predictive performance across all evaluated models, whereas extending the lookback period to 20 or 30 days does not lead to consistent performance improvements. Residual analysis further indicates a relatively unbiased distribution of prediction errors. These findings suggest that the simplified gating mechanism of GRU enables better stability and generalization than more complex architectures for forecasting Islamic bank stock prices. This study contributes to the understanding of the relationship between model complexity and historical time window selection in deep learning-based financial forecasting and provides practical guidance for selecting appropriate prediction models for Indonesian Islamic banking stocks.
Co-Authors Achmad Wahid Kurniawan De Rosal Ignatius Moses Setiadi Minh T. Nguyen Muh Galuh Surya Putra Kusuma Muhamad Akrom Novianto Nur Hidayat Prajanto Wahyu Adi Pushan Kumar Dutta Subekti Wahyu Aji T. Sutojo Totok Sutojo