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Framework for Early Prediction of Lithium-Ion Battery Lifetime: A Hybrid Quantum-Classical Approach Anggita, Sheilla Rully; Akrom, Muhamad
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.v2i2.15055

Abstract

Accurately predicting the lifetime of lithium-ion batteries during early charge–discharge cycles remains a significant challenge due to the nonlinear and weakly expressed degradation dynamics in the initial stages of operation. Classical machine learning (ML) models—although effective in pattern recognition—often face limitations in modeling complex correlations within small, high-dimensional datasets. To address these challenges, this study proposes a Hybrid Quantum–Classical Machine Learning (HQML) framework that integrates a Variational Quantum Circuit (VQC) as a quantum feature encoder with a Gradient Boosting Regressor (GBR) as the classical learner. The proposed approach is implemented using the Qiskit Aer simulator on the MIT Battery Degradation Dataset (124 cells, 42 engineered features). By encoding multi-source degradation descriptors (voltage, capacity, temperature, internal resistance) into Hilbert space via amplitude and angle encoding, the HQML model captures intricate nonlinear feature interactions that are inaccessible to conventional kernels. Experimental results demonstrate that the hybrid model achieves an RMSE of 93 cycles and an R² of 0.94, outperforming the best classical baseline (SVM + Wrapper selection, RMSE = 115, R² = 0.90). Furthermore, quantum observables analysis reveals interpretable correlations between entanglement strengths and physical degradation indicators. These results highlight the potential of quantum machine learning as a powerful paradigm for high-fidelity battery prognostics in the early-life regime.
Hybrid Quantum Neural Network for Predicting Corrosion Inhibition Efficiency of Organic Molecules Herowati, Wise; Akrom, Muhamad
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.
Quantum Convolutional Neural Networks: Architectures, Applications, and Future Directions: A Review Trisnapradika, Gustina Alfa; Safitri, Aprilyani Nur; Hidayat, Novianto Nur; Akrom, Muhamad
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.v2i2.15154

Abstract

Quantum Convolutional Neural Networks (QCNNs) have emerged as one of the most promising architectures in Quantum Machine Learning (QML), enabling hierarchical quantum feature extraction and offering potential advantages over classical CNNs in expressivity and scalability. This study presents a Systematic Literature Review (SLR) on QCNN development from 2019 to 2025, covering theoretical foundations, model architectures, noise resilience, benchmark performance, and applications in materials informatics, chemistry, image recognition, quantum phase classification, and cybersecurity. The SLR followed PRISMA guidelines, screening 214 publications and selecting 47 primary studies. The review finds that QCNNs consistently outperform classical baselines in small-data and high-dimensional regimes due to quantum feature maps and entanglement-driven locality. Significant limitations include noise sensitivity, limited qubit availability, and a lack of standardized datasets for benchmarking. The novelty of this work lies in providing the first comprehensive synthesis of QCNN research across theory, simulations, and real-hardware deployment, offering a roadmap for research gaps and future directions. The findings confirm that QCNNs are strong candidates for NISQ-era applications, especially in physics-informed learning.
Enhancing the Predictive Accuracy of Corrosion Inhibition Efficiency Using Gradient Boosting with Feature Engineering and Gaussian Mixture Model Amri, Sahrul; Akrom, Muhamad; Trisnapradika, Gustina Alfa
Journal of Applied Informatics and Computing Vol. 9 No. 6 (2025): December 2025
Publisher : Politeknik Negeri Batam

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30871/jaic.v9i6.11560

Abstract

Prediction The development of Quantitative structure property relationship (QSPR) models for predicting corrosion inhibition efficiency (IE) often faces challenges due to small datasets, which heightens the risk of overfitting and results in less reliable performance assessments. This research creates an entirely leakage-free modeling framework by combining per-fold preprocessing, augmentation of training-only data, and rigorous Leave-One-Out Cross-Validation (LOOCV). A set of 20 pyridazine derivatives was evaluated using 12 quantum-chemical descriptors, including HOMO, LUMO, ΔE, dipole moment, electronegativity, hardness, softness, and the electron-transfer fraction. An initial assessment showed that all baseline models lacking augmentation Gradient Boosting, Random Forest, SVR, and XGBoost demonstrated limited predictive power (R² < 0.20), revealing the dataset's inherently low information complexity.To enhance representation in the feature space, a multi-scale Gaussian Mixture Model (GMM) was used to generate chemically valid synthetic samples, with all components trained solely on the training subset from each LOOCV fold. This strategy consistently improved model performance. The two most successful configurations, XGBoost + GMM v2 and Random Forest + GMM v3, reached R² values of 0.4457 and 0.4108, respectively, along with significant decreases in RMSE, MAE, and MAPE. These findings illustrate that GMM-based generative augmentation effectively captures multicluster structures within the descriptor space while expanding the chemical variability domain in a controlled way.While the resulting R² values remain inadequate for high-precision quantitative predictions, the proposed methodology provides a solid basis for early-stage evaluation of corrosion inhibitors in situations with limited data. Future research will aim to integrate advanced DFT-derived descriptors, molecular graph representations, and tests against larger external datasets to enhance model generalizability.
Analisis Komparatif Arsitektur Convolutional Neural Network untuk Klasifikasi Kualitas Cabai dengan Implementasi Perangkat Mobile Ikhsanudin, Nur; Akrom, Muhamad
Building of Informatics, Technology and Science (BITS) Vol 7 No 4 (2026): March 2026
Publisher : Forum Kerjasama Pendidikan Tinggi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47065/bits.v7i4.9419

Abstract

Manual chili quality sorting is susceptible to subjectivity and inter-assessor inconsistency, which can reduce product market value. This study conducts a comparative analysis of three Convolutional Neural Network (CNN) architectures—Custom CNN, MobileNetV3-Small, and EfficientNetV2-B0 for binary chili quality classification (Good/Bad) using a primary dataset of 1,383 chili images (684 Good-class, 699 Bad-class) captured with a smartphone camera. The Good class includes chili with a smooth surface, fresh color, and no decay spots, while the Bad class includes chili showing signs of decay, physical defects, or deformation. Evaluation was conducted based on accuracy, precision, recall, F1-Score, AUC, inference time, and post-quantization model size. The results show that EfficientNetV2-B0 achieved the highest accuracy of 92.0% (precision 92.4%, recall 92.0%, F1-Score 92.0%, AUC 0.961), MobileNetV3-Small obtained an accuracy of 87.7% with the lowest server-side inference latency (2.39 ms), and Custom CNN achieved 87.3% accuracy with the most compact model size (118 KB post-quantization). All three models were integrated into a Flutter-based Android application prototype as a proof-of-concept, displaying the classification result (Good/Bad), confidence score, and inference latency, with end-to-end response times ranging from 80 to 120 ms on a Xiaomi 13T device. This study contributes empirical comparative data on three CNN architectures in the chili quality classification domain, accompanied by the construction of a local dataset and technical validation of model deployment on a mobile device. The results of this study are expected to serve as a reference in selecting CNN architecture for the development of a mobile-based chili quality classification system, particularly as a first step toward the implementation of simple small-scale sorting at the farmer level.
Analisis Performa K-Nearest Neighbor dengan Optimasi F1-Score dan Teknik SMOTE dalam Klasifikasi Risiko Serangan Jantung Pratama, Fikri Luqman; Akrom, Muhamad
Building of Informatics, Technology and Science (BITS) Vol 7 No 4 (2026): March 2026
Publisher : Forum Kerjasama Pendidikan Tinggi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47065/bits.v7i4.9493

Abstract

Heart attack is one of the leading causes of death worldwide, making early risk prediction essential for improving patient outcomes. However, many medical datasets suffer from class imbalance, where the number of high-risk cases is significantly smaller than normal cases. This condition may cause machine learning models to be biased toward the majority class and reduce their ability to detect high-risk patients. This study aims to analyze the performance of the K-Nearest Neighbor (KNN) algorithm optimized using F1-score and combined with the Synthetic Minority Over-sampling Technique (SMOTE) for heart attack risk classification. The dataset used is the Heart Attack Dataset, which consists of numerical and categorical features. The research applies an experimental approach by developing a machine learning pipeline that includes data preprocessing, missing value handling, feature standardization, oversampling using SMOTE, and hyperparameter optimization through GridSearchCV with F1-score as the main evaluation metric. Model evaluation is conducted using Stratified 5-Fold Cross-Validation with accuracy, precision, recall, F1-score, and ROC-AUC metrics. The results show that the baseline KNN model achieves an accuracy of 98.50%, precision 95.27%, recall 81.47%, and ROC-AUC 0.9278. Meanwhile, the KNN model integrated with SMOTE attains a recall of 87.27% and ROC-AUC of 0.9484, indicating improved detection of heart attack cases and a reduction in false negatives by 31%, although precision decreases to 72.15%. These findings demonstrate that the integration of SMOTE and hyperparameter optimization effectively improves model sensitivity, making it more suitable for medical applications that prioritize patient safety.