This study evaluates gate-based quantum machine learning (QML) models, including the Variational Quantum Classifier (VQC) and Quantum k-Nearest Neighbors (QkNN), on the QM9 quantum chemistry dataset for binary classification of molecular electronic properties. Using IBM Qiskit, both models were tested on simulators and real quantum hardware. Classical models (LightGBM, SVM, MLP) served as benchmarks. Results show classical models outperform quantum ones, with LightGBM achieving the highest AUC-ROC (0.901). However, VQC on simulators achieved a competitive AUC of 0.781, and real hardware still yielded performance above that of chance. Despite hardware constraints, quantum models demonstrated learning capability. The findings support hybrid quantum-classical systems as a promising near-term approach while quantum hardware continues to evolve

The purpose of this study is to use quantitative structure-property relationship (QSPR)-based machine learning (ML) to examine the corrosion inhibition capabilities of benzimidazole compounds. The primary difficulty in ML development is creating a model with a high degree of precision so that the predictions are correct and pertinent to the material's actual attributes. We assess the comparison between the extra trees regressor (EXT) as an ensemble model and the decision tree regressor (DT) as a basic model. It was discovered that the EXT model had better predictive performance in predicting the corrosion inhibition performance of benzimidazole compounds based on the coefficient of determination (R2) and root mean square error (RMSE) metrics compared DT model. This method provides a fresh viewpoint on the capacity of ML models to forecast potent corrosion inhibitors.

This study explores Quantum Convolutional Neural Network (QCNN) starting from foundational quantum operations, such as the Rx gate for encoding MNIST image data into quantum states. We implemented quantum convolutional and pooling layers using one_unitary and two_unitary circuits, enabling effective feature extraction and dimensionality reduction while preserving critical information. Expressibility analysis revealed varying capabilities across different one_unitary circuits, with Rx, Ry, and Rz combinations demonstrating promising results akin to Haar random states. The proposed QCNN model exhibited robust performance metrics (accuracy: 95.98%, precision: 94.44%, recall: 96.59%, F1-score: 0.9551, AUC: 0.9604) in classification tasks, supported by efficient convergence during optimization. Future directions include expanding QCNN applications to handle more complex datasets and optimizing architectures to enhance quantum machine learning capabilities, particularly in image processing. This study underscores the potential of QCNNs in advancing quantum computing applications in neural network architectures.
 
Keywords: MNIST, classification, CNN, expressibility

This study explores the use of Broad Learning Systems (BLS) to predict the corrosion inhibition efficiency (CIE) of heterocyclic compounds, addressing limitations of deep neural networks (DNNs) such as vanishing gradients and computational inefficiency. BLS prioritizes network width over depth, enabling faster learning and improved generalization. Trained on quantum chemical properties (QCPs) of 192 heterocyclic compounds, BLS outperformed multilayer perceptron neural networks (MLPNN) and random forest (RF) models, achieving lower mean absolute error (MAE: 1.41), root mean square error (RMSE: 1.79), and higher R² (0.993). Predicted CIE values for quinoxaline derivatives (95.39% and 94.05%) aligned closely with experimental data. This study demonstrates the potential of BLS as an efficient, accurate, and scalable approach for predicting corrosion inhibition capabilities, contributing to advancements in corrosion science and environmentally friendly solutions.
 
Keywords - machine learning, broad learning system, neural network, corrosion.