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JITK (Jurnal Ilmu Pengetahuan dan Teknologi Komputer)

QUANTUM-ASSISTED FEATURE SELECTION FOR IMPROVING PREDICTION MODEL ACCURACY ON LARGE AND IMBALANCED DATASETS

Safii Safii, Mochamad Wahyudi, Dedy Hartama

Published Nov 27, 2025• 0 citations
Publisher

Abstract

One of the biggest obstacles to creating precise machine learning models is choosing representative and pertinent characteristics from big, unbalanced datasets. While too many features raise the risk of overfitting and computational expense, class imbalance frequently results in decreased accuracy and bias. The Simulated Annealing technique is used in this study to tackle a Quadratic Unconstrained Binary Optimization (QUBO) problem that is formulated as a quantum-assisted feature selection method to handle these problems. The technique seeks to reduce inter-feature redundancy and the number of selected features. There are 102,487 samples in the majority class and 11,239 in the minority class, totaling 28 characteristics in the experimental dataset. Nine ideal features were found during the feature selection method (12, 14, 15, 22, 23, 24, 25, 27, and 28). Ten-fold cross-validation was used to assess a Random Forest Classifier that was trained using an 80:20 split. With precision, recall, f1-score, and accuracy all hitting 1.00, the suggested QUBO+SMOTE method demonstrated exceptional performance. Comparatively, QUBO without SMOTE performed worse with accuracy 0.95 and minority-class f1-score of only 0.71, whereas a traditional Recursive Feature Elimination (RFE) approach obtained accuracy 0.97 with minority-class f1-score of 0.94. These findings indicate that QUBO can reduce dimensionality and address class imbalance which requires its integration with SMOTE. This study demonstrates how quantum computing can enhance the effectiveness and efficiency of machine learning, especially for large-scale imbalanced datasets

DOI
10.33480/jitk.v11i2.7040

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One of the biggest obstacles to creating precise machine learning models is choosing representative and pertinent characteristics from big, unbalanced datasets. While too many features raise the risk of overfitting and computational expense, class imbalance frequently results in decreased accuracy and bias. The Simulated Annealing technique is used in this study to tackle a Quadratic Unconstrained Binary Optimization (QUBO) problem that is formulated as a quantum-assisted feature selection method to handle these problems. The technique seeks to reduce inter-feature redundancy and the number of selected features. There are 102,487 samples in the majority class and 11,239 in the minority class, totaling 28 characteristics in the experimental dataset. Nine ideal features were found during the feature selection method (12, 14, 15, 22, 23, 24, 25, 27, and 28). Ten-fold cross-validation was used to assess a Random Forest Classifier that was trained using an 80:20 split. With precision, recall, f1-score, and accuracy all hitting 1.00, the suggested QUBO+SMOTE method demonstrated exceptional performance. Comparatively, QUBO without SMOTE performed worse with accuracy 0.95 and minority-class f1-score of only 0.71, whereas a traditional Recursive Feature Elimination (RFE) approach obtained accuracy 0.97 with minority-class f1-score of 0.94. These findings indicate that QUBO can reduce dimensionality and address class imbalance which requires its integration with SMOTE. This study demonstrates how quantum computing can enhance the effectiveness and efficiency of machine learning, especially for large-scale imbalanced datasets
Abstract Feature selection is a commonly used method in biomedical artificial intelligence and machine learning to identify a subset of high-quality variables that can be used to train downstream predictive models. It has been suggested that quantum feature selection (QFS), which takes advantage of the properties of quantum computers, may better identify variables that are correlated with the outcome while simultaneously reducing redundancy between selected variables. However, there are a limited number of studies evaluating their performance, particularly in real-world data sets. Here, we assess the performance of two QFS methods compared to random forest (RF) feature selection based on feature stability and the performance of a downstream classification algorithm when used to predict urinary tract infections in the emergency department from 211 original features extracted from the electronic health record. We found that a quantum binary quadratic model (BQM) and constrained quadratic model (CQM) had similar performance to RF feature selection (median F1 score of 0.60, 0.61, and 0.61 respectively) when 10 features were selected for an XGBoost classification model. The BQM and RF also had similar feature stability (0.91 and 0.94, respectively) while the CQM had lower stability (0.72). These findings show that QFS can be used with large, clinical data sets to identify features with high stability and predictive performance. As the capacity and quality of quantum computers continue to increase, these methods may offer additional benefits to classical feature selection methods.
Feature selection plays an important role in improving the efficiency of machine learning models for credit card fraud and default detection. We formulate the feature selection problem as a Quadratic Unconstrained Binary Optimization (QUBO) problem, which we solve using quantum annealers. We propose three new formulations based on this framework that improve the efficiency and flexibility of machine learning models. We benchmark the proposed methods, existing approaches from the literature, and also compare with classical feature-selection methods such as Random Forest feature importance and a combination of mutual information and Spearman correlation. Extensive experiments show that feature selection using quantum computers consistently performs better than the classical methods. Our experiments show the promise of using quantum computers in machine learning tasks in financial risk assessment applications.
Feature selection is crucial for enhancing the accuracy and efficiency of machine learning (ML) models. This work investigates the utility of quantum annealing for the feature selection process in an ML-pipeline, used for maximizing the mutual information (MI) or conditional mutual information (CMI) of the underlying feature space. Calculating the optimal set of features that maximize the MI or CMI is computationally intractable for large datasets on classical computers, even with approximative methods. This study employs a Mutual Information Quadratic Unconstrained Binary Optimization (MIQUBO) formulation, enabling its solution on a quantum annealer. We demonstrate the capability of this approach to identify the best feature combinations that maximize the MI or CMI. To showcase its real-world applicability, we solve the MIQUBO problem to forecast the prices of used excavators. Our results demonstrate that for datasets with a small MI concentration the MIQUBO approach can provide a significant improvement over MI-only based approaches, dependent on the dimension of the selected feature space.
In this work, we tackle the feature selection problem for content-based recommender systems using Quadratic Unconstrained Binary Optimization (QUBO). Our approach, submitted as Team MALTO to the QuantumCLEF 2025 challenge, aims to improve the performance of an Item-Based K-Nearest Neighbors (Item-KNN) model by selecting a compact and informative subset of item features. We formulate a QUBO objective that combines feature relevance – estimated via Random Forest (RF) importance scores – and feature redundancy – captured through pairwise Pearson correlations. We compare our method against a collaborative-driven QUBO baseline and a random selection strategy. Experiments on the official QuantumCLEF dataset demonstrate that our relevanceaware strategy outperforms the other methods regarding recommendation quality, especially in low-dimensional feature regimes. Our results highlight the potential of combining machine learning and quantum optimization for effective feature selection in recommender systems
Imbalanced datasets in machine learning often result in biased models, particularly in classification problems when certain classes are un‎der-represented. Traditional oversampling techniques like Synthetic Minority Over-sampling Technique (SMOTE), although popular, have ‎difficulty producing synthetic samples of high quality when working in high-dimensional spaces or non-linear feature spaces. Existing techniques, such as SMOTE, do not fully account for the inherent complexity of non-linear structures of a minority class's distribution, which can ‎produce negatively biased classifiers with poor generalization and the risk of overfitting to the minority class. This is further complicated by ‎the reliance of traditional oversampling techniques on linear interpolation, which limits the possibilities of generating realistic or diverse and ‎non-redundant synthetic samples. The proposed technique, QGOPQC, describes Quantum Generative Oversampling using Parameterized ‎Quantum Circuits (PQCs). This approach describes using a quantum circuit, utilizing a novel implementation of a PQCs to overcome the non-‎linear problem. The development of synthetic samples of high fidelity using parameterized quantum circuits would better reflect the true data ‎manifold of the generated class, allowing for a better learning process in a quantum training process, and using quantum state encoding, quantum circuit training, and classical optimization to produce diverse samples of synthetic classes while not compromising on information that ‎maintains feature correlations. Demonstrated through a variety of results, the method achieved consistently higher AUC scores, reaching up to ‎‎0.92 compared to SMOTE’s 0.53, especially in high-dimensional scenarios. The proposed process of using QGOPQC has had a related beneficial effect on classifier performance when trained on imbalanced data, allowing for the process of generating non-redundant high-quality ‎samples through a quantum method of sampling‎.
Feature selection is of great importance in Machine Learning, where it can be used to reduce the dimensionality of classification, ranking and prediction problems. The removal of redundant and noisy features can improve both the accuracy and scalability of the trained models. However, feature selection is a computationally expensive task with a solution space that grows combinatorically. In this work, we consider in particular a quadratic feature selection problem that can be tackled with the Quantum Approximate Optimization Algorithm (QAOA), already employed in combinatorial optimization. First we represent the feature selection problem with the QUBO formulation, which is then mapped to an Ising spin Hamiltonian. Then we apply QAOA with the goal of finding the ground state of this Hamiltonian, which corresponds to the optimal selection of features. In our experiments, we consider seven different real–world datasets with dimensionality up to 21 and run QAOA on both a quantum simulator and, for small datasets, the 7–qubit IBM (ibm–perth) quantum computer. We use the set of selected features to train a classification model and evaluate its accuracy. Our analysis shows that it is possible to tackle the feature selection problem with QAOA and that currently available quantum devices can be used effectively. Future studies could test a wider range of classification models as well as improve the effectiveness of QAOA by exploring better performing optimizers for its classical step.