We present a novel methodology for automated feature subset selection from a pool of physiological signals using Quantum Annealing (QA). As a case study, we will investigate the effectiveness of QA-based feature selection techniques in selecting the optimal feature subset for stress detection. Features are extracted from four signal sources: foot EDA, hand EDA, ECG, and respiration. The proposed method embeds the feature variables extracted from the physiological signals in a binary quadratic model. The bias of the feature variable is calculated using the Pearson correlation coefficient between the feature variable and the target variable. The weight of the edge connecting the two feature variables is calculated using the Pearson correlation coefficient between two feature variables in the binary quadratic model. Subsequently, D-Wave’s clique sampler is used to sample cliques from the binary quadratic model. The underlying solution is then re-sampled to obtain multiple good solutions and the clique with the lowest energy is returned as the optimal solution. The proposed method is compared with commonly used feature selection techniques for stress detection. Results indicate that QA-based feature subset selection performed equally as that of classical techniques. However, under data uncertainty conditions such as limited training data, the performance of quantum annealing for selecting optimum features remained unaffected, whereas a significant decrease in performance is observed with classical feature selection techniques. Preliminary results show the promise of quantum annealing in optimizing the training phase of a machine learning classifier, especially under data uncertainty conditions.
We present a novel methodology for automated feature subset selection from a pool of physiological signals using Quantum Annealing (QA). As a case study, we will investigate the effectiveness of QA-based feature selection techniques in selecting the optimal feature subset for stress detection. Features are extracted from four signal sources: foot EDA, hand EDA, ECG, and respiration. The proposed method embeds the feature variables extracted from the physiological signals in a binary quadratic model. The bias of the feature variable is calculated using the Pearson correlation coefficient between the feature variable and the target variable. The weight of the edge connecting the two feature variables is calculated using the Pearson correlation coefficient between two feature variables in the binary quadratic model. Subsequently, D-Wave’s clique sampler is used to sample cliques from the binary quadratic model. The underlying solution is then re-sampled to obtain multiple good solutions and the clique with the lowest energy is returned as the optimal solution. The proposed method is compared with commonly used feature selection techniques for stress detection. Results indicate that QA-based feature subset selection performed equally as that of classical techniques. However, under data uncertainty conditions such as limited training data, the performance of quantum annealing for selecting optimum features remained unaffected, whereas a significant decrease in performance is observed with classical feature selection techniques. Preliminary results show the promise of quantum annealing in optimizing the training phase of a machine learning classifier, especially under data uncertainty conditions.
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.
Predicting software defects early in the development process not only enhances the quality and reliability of the software but also decreases the cost of development. A wide range of machine learning techniques can be employed to create software defect prediction models, but the effectiveness and accuracy of these models are often influenced by the choice of appropriate feature subset. Since finding the optimal feature subset is computationally intensive, heuristic and metaheuristic approaches are commonly employed to identify near-optimal solutions within a reasonable time frame. Recently, the quantum computing paradigm quantum annealing (QA) has been deployed to find solutions to complex optimization problems. This opens up the possibility of addressing the feature subset selection problem with a QA machine. Although several strategies have been proposed for feature subset selection using a QA machine, little exploration has been done regarding the viability of a QA machine for feature subset selection in software defect prediction. This study investigates the potential of D-Wave QA system for this task, where we formulate a mutual information (MI)-based filter approach as an optimization problem and utilize a D-Wave Quantum Processing Unit (QPU) solver as a QA solver for feature subset selection. We evaluate the performance of this approach using multiple software defect datasets from the AEEM, JIRA, and NASA projects. We also utilize a D-Wave classical solver for comparative analysis. Our experimental results demonstrate that QA-based feature subset selection can enhance software defect prediction. Although the D-Wave QPU solver exhibits competitive prediction performance with the classical solver in software defect prediction, it significantly reduces the time required to identify the best feature subset compared to its classical counterpart.
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.
This paper explores the applications of quantum annealing (QA) and classical simulated annealing (SA) to a suite of combinatorial optimization problems in machine learning, namely feature selection, instance selection, and clustering. We formulate each task as a Quadratic Unconstrained Binary Optimization (QUBO) problem and implement both quantum and classical solvers to compare their effectiveness. For feature selection, we propose several QUBO configurations that balance feature importance and redundancy, showing that quantum annealing (QA) produces solutions that are computationally more efficient. In instance selection, we propose a few novel heuristics for instance-level importance measures that extend existing methods. For clustering, we embed a classical-to-quantum pipeline, using classical clustering followed by QUBO-based medoid refinement, and demonstrate consistent improvements in cluster compactness and retrieval metrics. Our results suggest that QA can be a competitive and efficient tool for discrete machine learning optimization, even within the constraints of current quantum hardware.
Feature selection is crucial for enhancing the accuracy and efficiency of machine learning models. This work investigates the possibility of the usefulness of a quantum annealer to tackle the challenge of selecting features based on maximizing mutual information (MI) and conditional mutual information (CMI). Calculating the optimal feature set for maximum MI and CMI remains computationally intractable for large datasets on classical computers, even with approximation methods. This study employs a Mutual Information Quadratic Unconstrained Binary Optimization (MIQUBO) formulation, enabling its solution on a quantum annealer. Importantly, the study demonstrates the relevancy of this approach in identifying the best feature combinations that maximizes the MI and CMI. To showcase its real-world applicability, we apply MIQUBO to forecasting the price of used excavators. Our results demonstrate that using the MIQUBO approach there is an improvement in the prediction of machine learning models for datasets, with a smaller MI concentration on a subset of all features. • Problem Addressed: We tackle the computationally difficult problem of feature selection for machine learning models, specifically by maximizing mutual information (MI) and conditional mutual information (CMI) between features and the target variable. • Proposed Solution: We employ the adiabatic quantum computation paradigm to tackle this problem. The study utilizes a hybrid annealing approach, specifically the D-Wave Kerberos framework, which combines classical and quantum algorithms to solve the complex optimization problem. The feature selection task is reformulated as a Mutual Information Quadratic Unconstrained Binary Optimization (MIQUBO) problem, which can be solved on a quantum annealer. • Real-World Application: The MIQUBO method is applied to a practical, real-world scenario: forecasting the prices of used excavators. • Key Findings: The research demonstrates that using the MIQUBO approach leads to an improvement in the prediction performance of machine learning models. This is particularly true for datasets where the mutual information is less concentrated on a small subset of features.
Feature selection is a critical step in the machine learning (ML) model development workflow, aimed at identifying the most relevant subset of features from a dataset to improve ML model performance. In this paper, we investigate the use of quantum annealing to enhance the efficiency and effectiveness of feature selection, as compared to classical algorithmic methods for feature selection, prior to constructing a ML model for Internet of Things network intrusion detection. We aim to determine the optimal selection of network traffic features that contribute most to the detection of network intrusions. Leveraging a quantum annealing algorithm, which exploits quantum mechanics principles to find optimal solutions, along with D-Wave’s hybrid quantum computing service, enables us to successfully tackle this combinatorial optimization problem. Our quantum machine learning approach leverages the strengths of both classical and quantum computing, offering a “one-shot” solution to feature selection without the need for iterative ML model training or incremental construction of the solution.