We introduce a variational quantum algorithm to solve unconstrained black box binary optimization problems, i.e., problems in which the objective function is given as black box. This is in contrast to the typical setting of quantum algorithms for optimization where a classical objective function is provided as a given Quadratic Unconstrained Binary Optimization problem and mapped to a sum of Pauli operators. Furthermore, we provide theoretical justification for our method based on convergence guarantees of quantum imaginary time evolution.To investigate the performance of our algorithm and its potential advantages, we tackle a challenging real-world optimization problem: feature selection . This refers to the problem of selecting a subset of relevant features to use for constructing a predictive model such as fraud detection. Optimal feature selection---when formulated in terms of a generic loss function---offers little structure on which to build classical heuristics, thus resulting primarily in ‘greedy methods’. This leaves room for (near-term) quantum algorithms to be competitive to classical state-of-the-art approaches. We apply our quantum-optimization-based feature selection algorithm, termed VarQFS, to build a predictive model for a credit risk data set with 20 and 59 input features (qubits) and train the model using quantum hardware and tensor-network-based numerical simulations, respectively. We show that the quantum method produces competitive and in certain aspects even better performance compared to traditional feature selection techniques used in today's industry.
We introduce a variational quantum algorithm to solve unconstrained black box binary optimization problems, i.e., problems in which the objective function is given as black box. This is in contrast to the typical setting of quantum algorithms for optimization where a classical objective function is provided as a given Quadratic Unconstrained Binary Optimization problem and mapped to a sum of Pauli operators. Furthermore, we provide theoretical justification for our method based on convergence guarantees of quantum imaginary time evolution.To investigate the performance of our algorithm and its potential advantages, we tackle a challenging real-world optimization problem: feature selection . This refers to the problem of selecting a subset of relevant features to use for constructing a predictive model such as fraud detection. Optimal feature selection---when formulated in terms of a generic loss function---offers little structure on which to build classical heuristics, thus resulting primarily in ‘greedy methods’. This leaves room for (near-term) quantum algorithms to be competitive to classical state-of-the-art approaches. We apply our quantum-optimization-based feature selection algorithm, termed VarQFS, to build a predictive model for a credit risk data set with 20 and 59 input features (qubits) and train the model using quantum hardware and tensor-network-based numerical simulations, respectively. We show that the quantum method produces competitive and in certain aspects even better performance compared to traditional feature selection techniques used in today's industry.
Abstract In machine learning, fewer features reduce model complexity. Carefully assessing the influence of each input feature on the model quality is therefore a crucial preprocessing step. We propose a novel feature selection algorithm based on a quadratic unconstrained binary optimization (QUBO) problem, which allows to select a specified number of features based on their importance and redundancy. In contrast to iterative or greedy methods, our direct approach yields higher-quality solutions. QUBO problems are particularly interesting because they can be solved on quantum hardware. To evaluate our proposed algorithm, we conduct a series of numerical experiments using a classical computer, a quantum gate computer, and a quantum annealer. Our evaluation compares our method to a range of standard methods on various benchmark data sets. We observe competitive performance.
Loan portfolio optimization (LPO) seeks portfolios that minimize credit risk while satisfying practical selection constraints. Accounting for portfolio-level risk requires modeling not only expected losses but also loss variability and borrower-default correlations, leading to a large-scale combinatorial optimization problem whose complexity grows rapidly with portfolio size. In this work, we formulate LPO as a Quadratic Constrained Binary Optimization (QCBO) problem that jointly captures expected and unexpected losses and transform the resulting formulation into a Quadratic Unconstrained Binary Optimization (QUBO) model suitable for variational quantum optimization. To address the limited qubit resources of current quantum hardware, we employ Pauli Correlation Encoding (PCE), which enables a large number of portfolio-selection variables to be represented using comparatively few qubits. The proposed framework is evaluated on a real-world microfinance dataset comprising 2012 borrowers. For problem instances with up to 1000 portfolio-selection variables, we benchmark classical simulations of a variational quantum algorithm (VQA) against Google OR-Tools under matched time budgets, obtaining feasible portfolios with an objective-value gap of about 40% across all sizes. We further implement the framework on superconducting quantum hardware for instances containing up to 1500 variables. Across these instances, the experimentally obtained objective values are within 10% of the corresponding simulation results. These findings demonstrate the feasibility of applying PCE-based variational quantum optimization to large-scale loan portfolio optimization under current quantum hardware limitations.
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.
As the volume of data for classification tasks in machine learning grows, feature selection plays an increasingly crucial role in enhancing the efficiency and effectiveness of these tasks. Existing classical feature selection algorithms often encounter challenges, such as high computational complexity and vulnerability to local optima. Quantum algorithms have been proposed to overcome these limitations. Here, our work proposes a new approach that combines the Quantum Approximate Optimization Algorithm (QAOA) with the classical feature selection algorithm Maximum Relevance-Minimum Redundancy (MRMR). First, we transform the feature selection problem into the Quadratic Unconstrained Binary Optimization (QUBO) problem. Then, we map the QUBO formulation to Hamiltonian with the Ising model. Finally, we employ QAOA with a shallow circuit to search this Hamiltonian's ground state, which matches the specific solution for feature selection. We conducted numerical experiments on eight real-world datasets for classification tasks from diverse domains, including finance, medicine, and natural hazards. Experiment results suggest that QAOA-selected feature subsets size are typically less than half the complete set while achieving comparable or better classification accuracy than classical MRMR, demonstrating its preference for smaller, more efficient feature subsets.
Feature selection is an essential step for reducing complexity of high dimensional data, usually in preparation for developing machine learning models such as computational biomarkers. However, there are limitations associated with feature selection such as for metabolomic data where there are hundreds or even thousands of features per study participant, while the available number of participants in a clinical trials is limited. Classical methods such as exhaustive search require evaluation of all possible feature combinations, making them costly in terms of computation and runtime, or even infeasible, as feature dimensionality increases. In this study, we propose a novel Quadratic Unconstrained Binary Optimization (QUBO) coefficient formulation and pose metabolomic feature selection as a QUBO problem that selects a specified number of features by balancing their relevance against redundancy among the selected variables. To evaluate our proposed QUBO objective function, we conducted a series of experiments using Bias-Field Digitized Counterdiabatic Quantum Optimization (BF-DCQO) and Quantum Approximate Optimization Algorithm (QAOA) on a quantum gate based computer. We also compared the method to several classical methods on three metabolomic datasets associated with Autism Spectrum Disorder (ASD) on a classical computer. Our method reduces runtime compared with exhaustive search and Iterative Tabu Search (ITS) and achieves competitive performance across classifiers compared to classical filter, wrapper, and embedded methods. These results do not claim quantum advantage; rather, they establish hardware feasibility and demonstrate the current capabilities of Noisy Intermediate-Scale Quantum (NISQ) devices.
Advancements in quantum computing are fuelling emerging applications across disciplines, including finance, where quantum and quantum-inspired algorithms can now make market predictions, detect fraud, and optimize portfolios. Expanding this toolbox, we propose the selector algorithm: a method for selecting the most representative subset of data from a larger dataset. The selected subset includes data points that simultaneously meet the two requirements of being maximally close to neighboring data points and maximally far from more distant data points where the precise notion of distance is given by any kernel or generalized similarity function. The cost function encoding the above requirements naturally presents itself as a Quadratic Unconstrained Binary Optimization (QUBO) problem, which is well-suited for quantum optimization algorithms - including quantum annealing. While the selector algorithm has applications in multiple areas, it is particularly useful in finance, where it can be used to build a diversified portfolio from a more extensive selection of assets. After experimenting with synthetic datasets, we show two use cases for the selector algorithm with real data: (1) approximately reconstructing the NASDAQ 100 index using a subset of stocks, and (2) diversifying a portfolio of cryptocurrencies. In our analysis of use case (2), we compare the performance of two quantum annealers provided by D-Wave Systems.