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Lecture notes on data engineering and communications technologies

Solving Feature Selection Problem by Quantum Optimization Algorithm

Anh Son Ta, Huy Phuc Nguyen Ha

Published Jan 1, 2023• 0 citations
Publisher
DOI
10.1007/978-3-031-46573-4_18

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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.
Feature selection is a pivotal step in machine learning, aimed at reducing feature dimensionality and improving model performance. Conventional feature selection methods, typically framed as NP-hard problems, focus primarily on selecting non-redundant and discriminative features but neglect how these selected features influence downstream machine learning tasks. To bridge this gap, we propose a mixed-integer non-linear programming-based integrated feature selection and logistic regression (IFSLR) model that jointly optimizes feature selection and classifier parameters. To solve the proposed IFSLR model efficiently, we reformulate it into two quantum-computing-compatible quadratic unconstrained binary optimization (QUBO) models via discretization of continuous variables and Taylor expansions, and provide a theoretical approximation guarantee for the proposed QUBO models. To adaptively optimize both the discretization step length optimization sub-problems and the parameterized QUBO sub-problems, we develop a dual-level Q-learning-guided hybrid quantum-classical algorithm that dynamically selects which sub-problem to solve. At the upper level, an adaptive Q learning agent is employed to select appropriate sub-problems during the search process. At the lower level, each iteration addresses either discretization step length optimization sub-problems or parameterized QUBO sub-problems. Experiments on the German credit dataset demonstrate that our method achieves a 10.83% improvement in accuracy and a 4.54-fold enhancement in computational efficiency on average compared with state-of-the-art methods. It also achievesF1 score improvements of 2.86% on the Wisconsin diagnostic breast cancer dataset and 7.65% on the Portuguese bank marketing dataset. The improvements further validate the effectiveness and generalizability of the proposed model and algorithm.
Quantum Support Vector Classifiers have been gaining traction in solving classification problems as it enables efficient kernel estimation and potential improvement in accuracy. To estimate the kernel matrices, a quantum kernel needs a Pauli Feature Map which encodes the classical data into the quantum state space. For a given dataset and dimension, we can have an exorbitant number of Pauli Feature Maps. Hence, finding a Pauli Feature Map that maximizes model accuracy is a research challenge. To address this optimization problem, we propose an algorithm that finds a near-optimal Pauli Feature Map by solving several sub-problems with varying numbers of decision variables and their constraints. Each sub-problem aims to find the Pauli Feature Map that maximizes the model accuracy. We use genetic algorithm to solve each sub-problem, and then select the best out of all the near-optimal Pauli Feature Maps. Instead of formulating a single optimization problem, we use this divide-and-conquer approach (of breaking down the problem into multiple sub-problems) to reduce the overall search space. To evaluate the efficiency of our algorithm, we compare it against solving each sub-problem through exhaustive approach. The latter yields the optimal Pauli Feature Map by exploring the full state space. For the scikit-learn Breast Cancer dataset with dimension 5, our algorithm converges to the optimal Pauli Feature Map in about 804 seconds which is over 4 times faster than the exhaustive approach.