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Journal of Computational and Applied Mathematics

QUBO for training regression models

M. Caruso, Daniel Escánez-Expósito, Pino Caballero‐Gil, Carlos Kuchkovsky

Published Apr 2, 2026• 0 citations
Publisher

Abstract

A constantly increasing number of parameters in modern machine learning models has become a significant bottleneck in their efficient training, resulting in a disproportionate consumption of resources, expressed in terms of energy and computational time. The vast majority of such resources are allocated to the training phase rather than the inference stage, leading to an inefficient process [1] , [2] , [3] . This study addresses this problem by introducing a quantum alternative for training machine learning models, formalized as a Quadratic Unconstrained Binary Optimization ( QUBO ) problem. Adiabatic quantum computers have shown promise in approximately solving certain NP -hard problems, such as QUBO , potentially offering speed advantages over classical computers in specific scenarios [ 4 , 5, [6] , [7] ]. Given that many machine learning problems are also NP -hard, adiabatic quantum computers could play a pivotal role in efficiently training machine learning models. Furthermore, inspired by the ones’ complement binary numeral system, this work includes the proposal of an efficient binary-to-decimal encoding, which improves data representation in the quantum context. A concrete implementation of a regression training problem on specific quantum hardware is also presented here, the results of which suggest that the adoption of quantum techniques in model training allows not only to address the problem of parameter explosion but also to offer promising prospects for significantly accelerate the training process by exploiting the unique properties of quantum computation.

DOI
10.1016/j.cam.2026.117652

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A constantly increasing number of parameters in modern machine learning models has become a significant bottleneck in their efficient training, resulting in a disproportionate consumption of resources, expressed in terms of energy and computational time. The vast majority of such resources are allocated to the training phase rather than the inference stage, leading to an inefficient process [1] , [2] , [3] . This study addresses this problem by introducing a quantum alternative for training machine learning models, formalized as a Quadratic Unconstrained Binary Optimization ( QUBO ) problem. Adiabatic quantum computers have shown promise in approximately solving certain NP -hard problems, such as QUBO , potentially offering speed advantages over classical computers in specific scenarios [ 4 , 5, [6] , [7] ]. Given that many machine learning problems are also NP -hard, adiabatic quantum computers could play a pivotal role in efficiently training machine learning models. Furthermore, inspired by the ones’ complement binary numeral system, this work includes the proposal of an efficient binary-to-decimal encoding, which improves data representation in the quantum context. A concrete implementation of a regression training problem on specific quantum hardware is also presented here, the results of which suggest that the adoption of quantum techniques in model training allows not only to address the problem of parameter explosion but also to offer promising prospects for significantly accelerate the training process by exploiting the unique properties of quantum computation.
A major challenge in machine learning is the computational expense of training these models. Model training can be viewed as a form of optimization used to fit a machine learning model to a set of data, which can take up significant amount of time on classical computers. Adiabatic quantum computers have been shown to excel at solving optimization problems, and therefore, we believe, present a promising alternative to improve machine learning training times. In this paper, we present an adiabatic quantum computing approach for training a linear regression model. In order to do this, we formulate the regression problem as a quadratic unconstrained binary optimization (QUBO) problem. We analyze our quantum approach theoretically, test it on the D-Wave adiabatic quantum computer and compare its performance to a classical approach that uses the Scikit-learn library in Python. Our analysis shows that the quantum approach attains up to [Formula: see text] speedup over the classical approach on larger datasets, and performs at par with the classical approach on the regression error metric. The quantum approach used the D-Wave 2000Q adiabatic quantum computer, whereas the classical approach used a desktop workstation with an 8-core Intel i9 processor. As such, the results obtained in this work must be interpreted within the context of the specific hardware and software implementations of these machines.
Training machine learning models on classical computers is usually a time and compute intensive process. With Moore's law nearing its inevitable end and an ever-increasing demand for large-scale data analysis using machine learning, we must leverage non-conventional computing paradigms like quantum computing to train machine learning models efficiently. Adiabatic quantum computers can approximately solve NP-hard problems, such as the quadratic unconstrained binary optimization (QUBO), faster than classical computers. Since many machine learning problems are also NP-hard, we believe adiabatic quantum computers might be instrumental in training machine learning models efficiently in the post Moore's law era. In order to solve problems on adiabatic quantum computers, they must be formulated as QUBO problems, which is very challenging. In this paper, we formulate the training problems of three machine learning models-linear regression, support vector machine (SVM) and balanced k-means clustering-as QUBO problems, making them conducive to be trained on adiabatic quantum computers. We also analyze the computational complexities of our formulations and compare them to corresponding state-of-the-art classical approaches. We show that the time and space complexities of our formulations are better (in case of SVM and balanced k-means clustering) or equivalent (in case of linear regression) to their classical counterparts.
Machine learning model training, which ultimately optimizes a model’s cost function is usually a time- consuming and computationally intensive process on classical computers. This has been more intense due to the in- creased demand for large-scale data analysis, requiring unconventional computing paradigms like quantum computing to enhance training efficiency. Adiabatic quantum computers have excelled at solving optimization problems, which require the quadratic unconstrained binary optimization (QUBO) format of the problem of interest. In this study, the squared error minimization in the multiple linear regression model is reformulated as a QUBO problem enabling it to be solved using D-wave adiabatic quantum computers. Same formulation was used to obtain a solution using gate-based algorithms such as quantum approximate optimization algorithm (QAOA) and sampling variational quantum eigensolver (VQE) im- plemented via IBM Qiskit. The results obtained through these approaches in the context of runtime and mean squared error(MSE) were analyzed and compared to the classical approaches. Our experimental results indicate a runtime ad- vantage in the D-wave annealing approach over the classical Scikit learn regression approach. The time advantage can be observed when N>524288 compared to Sklearn Linear Regression and when N>65536 compared to Sklearn SGDRegressor. Support vector machine induced neural networks, where the margin-based entropy loss is converted into a QUBO with Lagrangian approach is also focused in this study concerning the applicability for nonlinear models.
Abstract Support vector machine (SVM) is a powerful supervised machine learning model that is often used in binary classification algorithms. As Moore’s Law approaches its theoretical limits and the demand for machine learning to handle large-scale, high-dimensional data analysis intensifies, the necessity of adopting non-traditional computational approaches becomes evident. Quantum computing, in particular, emerges as a vital solution for the effective training of SVM models, providing capabilities beyond those of classical computing systems. To solve the above problems, a QUBO (quadratic unconstrained binary optimization) model is proposed to transform the SVM machine learning model into a quadratic unconstrained binary optimization problem so that they can be effectively trained on the D-Wave platform using adiabatic quantum computer. The results show that the QUBO model can transform the SVM model into a simple quadratic programming problem, which makes it suitable for adiabatic quantum computer processing. When processing large-scale and high-dimensional data, this transformation shows a natural advantage and significantly improves computational efficiency. The application potential of this transformation technology is huge in the medical field.
Advances in artificial intelligence (AI) and deep learning have raised concerns about its increasing energy consumption, while demand for deploying AI in mobile devices and machines at the edge is growing. Binary neural networks (BNNs) have recently gained attention as energy and memory efficient models suitable for resource constrained environments; however, training BNNs exactly is computationally challenging because of its discrete characteristics. Recent work proposing a framework for training BNNs based on quadratic unconstrained binary optimisation (QUBO) and progress in the design of Ising machines for solving QUBO problems suggest a potential path to efficiently optimising discrete neural networks. In this work, we extend existing QUBO models for training BNNs to accommodate arbitrary network topologies and propose two novel methods for regularisation. The first method maximises neuron margins biasing the training process toward parameter configurations that yield larger pre-activation magnitudes. The second method employs a dropout-inspired iterative scheme in which reduced subnetworks are trained and used to adjust linear penalties on network parameters. We apply the proposed QUBO formulation to a small binary image classification problem and conduct computational experiments on a GPU-based Ising machine. The numerical results indicate that the proposed regularisation terms modify training behaviour and yield improvements in classification accuracy on data not present in the training set.
Quantum computing promises to have a tremendous advantage over its classical counterpart for solving computationally hard problems, yet remains in a relatively early stage for practical applications owing to the limited capabilities of today’s quantum computers. The approach to the special purposes of quantum computers by exploiting the special-purpose physics-inspired or quantum-inspired computers is emerging as a novel alternative to its quantum counterpart in tackling hard problems in high-performance computing. Inspired by physics, the Ising machine — a type of special-purpose computer that implements or emulates physics or quantum effects of the Ising model to speed up finding solutions to optimization problems — has recently become an active research area in the field of combinatorial optimization. This paper is to address the key enabling software and hardware technology underlying physics-inspired optimization using Ising machines in the unified quadratic unconstrained binary optimization (QUBO) framework for modeling and solving computationally hard combinatorial optimization problems, and with an aim to shed some light on the challenges and opportunities associated with the ever-growing landscape of this novel high-performance computing.