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Binary classification with adiabatic quantum optimization

Vasil S. Denchev

Published Jan 1, 2013• 4 citations
OpenAlex

Abstract

We study the problem of supervised binary classification from the perspective of deploying adiabatic quantum optimization in training. A vast body of prior academic work consisting of both theoretical and numerical studies has indicated that quantum technology promises to provide computational power that may be fundamentally superior to any classical computing methods. Given the abundance of NP-hard optimization problems that naturally arise in learning, it is clear that machine learning can immensely benefit from such an optimization tool. We describe a series of increasingly complex designs that result in computationally hard training problems of combinatorial nature. In return for accepting classical computational hardness, we retain theoretical properties such as maximal sparsity and robustness to label noise, which are otherwise sacrificed by convex methods for the sake of computational efficiency and sound theoretical footing. In order to be compatible with emerging quantum hardware technology, we formalize the training problem as quadratic unconstrained binary optimization. Our initial investigations focus on a simple training formulation with non-convex regularization that conforms to the architecture of existing quantum hardware and makes frugal use of a limited number of available physical qubits. Next, we extend this baseline formulation to a scalable algorithm, QBoost, which is able to train incrementally large-scale classifiers on data sets of practical interest. Further, we derive another algorithm, TotalQBoost, as a theoretically motivated totally corrective boosting algorithm with cardinality penalization that also makes use of quantum optimization. Both QBoost and TotalQBoost perform explicit cardinality regularization, which is the only known way of achieving maximal sparsity in the trained classifiers. We apply QBoost and TotalQBoost to three different real-world computer vision problems and make use of a quantum processor for solving the sequence of discrete optimization problems generated by one of them. Finally, we study a learning formulation with convex regularization and a non-convex loss function, q-loss, specifically designed for robust supervised learning in the presence of label noise as it occurs in practice. For compatibility with quantum hardware we derive the corresponding quadratic binary problem via variational approximation. For all proposed algorithms we compare results on a variety of popular synthetic and natural data sets against a rich selection of existing rival learning formulations.

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We study the problem of supervised binary classification from the perspective of deploying adiabatic quantum optimization in training. A vast body of prior academic work consisting of both theoretical and numerical studies has indicated that quantum technology promises to provide computational power that may be fundamentally superior to any classical computing methods. Given the abundance of NP-hard optimization problems that naturally arise in learning, it is clear that machine learning can immensely benefit from such an optimization tool. We describe a series of increasingly complex designs that result in computationally hard training problems of combinatorial nature. In return for accepting classical computational hardness, we retain theoretical properties such as maximal sparsity and robustness to label noise, which are otherwise sacrificed by convex methods for the sake of computational efficiency and sound theoretical footing. In order to be compatible with emerging quantum hardware technology, we formalize the training problem as quadratic unconstrained binary optimization. Our initial investigations focus on a simple training formulation with non-convex regularization that conforms to the architecture of existing quantum hardware and makes frugal use of a limited number of available physical qubits. Next, we extend this baseline formulation to a scalable algorithm, QBoost, which is able to train incrementally large-scale classifiers on data sets of practical interest. Further, we derive another algorithm, TotalQBoost, as a theoretically motivated totally corrective boosting algorithm with cardinality penalization that also makes use of quantum optimization. Both QBoost and TotalQBoost perform explicit cardinality regularization, which is the only known way of achieving maximal sparsity in the trained classifiers. We apply QBoost and TotalQBoost to three different real-world computer vision problems and make use of a quantum processor for solving the sequence of discrete optimization problems generated by one of them. Finally, we study a learning formulation with convex regularization and a non-convex loss function, q-loss, specifically designed for robust supervised learning in the presence of label noise as it occurs in practice. For compatibility with quantum hardware we derive the corresponding quadratic binary problem via variational approximation. For all proposed algorithms we compare results on a variety of popular synthetic and natural data sets against a rich selection of existing rival learning formulations.
We introduce a novel discrete optimization method for training in the context of a boosting framework for large scale binary classifiers. The motivation is to cast the training problem into the format required by existing adiabatic quantum hardware. First we provide theoretical arguments concerning the transformation of an originally continuous optimization problem into one with discrete variables of low bit depth. Next we propose QBoost as an iterative training algorithm in which a subset of weak classifiers is selected by solving a hard optimization problem in each iteration. A strong classifier is incrementally constructed by concatenating the subsets of weak classifiers. We supplement the findings with experiments on one synthetic and two natural data sets and compare against the performance of existing boosting algorithms. Finally, by conducting a quantum Monte Carlo simulation we gather evidence that adiabatic quantum optimization is able to handle the discrete optimization problems generated by QBoost.
We propose a non-convex training objective for robust binary classification of data sets in which label noise is present. The design is guided by the intention of solving the resulting problem by adiabatic quantum optimization. Two requirements are imposed by the engineering constraints of existing quantum hardware: training problems are formulated as quadratic unconstrained binary optimization; and model parameters are represented as binary expansions of low bit-depth. In the present work we validate this approach by using a heuristic classical solver as a stand-in for quantum hardware. Testing on several popular data sets and comparing with a number of existing losses we find substantial advantages in robustness as measured by test error under increasing label noise. Robustness is enabled by the non-convexity of our hardware-compatible loss function, which we name q-loss.
This paper describes how to make the problem of binary classification amenable to quantum computing. A formulation is employed in which the binary classifier is constructed as a thresholded linear superposition of a set of weak classifiers. The weights in the superposition are optimized in a learning process that strives to minimize the training error as well as the number of weak classifiers used. No efficient solution to this problem is known. To bring it into a format that allows the application of adiabatic quantum computing (AQC), we first show that the bit-precision with which the weights need to be represented only grows logarithmically with the ratio of the number of training examples to the number of weak classifiers. This allows to effectively formulate the training process as a binary optimization problem. Solving it with heuristic solvers such as tabu search, we find that the resulting classifier outperforms a widely used state-of-the-art method, AdaBoost, on a variety of benchmark problems. Moreover, we discovered the interesting fact that bit-constrained learning machines often exhibit lower generalization error rates. Changing the loss function that measures the training error from 0-1 loss to least squares maps the training to quadratic unconstrained binary optimization. This corresponds to the format required by D-Wave's implementation of AQC. Simulations with heuristic solvers again yield results better than those obtained with boosting approaches. Since the resulting quadratic binary program is NP-hard, additional gains can be expected from applying the actual quantum processor.
In a previous publication we proposed discrete global optimization as a method to train a strong binary classifier constructed as a thresholded sum over weak classifiers. Our motivation was to cast the training of a classifier into a format amenable to solution by the quantum adiabatic algorithm. Applying adiabatic quantum computing (AQC) promises to yield solutions that are superior to those which can be achieved with classical heuristic solvers. Interestingly we found that by using heuristic solvers to obtain approximate solutions we could already gain an advantage over the standard method AdaBoost. In this communication we generalize the baseline method to large scale classifier training. By large scale we mean that either the cardinality of the dictionary of candidate weak classifiers or the number of weak learners used in the strong classifier exceed the number of variables that can be handled effectively in a single global optimization. For such situations we propose an iterative and piecewise approach in which a subset of weak classifiers is selected in each iteration via global optimization. The strong classifier is then constructed by concatenating the subsets of weak classifiers. We show in numerical studies that the generalized method again successfully competes with AdaBoost. We also provide theoretical arguments as to why the proposed optimization method, which does not only minimize the empirical loss but also adds L0-norm regularization, is superior to versions of boosting that only minimize the empirical loss. By conducting a Quantum Monte Carlo simulation we gather evidence that the quantum adiabatic algorithm is able to handle a generic training problem efficiently.
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.
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.