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arXiv:0811.0416

Training a Binary Classifier with the Quantum Adiabatic Algorithm

Hartmut Neven, Vasil S. Denchev, Geordie Rose, William G. Macready

Published Nov 4, 2008• 71 citations
arXivHTMLPDF

Abstract

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.

DOI
10.48550/arxiv.0811.0416

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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.
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 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.
Many artificial intelligence (AI) problems naturally map to NP-hard optimization problems. This has the interesting consequence that enabling human-level capability in machines often requires systems that can handle formally intractable problems. This issue can sometimes (but possibly not always) be resolved by building special-purpose heuristic algorithms, tailored to the problem in question. Because of the continued difficulties in automating certain tasks that are natural for humans, there remains a strong motivation for AI researchers to investigate and apply new algorithms and techniques to hard AI problems. Recently a novel class of relevant algorithms that require quantum mechanical hardware have been proposed. These algorithms, referred to as quantum adiabatic algorithms, represent a new approach to designing both complete and heuristic solvers for NP-hard optimization problems. In this work we describe how to formulate image recognition, which is a canonical NP-hard AI problem, as a Quadratic Unconstrained Binary Optimization (QUBO) problem. The QUBO format corresponds to the input format required for D-Wave superconducting adiabatic quantum computing (AQC) processors.
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.
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.