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arXiv:1803.02886

Quantum-assisted cluster analysis

Florian Neukart, David Von Dollen, Christian Seidel

Published Mar 7, 2018• 5 citations
arXivHTMLPDF

Abstract

We present an algorithm for quantum-assisted cluster analysis (QACA) that makes use of the topological properties of a D-Wave 2000Q quantum processing unit (QPU). Clustering is a form of unsupervised machine learning, where instances are organized into groups whose members share similarities. The assignments are, in contrast to classification, not known a priori, but generated by the algorithm. We explain how the problem can be expressed as a quadratic unconstrained binary optimization (QUBO) problem, and show that the introduced quantum-assisted clustering algorithm is, regarding accuracy, equivalent to commonly used classical clustering algorithms. Quantum annealing algorithms belong to the class of metaheuristic tools, applicable for solving binary optimization problems. Hardware implementations of quantum annealing, such as the quantum annealing machines produced by D-Wave Systems, have been subject to multiple analyses in research, with the aim of characterizing the technology's usefulness for optimization, sampling, and clustering. Our first and foremost aim is to explain how to represent and solve parts of these problems with the help of the QPU, and not to prove supremacy over every existing classical clustering algorithm.

DOI
10.48550/arxiv.1803.02886

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We present an algorithm for quantum-assisted cluster analysis (QACA) that makes use of the topological properties of a D-Wave 2000Q quantum processing unit (QPU). Clustering is a form of unsupervised machine learning, where instances are organized into groups whose members share similarities. The assignments are, in contrast to classification, not known a priori, but generated by the algorithm. We explain how the problem can be expressed as a quadratic unconstrained binary optimization (QUBO) problem, and show that the introduced quantum-assisted clustering algorithm is, regarding accuracy, equivalent to commonly used classical clustering algorithms. Quantum annealing algorithms belong to the class of metaheuristic tools, applicable for solving binary optimization problems. Hardware implementations of quantum annealing, such as the quantum annealing machines produced by D-Wave Systems, have been subject to multiple analyses in research, with the aim of characterizing the technology's usefulness for optimization, sampling, and clustering. Our first and foremost aim is to explain how to represent and solve parts of these problems with the help of the QPU, and not to prove supremacy over every existing classical clustering algorithm.
We present an algorithm for quantum-assisted cluster analysis (QACA) that makes use of the topological properties of a D-Wave 2000Q quantum processing unit (QPU). Clustering is a form of unsupervised machine learning, where instances are organized into groups whose members share similarities. The assignments are, in contrast to classification, not known a priori, but generated by the algorithm. We explain how the problem can be expressed as a quadratic unconstrained binary optimization (QUBO) problem, and show that the introduced quantum-assisted clustering algorithm is, regarding accuracy, equivalent to commonly used classical clustering algorithms. Quantum annealing algorithms belong to the class of metaheuristic tools, applicable for solving binary optimization problems. Hardware implementations of quantum annealing, such as the quantum annealing machines produced by D-Wave Systems [1], have been subject to multiple analyses in research, with the aim of characterizing the technology’s usefulness for optimization, sampling, and clustering [2–16, 38]. Our first and foremost aim is to explain how to represent and solve parts of these problems with the help of the QPU, and not to prove supremacy over every existing classical clustering algorithm.
This paper explores the applications of quantum annealing (QA) and classical simulated annealing (SA) to a suite of combinatorial optimization problems in machine learning, namely feature selection, instance selection, and clustering. We formulate each task as a Quadratic Unconstrained Binary Optimization (QUBO) problem and implement both quantum and classical solvers to compare their effectiveness. For feature selection, we propose several QUBO configurations that balance feature importance and redundancy, showing that quantum annealing (QA) produces solutions that are computationally more efficient. In instance selection, we propose a few novel heuristics for instance-level importance measures that extend existing methods. For clustering, we embed a classical-to-quantum pipeline, using classical clustering followed by QUBO-based medoid refinement, and demonstrate consistent improvements in cluster compactness and retrieval metrics. Our results suggest that QA can be a competitive and efficient tool for discrete machine learning optimization, even within the constraints of current quantum hardware.
This work presents a hybrid quantum-classical algorithm to perform clustering aggregation, designed for neutral-atoms quantum computers and quantum annealers. Clustering aggregation is a technique that mitigates the weaknesses of clustering algorithms, an important class of data science methods for partitioning datasets, and is widely employed in many real-world applications. By expressing the clustering aggregation problem instances as a Maximum Independent Set (MIS) problem and as a Quadratic Unconstrained Binary Optimization (QUBO) problem, it was possible to solve them by leveraging the potential of Pasqal's Fresnel (neutral-atoms processor) and D-Wave's Advantage QPU (quantum annealer). Additionally, the designed clustering aggregation algorithm was first validated on a Fresnel emulator based on QuTiP and later on an emulator of the same machine based on tensor networks, provided by Pasqal. The results revealed technical limitations, such as the difficulty of adding additional constraints on the employed neutral-atoms platform and the need for better metrics to measure the quality of the produced clusterings. However, this work represents a step towards a benchmark to compare two different machines: a quantum annealer and a neutral-atom quantum computer. Moreover, findings suggest promising potential for future advancements in hybrid quantum-classical pipelines, although further improvements are needed in both quantum and classical components.
In this paper, we propose a new quantum version of the Balanced K-means algorithm in the D-wave quantum annealer. D-wave 2000Q quantum computer has been used by many papers in the last few years to solve optimization problems and for finding the global minimum of the balanced K-means optimization problem. However, in this paper, we modify the quadratic unconstrained binary optimization (QUBO) formulation of the Balanced K-means that has been proposed in a recent paper. Our modification is trained on different data sets: Iris, Wine and Breast Cancer. Also, we performed a comparative analysis between the two approaches (our approach and the paper's approach) to find the one that assigns the largest number of data to clusters and we also use the Davies-Bouldi metric to prove that our method gives the best clustering.
Abstract Unsupervised visual clustering has garnered significant attention recently, aiming to characterize distributions of unlabeled visual images through clustering based on a parameterized appearance approach. Alternatively, clustering algorithms can be viewed as assignment problems where an unlabelled sample needs to be assigned into a specific cluster. This problem can be formulated as Quadratic Unconstrained Binary Optimization that is characterized as NP-hard, yet precisely solvable for small instances on contemporary hardware. Adiabatic quantum computing (AQC) emerges as a promising solution to offer a good speed in solving the NP-hard optimization problems. However, existing clustering approaches face challenges in designing the problems to be solved by the quantum computer. In this study, we present the first clustering formulation tailored for resolution using Adiabatic quantum computing. An Ising model is introduced to represent the quantum mechanical system implemented on AQC. The proposed approach demonstrates high competitiveness compared to state-of-the-art optimization-based methods, even when utilizing off-the-shelf integer programming solvers. Lastly, this work showcases the solvability of the proposed clustering problem on current-generation real quantum computers for small examples and analyzes the properties of the obtained solutions.
Quantum annealing devices such as the ones produced by D-Wave systems are typically used for solving optimization and sampling tasks, and in both academia and industry the characterization of their usefulness is subject to active research. Any problem that can naturally be described as a weighted, undirected graph may be a particularly interesting candidate, since such a problem may be formulated a as quadratic unconstrained binary optimization (QUBO) instance, which is solvable on D-Wave's Chimera graph architecture. In this paper, we introduce a quantum-assisted finite-element method for design optimization. We show that we can minimize a shape-specific quantity, in our case a ray approximation of sound pressure at a specific position around an object, by manipulating the shape of this object. Our algorithm belongs to the class of quantum-assisted algorithms, as the optimization task runs iteratively on a D-Wave 2000Q quantum processing unit (QPU), whereby the evaluation and interpretation of the results happens classically. Our first and foremost aim is to explain how to represent and solve parts of these problems with the help of a QPU, and not to prove supremacy over existing classical finite-element algorithms for design optimization.