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Machine Learning-Driven Optimization for Utility-scale Quantum Optimization

Bao D. Tran

Published Jan 1, 2025• 0 citations
Publisher

Abstract

Hard combinatorial optimization problems, often mapped to Ising models, promise potential solutions with quantum advantage but are constrained by limited qubit counts in near-term devices. We present an innovative quantum-inspired framework that dynamically compresses large Ising models to fit available quantum hardware of different sizes. Thus, we aim to bridge the gap between large-scale optimization and current hardware capabilities. Our method leverages a physics-inspired GNN architecture to capture complex interactions in Ising models and accurately predict alignments among neighboring spins (aka qubits) at ground states. By progressively merging such aligned spins, we can reduce the model size while preserving the underlying optimization structure. It also provides a natural trade-off between the solution quality and size reduction, meeting different hardware constraints of quantum computing devices. Extensive numerical studies on Ising instances of diverse topologies show that our method can reduce instance size at multiple levels with virtually no losses in solution quality on the latest D-Wave quantum annealers. Additionally, we demonstrate that GNN architectures can address the parameter initialization challenge in variational quantum algorithms, specifically QAOA for MaxCut problems, by learning structure-to-parameter mappings that achieve performance comparable with physics-based heuristics when trained on sufficiently large datasets.

DOI
10.25772/af6k-s554

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Hard combinatorial optimization problems, often mapped to Ising models, promise potential solutions with quantum advantage but are constrained by limited qubit counts in near-term devices. We present an innovative quantum-inspired framework that dynamically compresses large Ising models to fit available quantum hardware of different sizes. Thus, we aim to bridge the gap between large-scale optimization and current hardware capabilities. Our method leverages a physics-inspired GNN architecture to capture complex interactions in Ising models and accurately predict alignments among neighboring spins (aka qubits) at ground states. By progressively merging such aligned spins, we can reduce the model size while preserving the underlying optimization structure. It also provides a natural trade-off between the solution quality and size reduction, meeting different hardware constraints of quantum computing devices. Extensive numerical studies on Ising instances of diverse topologies show that our method can reduce instance size at multiple levels with virtually no losses in solution quality on the latest D-Wave quantum annealers. Additionally, we demonstrate that GNN architectures can address the parameter initialization challenge in variational quantum algorithms, specifically QAOA for MaxCut problems, by learning structure-to-parameter mappings that achieve performance comparable with physics-based heuristics when trained on sufficiently large datasets.
Hard combinatorial optimization problems, often mapped to Ising models, promise potential solutions with quantum advantage but are constrained by limited qubit counts in near-term devices. We present an innovative quantum-inspired framework that dynamically compresses large Ising models to fit available quantum hardware of different sizes. Thus, we aim to bridge the gap between large-scale optimization and current hardware capabilities. Our method leverages a physics-inspired GNN architecture to capture complex interactions in Ising models and accurately predict alignments among neighboring spins (aka qubits) at ground states. By progressively merging such aligned spins, we can reduce the model size while preserving the underlying optimization structure. It also provides a natural trade-off between the solution quality and size reduction, meeting different hardware constraints of quantum computing devices. Extensive numerical studies on Ising instances of diverse topologies show that our method can reduce instance size at multiple levels with virtually no losses in solution quality on the latest D-wave quantum annealers.
Quantum computers hold the promise of more efficient combinatorial optimization solvers, which could be game-changing for a broad range of applications. However, a bottleneck for materializing such advantages is that, in order to challenge classical algorithms in practice, mainstream approaches require a number of qubits prohibitively large for near-term hardware. Here we introduce a variational solver for MaxCut problems over m=O(nk)m={{\mathcal{O}}}({n}^{k})m=O(nk) binary variables using only n qubits, with tunable k > 1. The number of parameters and circuit depth display mild linear and sublinear scalings in m, respectively. Moreover, we analytically prove that the specific qubit-efficient encoding brings in a super-polynomial mitigation of barren plateaus as a built-in feature. Altogether, this leads to high quantum-solver performances. For instance, for m = 7000, numerical simulations produce solutions competitive in quality with state-of-the-art classical solvers. In turn, for m = 2000, experiments with n = 17 trapped-ion qubits feature MaxCut approximation ratios estimated to be beyond the hardness threshold 0.941. Our findings offer an interesting heuristics for quantum-inspired solvers as well as a promising route towards solving commercially-relevant problems on near-term quantum devices. Combinatorial optimization problems might be solvable more efficiently with quantum computing, but near-term quantum optimization solvers are limited in qubit size. Here, the authors propose and demonstrate a variational quantum algorithm that polynomially reduces the qubit overhead for applications like MaxCut.
The training of large-scale machine learning models presents significant computational challenges, primarily due to the inherent complexity of optimization algorithms like stochastic gradient descent (SGD) and its variants. These algorithms often struggle with convergence speed, getting trapped in local minima, and the ability to effectively explore the vast solution space. This paper investigates the potential of quantum-inspired optimization techniques to address these limitations. Specifically, we explore the application of quantum annealing and variational quantum eigensolver (VQE) approaches to accelerate the training and optimization process of large-scale machine learning models. Our core claim is that by mapping the optimization problem to a quantum system, we can leverage quantum computation to overcome the computational bottlenecks associated with classical optimization methods. We propose a framework where the objective function of the machine learning model is translated into a Hamiltonian for a quantum annealer or the cost function for a VQE, enabling a quantum-inspired solution. The results, while theoretical in this initial exploration, demonstrate a potential pathway for significantly reducing training times and improving the overall performance of large-scale machine learning models. Further research is needed to develop efficient hybrid quantum-classical algorithms and explore the practical limitations of this approach.
The convergence of machine learning (ML) and quantum computing is quickly becoming a game-changing new frontier in computational science. The most intriguing area of overlap may be quantum optimization, which seeks to reduce the exponentially increasing complexity and computational cost of ML algorithms. As they grow larger and more complicated, traditional optimization methods, particularly in high-dimensional and non-convex space, will inevitably hit performance limits. Quantum optimization is the whole new paradigm that leverages quantum mechanical effects like superposition, entanglement, and tunnelling to explore solution spaces more efficiently. The chapter outlines the theory, practice, and potential of hybrid quantum-classical optimization algorithms for machine learning. The most brilliant research direction in the current NISQ (noisy intermediate-scale quantum) era is mixed systems leveraging classical computing capability augmented by quantum capacity. In such designs, computationally intensive subroutines like optimization for global optima or escape from local minima are left to quantum processors and data preprocessing, iterative refinement, and model testing are performed by classical processors. We start by defining the fundamental principles of quantum computing and acquainting readers with the fundamentals like qubits, quantum gates, and quantum circuits. These are the building blocks for quantum algorithms, which hopefully can be utilized for optimization, for example, the QAOA (quantum approximate optimization algorithm), the VQE (variational quantum Eigensolver), and quantum annealing. They all build to optimize the problems in some way differently: QAOA through parameterized quantum circuits, VQE through approximations of ground states of the Hamiltonians, and quantum annealing through quantum evolution to low-energy solutions. We then form a loop between these quantum algorithms and regular machine learning tasks. Optimization impacts virtually all ML phases, from training neural networks, where one reduces loss functions; feature selection, where one aims to discover the most relevant subset of input variables; and hyperparameter optimization, which often involves expensive search procedures over extremely large combinatorial spaces. Quantum optimization techniques can therefore, in principle, accelerate such procedures through computational complexity reduction and enhancing solutions over challenging landscapes. Realistic simulations and case studies emphasize the degree to which hybrid quantum-classical algorithms have been employed in solving ML problems, that is, QSVMs, quantum-enhanced clustering, and quantum reinforcement learning. Despite their experimental nature, these applications already show encouraging results in terms of improved performance metrics as well as reduction in time-to-solution compared to classical-only solutions. Notwithstanding that, this new field is not bereft of real challenges. Quantum hardware suffers from hard limits on qubit fidelity, decoherence, and scalability in the current times. Furthermore, quantum circuit integration into broad ML pipelines requires novel architectures and software platforms. As a counter to those issues, this chapter surveys recent advances in quantum programming languages, simulators, and hybrid platforms like PennyLane, Qiskit, and TensorFlow Quantum. We conclude by looking to the future possibility that quantum optimization will revolutionize the machine learning landscape. As hardware improves and algorithmic complexity increases, the possibility of quantum-powered learning systems solving hard problems becomes increasingly accessible. From speeding up deep network training to enabling new types of unsupervised learning, quantum optimization holds the potential to recast computational tractability in machine learning. This chapter is an all-encompassing introduction and state-of-the-art work for students, researchers, and practitioners interested in using quantum optimization for practical ML applications. It sets the foundation for understanding how to pursue hybrid approaches (how they may be applied today in the real world and bracing oneself for disruption in the future).
Quantum Optimization (QO) is emerging as a promising approach to tackle hard combinatorial optimization problems by leveraging the unique computational properties of quantum hardware. In recent years, QO has gained traction in Machine Learning (ML), where problems such as clustering and vector quantization can be naturally expressed as Quadratic Unconstrained Binary Optimization (QUBO) problems. These ML applications often involve complex, high-dimensional data, which directly influences both the structure and scale of the resulting QUBO formulations. However, current quantum devices fall under the category of Noisy Intermediate-Scale Quantum (NISQ) hardware, which imposes significant limitations on qubit counts and small error rates. This dissertation investigates the impact of data complexity and data scale—as encountered in ML settings—on the effectiveness and feasibility of QO on NISQ devices. We propose novel, hardware-aware methods to overcome these challenges. The first part of this thesis focuses on the effect of data complexity for QO. We analyze how problem structure—particularly when QUBO formulations are derived from ML tasks—affects quantum solvability. We identify the spectral gap as a key factor in the success of adiabatic quantum algorithms and provide a theoretical and empirical analysis linking data-induced complexity to optimization performance.To address noise sensitivity and limited precision, we introduce a preprocessing framework based on a principled Branch-and-Bound algorithm that reduces dynamic range while preserving global optima. This improves robustness on both quantum annealers and classical solvers. In the second part, the thesis addresses challenges introduced by data scale. First, we propose a recursive Divide-and-Conquer strategy that breaks down large QUBO problems into tractable subproblems, demonstrated through an application to Bundle Adjustment in 3D scene reconstruction. Second, we introduce a variable and constraint generation method inspired by column generation for Integer Linear Programming, enabling dynamic QUBO size growth. This technique is successfully applied to Multi-Agent Pathfinding, where it scales well on NISQ devices while maintaining compatibility with classical solvers. Finally, we explore QUBO reformulations that reduce problem size through compact encodings and cyclic expansion, enabling the use of quantum hardware for tasks such as FPGA placement in chip design. Across all contributions, the developed algorithms are evaluated both theoretically and empirically, with experiments conducted on real quantum and quantum-inspired hardware. These methods significantly improve solution quality, scalability, and hardware compatibility, paving the way for more effective use of QO in practical settings. While tailored for NISQ era constraints, the results remain relevant for fault-tolerant quantum computing, offering insights into the long-term viability of QO across hardware generations.
This chapter investigates the application of quantum computing to optimization, a field traditionally dominated by classical methods but increasingly limited by computational demands in tackling complex, large-scale problems. The discussion focuses on quantum optimization techniques, particularly variational quantum algorithms like the Quantum Approximate Optimization Algorithm (QAOA) and the variational quantum eigensolver (VQE), along with quantum annealing (QA), a process inspired by physical annealing that leverages quantum tunnelling and superposition. The chapter also explores the integration of quantum approaches within machine learning frameworks, where quantum algorithms can potentially accelerate model training and enhance capabilities. Additionally, it presents practical applications and challenges associated with these quantum algorithms, covering their effectiveness on noisy intermediate-scale quantum (NISQ) devices and the evolving landscape of quantum hardware. This chapter concludes with insights into quantum optimization's future potential to address optimization and machine learning challenges that are currently intractable for classical methods, marking a significant shift in computational science.