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arXiv:2503.03023

Quantum Non-Linear Bandit Optimization

Zakaria Shams Siam, Chaowen Guan, Chong Liu

Published Mar 4, 2025• 0 citations
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Abstract

We study non-linear bandit optimization where the learner maximizes a black-box function with zeroth order function oracle, which has been successfully applied in many critical applications such as drug discovery and materials design. Existing works have showed that with the aid of quantum computing, it is possible to break the classical $Ω(\sqrt{T})$ regret lower bound and achieve the new $O(\mathrm{poly}\log T)$ upper bound. However, they usually assume that the objective function sits within the reproducing kernel Hilbert space and their algorithms suffer from the curse of dimensionality. In this paper, we propose the new Q-NLB-UCB algorithm which enjoys an \emph{input dimension-free} $O(\mathrm{poly}\log T)$ upper bound, making it applicable for high-dimensional tasks. At the heart of our algorithm design are quantum Monte Carlo mean estimator, parametric function approximation technique, and a new quantum non-linear regression oracle, which can be of independent interests in more quantum machine learning problems. Our algorithm is also validated for its efficiency compared with other quantum algorithms on both high-dimensional synthetic and real-world tasks.

DOI
10.48550/arxiv.2503.03023

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We study non-linear bandit optimization where the learner maximizes a black-box function with zeroth order function oracle, which has been successfully applied in many critical applications such as drug discovery and materials design. Existing works have showed that with the aid of quantum computing, it is possible to break the classical Ω(T)Ω(\sqrt{T})Ω(T​) regret lower bound and achieve the new O(polylog⁡T)O(\mathrm{poly}\log T)O(polylogT) upper bound. However, they usually assume that the objective function sits within the reproducing kernel Hilbert space and their algorithms suffer from the curse of dimensionality. In this paper, we propose the new Q-NLB-UCB algorithm which enjoys an \emph{input dimension-free} O(polylog⁡T)O(\mathrm{poly}\log T)O(polylogT) upper bound, making it applicable for high-dimensional tasks. At the heart of our algorithm design are quantum Monte Carlo mean estimator, parametric function approximation technique, and a new quantum non-linear regression oracle, which can be of independent interests in more quantum machine learning problems. Our algorithm is also validated for its efficiency compared with other quantum algorithms on both high-dimensional synthetic and real-world tasks.
We study non-linear bandit optimization where the learner maximizes a black-box function with zeroth order function oracle, which has been successfully applied in many critical applications such as drug discovery and materials design. Existing works have showed that with the aid of quantum computing, it is possible to break the classical Ω(√T) regret lower bound and achieve the new O(poly log T) upper bound. However, they usually assume that the objective function sits within the reproducing kernel Hilbert space and their algorithms suffer from the curse of dimensionality. In this paper, we propose the new Q-NLB-UCB algorithm which enjoys an input dimension-free O(poly log T) upper bound, making it applicable for high-dimensional tasks. At the heart of our algorithm design are quantum Monte Carlo mean estimator, parametric function approximation technique, and a new quantum non-linear regression oracle, which can be of independent interests in more quantum machine learning problems. Our algorithm is also validated for its efficiency compared with other quantum algorithms on both high-dimensional synthetic and real-world tasks.
Kernelized bandits, also known as Bayesian optimization (BO), has been a prevalent method for optimizing complicated black-box reward functions. Various BO algorithms have been theoretically shown to enjoy upper bounds on their cumulative regret which are sub-linear in the number T of iterations, and a regret lower bound of Omega(sqrt(T)) has been derived which represents the unavoidable regrets for any classical BO algorithm. Recent works on quantum bandits have shown that with the aid of quantum computing, it is possible to achieve tighter regret upper bounds better than their corresponding classical lower bounds. However, these works are restricted to either multi-armed or linear bandits, and are hence not able to solve sophisticated real-world problems with non-linear reward functions. To this end, we introduce the quantum-Gaussian process-upper confidence bound (Q-GP-UCB) algorithm. To the best of our knowledge, our Q-GP-UCB is the first BO algorithm able to achieve a regret upper bound of O(polylog T), which is significantly smaller than its regret lower bound of Omega(sqrt(T)) in the classical setting. Moreover, thanks to our novel analysis of the confidence ellipsoid, our Q-GP-UCB with the linear kernel achieves a smaller regret than the quantum linear UCB algorithm from the previous work. We use simulations, as well as an experiment using a real quantum computer, to verify that the theoretical quantum speedup achieved by our Q-GP-UCB is also potentially relevant in practice.
We study quantum multi-armed bandits (QMAB) and quantum linear bandits (QLB), where the learner queries each arm or action through a quantum reward oracle or its inverse. Prior work gives algorithms over horizon TTT with regret O(Klog⁡T)O(K\log T)O(KlogT) for QMAB with KKK arms and O(d2polylog⁡T)O(d^2\operatorname{polylog} T)O(d2polylogT) for ddd-dimensional QLB. This leaves open the optimal dependence on KKK and TTT and whether the dependence on ddd can be further improved. In this work, we prove the first tight minimax regret bound of Θ(Klog⁡(1+T/K))Θ(K\log(1+T/K))Θ(Klog(1+T/K)) for QMAB and the first lower bound of Ω(dlog⁡(1+T/d))Ω(d\log(1+T/d))Ω(dlog(1+T/d)) for finite-action QLB, ruling out regret independent of TTT. Our lower bounds rely on a high-confidence single-arm quantum testing lower bound for distinguishing a fixed reward mean from an interval of alternatives. A bandit-to-testing reduction then lifts it to the QMAB lower bound, while a linear embedding gives the finite-action QLB lower bound. The matching QMAB upper bound is obtained using a tail bound for the Quantum Monte Carlo (QMC) estimator. For finite-action QLB, we propose a phased elimination algorithm that combines a low-bias low-variance quantum mean estimator with a small-support GGG-optimal design through a query allocation matched to the design weights. When the action set has size poly⁡(d)\operatorname{poly}(d)poly(d), its regret is nearly linear in ddd and matches our lower bound up to polylogarithmic factors.
Abstract We explore whether quantum advantages can be found for the zeroth-order online convex optimization (OCO) problem, which is also known as bandit convex optimization with multi-point feedback. In this setting, given access to zeroth-order oracles (that is, the loss function is accessed as a black box that returns the function value for any queried input), a player attempts to minimize a sequence of adversarially generated convex loss functions. This procedure can be described as a T round iterative game between the player and the adversary. In this paper, we present quantum algorithms for the problem and show for the first time that potential quantum advantages are possible for problems of OCO. Specifically, our contributions are as follows. (i) When the player is allowed to query zeroth-order oracles O (1) times in each round as feedback, we give a quantum algorithm that achieves O ( T ) regret without additional dependence of the dimension n , which outperforms the already known optimal classical algorithm only achieving O ( n T ) regret. Note that the regret of our quantum algorithm has achieved the lower bound of classical first-order methods. (ii) We show that for strongly convex loss functions, the quantum algorithm can achieve O (log T ) regret with O (1) queries as well, which means that the quantum algorithm can achieve the same regret bound as the classical algorithms in the full information setting.
The Lipschitz bandit is a key variant of stochastic bandit problems where the expected reward function satisfies a Lipschitz condition with respect to an arm metric space. With its wide-ranging practical applications, various Lipschitz bandit algorithms have been developed, achieving the cumulative regret lower bound of order O~(T(dz+1)/(dz+2))\tilde O(T^{(d_z+1)/(d_z+2)})O~(T(dz​+1)/(dz​+2)) over time horizon TTT. Motivated by recent advancements in quantum computing and the demonstrated success of quantum Monte Carlo in simpler bandit settings, we introduce the first quantum Lipschitz bandit algorithms to address the challenges of continuous action spaces and non-linear reward functions. Specifically, we first leverage the elimination-based framework to propose an efficient quantum Lipschitz bandit algorithm named Q-LAE. Next, we present novel modifications to the classical Zooming algorithm, which results in a simple quantum Lipschitz bandit method, Q-Zooming. Both algorithms exploit the computational power of quantum methods to achieve an improved regret bound of O~(Tdz/(dz+1))\tilde O(T^{d_z/(d_z+1)})O~(Tdz​/(dz​+1)). Comprehensive experiments further validate our improved theoretical findings, demonstrating superior empirical performance compared to existing Lipschitz bandit methods.
Stochastic contextual bandits are fundamental for sequential decision-making but pose significant challenges for existing neural network-based algorithms, particularly when scaling to quantum neural networks (QNNs) due to issues such as massive over-parameterization, computational instability, and the barren plateau phenomenon. This paper introduces the Quantum Neural Tangent Kernel-Upper Confidence Bound (QNTK-UCB) algorithm, a novel algorithm that leverages the Quantum Neural Tangent Kernel (QNTK) to address these limitations. By freezing the QNN at a random initialization and utilizing its static QNTK as a kernel for ridge regression, QNTK-UCB bypasses the unstable training dynamics inherent in explicit parameterized quantum circuit training while fully exploiting the unique quantum inductive bias. For a time horizon TTT and KKK actions, our theoretical analysis reveals a significantly improved parameter scaling of Ω((TK)3)Ω((TK)^3)Ω((TK)3) for QNTK-UCB, a substantial reduction compared to Ω((TK)8)Ω((TK)^8)Ω((TK)8) required by classical NeuralUCB algorithms for similar regret guarantees. Empirical evaluations on non-linear synthetic benchmarks and quantum-native variational quantum eigensolver tasks demonstrate QNTK-UCB's superior sample efficiency in low-data regimes. This work highlights how the inherent properties of QNTK provide implicit regularization and a sharper spectral decay, paving the way for achieving ``quantum advantage'' in online learning.