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Quantum Chemistry
CVaR-Assisted Custom Penalty Function for Constrained Optimization
arXiv
Authors: Xin Wei Lee, Hoong Chuin Lau
Year
2026
Paper ID
52231
Status
Preprint
Abstract Read
~2 min
Abstract Words
225
Citations
N/A
Abstract
Constrained combinatorial optimization problems are frequently reformulated as quadratic unconstrained binary optimization (QUBO) models in order to leverage emerging quantum optimization algorithms such as the Variational Quantum Eigensolver (VQE) and the Quantum Approximate Optimization Algorithm (QAOA). However, standard QUBO formulations enforce inequality constraints through slack variables and quadratic penalties, which can significantly increase the problem size and distort the optimization landscape. In this work, we propose a slack-free penalty formulation for constrained binary optimization that eliminates auxiliary slack variables and preserves the feasibility structure of the original problem. The proposed approach introduces a nonlinear custom penalty function to enforce inequality constraints directly in the objective function. To address the computational challenges associated with evaluating nonlinear penalties in variational quantum algorithms, we employ the finite-sampling method that avoids the exponential complexity required by exact expectation computation. Furthermore, we integrate the Conditional Value-at-Risk (CVaR) objective to improve optimization robustness and guide the search toward high-quality solutions. The proposed framework is evaluated on instances of the multi-dimensional knapsack problem, a classical benchmark in combinatorial optimization. We showcase that the proposed custom-penalty formulation combined with CVaR sampling achieves improved optimality gaps and more consistent performance compared with conventional slack-based QUBO formulations. The results suggest that careful penalty design can play a critical role in enabling quantum and hybrid quantum-classical algorithms for constrained optimization problems that arise in operations research.
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- This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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- Constrained combinatorial optimization problems are frequently reformulated as quadratic unconstrained binary optimization (QUBO) models in order to leverage emerging quantum...
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