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Nicolas Mendes de Araujo

Publications and source records attributed to Nicolas Mendes de Araujo.

2 recordsLinked to original sources

Resource-Efficient Hybrid Quantum Neighborhood Selection for Large-Scale Molecular Diversity Optimization

Large-scale combinatorial optimization remains demanding for classical heuristics, particularly when dense Quadratic Unconstrained Binary Optimization (QUBO) formulations induce large memory footprints, high CPU utilization, and long execution times. While near-term quantum processors cannot yet deliver unconditional quantum advantage, hybrid architectures can provide practical value by reducing the resource burden. This paper presents a resource-efficiency study of Hybrid Quantum Neighborhood Selection (HQNS), a framework that decomposes large dense QUBO instances into bounded-width quantum subproblems via stochastic frontier selection. We evaluate HQNS on the Maximum Diversity Subset Selection Problem (MDSSP), focusing on the trade-off between solution quality retention and resource consumption. Benchmarks up to N=1000 candidates show that HQNS preserves 99.9908% of the mean diversity score of an 11-restart parallel Simulated Annealing baseline, while reducing wall-clock time by 94.91%, peak CPU utilization by 64.68%, and peak memory usage by 88.61%. The QPU execution time remains bounded within a 6-7 second envelope across scales, indicating that the quantum component is decoupled from the global QUBO dimension when the frontier size is fixed. These results suggest that HQNS provides a resource-aware pathway for deploying hybrid quantum optimization in practical large-scale settings, serving as an efficient architecture for incorporating near-term quantum processors into classical optimization pipelines.

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Hybrid Quantum Neighborhood Selection: NISQ-Compatible Combinatorial Optimization via Stochastic Frontier Decomposition

Large-scale combinatorial optimization is a challenge for near-term quantum computing because dense Quadratic Unconstrained Binary Optimization (QUBO) formulations yield interaction graphs that exceed the limits of NISQ processors. This work introduces Hybrid Quantum Neighborhood Selection (HQNS), a hybrid framework mitigating this via stochastic frontier decomposition. Instead of encoding all N variables into a monolithic circuit, HQNS selects a compact frontier of F << N active variables per stage, freezing the rest into reduced QUBO coefficients. A multi-stage crawling procedure rotates these frontiers, letting local quantum subproblems refine a global solution. We evaluate HQNS on the Maximum Diversity Subset Selection Problem (MDSSP) across six scales, N up to 1000. Circuit burden is reduced from the dense QAOA requirement of O(N^2) two-qubit terms per layer to O(F^2) per stage, with total complexity governed by the number of stages and classical overhead. Benchmarks show that HQNS achieves competitive solution quality relative to parallel simulated annealing (SA) while maintaining bounded circuit width and stable QPU time. In the N=1000 benchmark over ten executions, HQNS preserves 99.9908% of the mean diversity score of an 11-restart parallel SA baseline, while reducing wall-clock time by 65.03%, peak CPU usage by 55.97%, and peak memory by 35.21%. Ablation shows performance depends on frontier size, warm-starts, CVaR filtering, and stochastic rotation. These results demonstrate that structured frontier decomposition makes variational optimization executable for dense QUBO instances unsuitable for direct QAOA on present hardware.

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