Life sciences · Preprint
arXiv · September 4, 2026
Early or partial results. Treat as a signal, not a conclusion.
This preprint presents algorithmic advances for reducing QUBO formulations of the CVRPTW via adaptive penalty calibration and a GNN-based coarsening heuristic, tested on the Solomon benchmark using simulated annealing and D-Wave hardware. The work demonstrates improved feasibility rates and constraint satisfaction over hand-tuned baselines, but does not establish superiority in solution quality or provide evidence of practical advantage over classical methods.
Uncontrolled comparative algorithm evaluation on fixed benchmark using simulated annealing and quantum hardware.. Solomon CVRPTW benchmark instances (R-type, C-type, RC-type families) with problem sizes ranging from N=10 to N=100 customers.. Intervention: Adaptive penalty calibration (removing non-binding constraints, normalizing binding constraints, scaling penalties) and GNN-guided graph coarsening heuristic.. Compared with: Hand-tuned merge-score coarsening heuristic; simulated annealing; classical repair with local search (mentioned but not quantified).. Not stated..
Adaptive penalty calibration reduced mean raw constraint violations from 33.0 to 0.06 at fixed solver budget (p=3.7e-11, n=56). GNN-guided coarsening achieved 100% feasibility at N=10 across all Solomon families, compared to 80% for tuned heuristic. Across N=10 to 100, GNN feasibility was 83% vs. 69% for tuned heuristic, with GNN better or tied on 85/90 instance-size pairs.
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Early-stage algorithmic work combining GNN-guided heuristics with quantum annealing on a benchmark set; no peer review, no comparison to established classical baselines for solution quality, and limited to proof-of-concept feasibility metrics.
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Graph coarsening reduces the large Quadratic Unconstrained Binary Optimization (QUBO) formulations arising when vehicle-routing problems are solved by quantum annealing. Nearby customers with compatible time windows are merged into super-nodes, the reduced problem is solved, and the solution is expanded to the original graph. For the Capacitated Vehicle Routing Problem with Time Windows (CVRPTW), existing coarsening heuristics require family-specific tuning and remain unreliable on random instances. We address these limitations on the Solomon benchmark using simulated annealing and a D-Wave Advantage2 processor. We first introduce adaptive penalty calibration. Uniform penalty scaling has little effect, whereas controlling the internal coefficient range substantially improves raw samples. Removing non-binding constraints, normalising binding ones, and scaling the remaining penalties reduces mean raw constraint violations from 33.0 to 0.06 at the same solver budget (p=3.7e-11, n=56). A variable-count-preserving control attributes this gain to conditioning rather than problem size. Second, we replace the hand-tuned merge score with a graph neural network (GNN) using one configuration across all families. At N=10, it achieves 100% feasibility across all Solomon families, including R-type (100% vs. 80% for the tuned heuristic). Across N=10,...,100, feasibility is 83% vs. 69%, with the GNN better or tied on 85/90 instance-size pairs. At N=80,100, the difference is significant (p=0.002; 25/25 pairs), while the QUBO remains approximately 5-6 times smaller. Finally, hardware experiments reproduce the conditioning effect at fixed logical variable count: feasible samples increase from 0.02% to 39% across 13 instances. Classical repair with local search remains a reference bound for end-to-end solution cost.
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