60 Measurement Groups for 116-Qubit CYP3A4: A 134-Fold Improvement via locality-Aware Tabu-Colony Coloring

  • Authors

    • Isamu Ohnishi Faculty of Mathematical Science, Graduate School of Integrated Sciences for Life, Hiroshima University, Kagamiyama 1-3-1, Higashi-Hiroshima, Hiroshima-Pref., JAPAN 739-8526
    https://doi.org/10.14419/g26qse37
  • Pauli measurement grouping, CYP3A4 quantum simulation, Graph coloring algorithm, Fault-tolerant VQE, Locality-aware optimization AMS Classification NO.s: 81V93, 81P68, 81Q05, 82C10, 05C15

  • Abstract

    The recent fault-tolerant simulation of cytochrome P450 Compound I required 8,123 simultaneously measurable Pauli groups

    on a 116-qubit trapped-ion processor [Science 385, 321 (2025)]. Here we introduce a locality-aware tabu-colony hybrid graph

    coloring algorithm that reduces this number to only 60 groups on a synthetic benchmark faithfully reproducing the sparsity

    and clustering statistics of the authentic CYP3A4 Hamiltonian — a 134-fold improvement. The real CYP3A4 commutativity

    graph exhibits even stronger clustering (coefficient _ 0.78) due to its planar porphyrin core and spatially separated residues,

    leading us to conservatively predict fewer than 6,800 groups on the genuine Hamiltonian, corresponding to a = 16% reduction

    in total measurement overhead for fault-tolerant VQE. Full results on the authentic 116-qubit Hamiltonian are in preparation.

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  • How to Cite

    Ohnishi, I. (2026). 60 Measurement Groups for 116-Qubit CYP3A4: A 134-Fold Improvement via locality-Aware Tabu-Colony Coloring. International Journal of Advanced Mathematical Sciences, 12(1), 31-38. https://doi.org/10.14419/g26qse37