A Validation Framework for Quantum Simulation of Spin Dynamics against Inelastic Neutron Scattering and Classical Simulation

Abstract: Quantitative validation of quantum simulations of dynamical spin response remains challenging because experiment, classical simulation, and quantum simulation do not produce the same native observables. This problem has become increasingly important as quantum simulation protocols for dynamical response have progressed from theory to hardware-level benchmarking against neutron-scattering data, while the longer term goal is validation in regimes that may eventually become classically intractable, including in future fault-tolerant implementations. Here, we develop a cross-pipeline validation framework for quantum simulation, using inelastic neutron scattering and classical many-body simulation as complementary experimental and computational anchors, based on explicit forward and inverse observable maps, covariance- or resampling-based uncertainty propagation, robustness tests for structured distortion, and a hierarchy of complementary metric families. The framework distinguishes stochastic uncertainty from robustness-induced distortion, carries both explicitly through the comparison chain, and uses the resulting metric-level uncertainty and distortion information to support layered validation at the pipeline, solver, and model levels. We also introduce actuator-aware feedback logic aimed at improving agreement without obscuring the physical origin of any remaining mismatch. We close by outlining future extensions of this methodology, including upstream uncertainty and distortion modeling, adaptive feedback, asymmetric validation beyond full classical benchmarking, fault-tolerant workflows, and community infrastructure for reproducible validation.