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Stable adaptive time-stepping for large-scale tVMC dynamics

Develop a stable adaptive Runge–Kutta–Fehlberg time-stepping scheme for time-dependent variational Monte Carlo (tVMC) that accurately simulates real-time dynamics of neural-network quantum states for large two-dimensional disordered transverse-field Ising models, avoiding the instabilities encountered by the authors for large system sizes.

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Background

The authors used time-dependent variational Monte Carlo to simulate nonequilibrium dynamics with neural-network quantum states. Fixed time steps are computationally costly, motivating adaptive strategies (e.g., Runge–Kutta–Fehlberg) to accelerate early-time evolution and refine steps near critical points.

Although attractive in principle, their adaptive attempts were not stable at larger sizes. A stable, accurate adaptive scheme would reduce computational cost while preserving fidelity to the target dynamics across the studied quench regimes.

References

We experimented with adaptive Runge-Kutta-Fehlberg schemes to adaptively set the time step \tau. This could significantly reduce the computational cost, since we could speed up the integration at the beginning and slow down as we cross the critical point. However, we were not able to reach stable results for large system sizes with such an approach.

Computational supremacy in quantum simulation (2403.00910 - King et al., 1 Mar 2024) in Supplementary Materials, Section 'Neural networks'