English

Rejection-free quantum Monte Carlo in continuous time from transition path sampling

Statistical Mechanics 2024-07-17 v2

Abstract

Continuous-time quantum Monte Carlo refers to a class of algorithms designed to sample the thermal distribution of a quantum Hamiltonian through exact expansions of the Boltzmann exponential in terms of stochastic trajectories which are periodic in imaginary time. Here, we show that for (sign-problem-free) quantum many-body systems with discrete degrees of freedom -- such as spins on a lattice -- this sampling can be done in a rejection-free manner using transition path sampling (TPS). The key idea is to converge the trajectory ensemble through updates where one individual degree of freedom is modified across all time while the remaining unaltered ones provide a time-dependent background. The ensuing single-body dynamics provides a way to generate trajectory updates exactly, allowing one to obtain the target ensemble efficiently via rejection-free TPS. We demonstrate our method on the transverse field Ising model in one and two dimensions, and on the quantum triangular plaquette (or Newman-Moore) model. We show that despite large autocorrelation times, our method is able to efficiently recover the respective quantum phase transition of each model. We also discuss the connection to rare event sampling in continuous-time Markov dynamics.

Keywords

Cite

@article{arxiv.2305.08935,
  title  = {Rejection-free quantum Monte Carlo in continuous time from transition path sampling},
  author = {Luke Causer and Konstantinos Sfairopoulos and Jamie F. Mair and Juan P. Garrahan},
  journal= {arXiv preprint arXiv:2305.08935},
  year   = {2024}
}

Comments

14+4 pages, 6+3 figures, updated to final version

R2 v1 2026-06-28T10:35:09.411Z