  To facilitate quantum simulation of open quantum systems at finite
temperatures, an important ingredient is to achieve thermalization on a given
time-scale. We consider a Rydberg aggregate (an arrangement of Rydberg atoms
that interact via long-range interactions) embedded in a laser-driven atomic
environment. For the smallest aggregate (two atoms), suitable laser parameters
can be found by brute force scanning of the four tunable laser parameters. For
more atoms, however, such parameter scans are too computationally costly. Here
we apply Gaussian processes to predict the thermalization performance as a
function of the laser parameters for two-atom and four-atom aggregates. These
predictions perform remarkably well using just 1000 simulations, demonstrating
the utility of Gaussian processes in an atomic physics setting. Using this
approach, we find and present effective laser parameters for generating
thermalization, the robustness of these parameters to variation, as well as
different thermalization dynamics.
