. . . , ρ 37 (t),. . . , . . . , ρ 66 (t), ρ 67 (t) ,ρ 77 (t)] with dimension N = 49 = number of sites + number of upper off-diagonal terms × 2. As ρ nm (t) = ρ * mn (t) (n ̸ = m), we only consider the upper diagonal terms ρ nm (t) (n ≤ m) and as the off-diagonal terms are complex, we learn the real and imaginary parts independently. For training, in time-window 0 . . . 2.5 ps, we sample We evaluate the performance of the OSTL approach for excitation energy transfer in FMO complex by training on 1000 trajectories chosen based on farthest point sampling (500 trajectories for each case of initial excitation as described previously