This simulation produced 322 testing data points collected every 10 fs. to downhill AL (2.14 meV atom -1 and 115.74 meV Å -1 ), as depicted at Fig. and. The marginally better performance for WTMetaD-IB can be attributed to its more uniform sampling across the energy and reaction coordinate space (Fig. ). Downhill AL demonstrates higher accuracy around the TS region, defined as configurations with r Cl -r F ±0.1 Å from the optimised TS (dashed line in Figure and), with energy and force errors of 1.71 meV atom -1 and 74.99 meV Å -1 , respectively.