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The free-energy difference $\Delta F$ between two high-dimensional systems isnotoriously difficult to compute, but very important for many applications,such as drug discovery. We demonstrate that an unconventional definition ofwork introduced by Vaikuntanathan and Jarzynski (2008) satisfies a microscopicfluctuation theorem that relates path ensembles that are driven by protocolsunequal under time-reversal. It has been shown before that counterdiabaticprotocols -- those having additional forcing that enforces the system to remainin instantaneous equilibrium, also known as escorted dynamics or engineeredswift equilibration -- yield zero-variance work measurements for thisdefinition. We show that this time-asymmetric microscopic fluctuation theoremcan be exploited for efficient free energy estimation by developing a simple(i.e., neural-network free) and efficient adaptive time-asymmetric protocoloptimization algorithm that yields $\Delta F$ estimates that are orders ofmagnitude lower in mean squared error than the generic linear interpolationprotocol with which it is initialized.

Time-Asymmetric Fluctuation Theorem and Efficient Free Energy Estimation