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Learning Interpolations between Boltzmann Densities

18 January 2023
Bálint Máté
Franccois Fleuret
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Abstract

We introduce a training objective for continuous normalizing flows that can be used in the absence of samples but in the presence of an energy function. Our method relies on either a prescribed or a learnt interpolation ftf_tft​ of energy functions between the target energy f1f_1f1​ and the energy function of a generalized Gaussian f0(x)=∣∣x/σ∣∣ppf_0(x) = ||x/\sigma||_p^pf0​(x)=∣∣x/σ∣∣pp​. The interpolation of energy functions induces an interpolation of Boltzmann densities pt∝e−ftp_t \propto e^{-f_t}pt​∝e−ft​ and we aim to find a time-dependent vector field VtV_tVt​ that transports samples along the family ptp_tpt​ of densities. The condition of transporting samples along the family ptp_tpt​ is equivalent to satisfying the continuity equation with VtV_tVt​ and pt=Zt−1e−ftp_t = Z_t^{-1}e^{-f_t}pt​=Zt−1​e−ft​. Consequently, we optimize VtV_tVt​ and ftf_tft​ to satisfy this partial differential equation. We experimentally compare the proposed training objective to the reverse KL-divergence on Gaussian mixtures and on the Boltzmann density of a quantum mechanical particle in a double-well potential.

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