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Learning Interpolations between Boltzmann Densities

Machine Learning 2023-05-31 v5 Machine Learning

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_t of energy functions between the target energy f1f_1 and the energy function of a generalized Gaussian f0(x)=x/σppf_0(x) = ||x/\sigma||_p^p. The interpolation of energy functions induces an interpolation of Boltzmann densities pteftp_t \propto e^{-f_t} and we aim to find a time-dependent vector field VtV_t that transports samples along the family ptp_t of densities. The condition of transporting samples along the family ptp_t is equivalent to satisfying the continuity equation with VtV_t and pt=Zt1eftp_t = Z_t^{-1}e^{-f_t}. Consequently, we optimize VtV_t and ftf_t 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.

Cite

@article{arxiv.2301.07388,
  title  = {Learning Interpolations between Boltzmann Densities},
  author = {Bálint Máté and François Fleuret},
  journal= {arXiv preprint arXiv:2301.07388},
  year   = {2023}
}

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R2 v1 2026-06-28T08:14:15.948Z