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Learning Interpolations between Boltzmann Densities

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arxiv 2301.07388 v5 pith:6B5SPFX6 submitted 2023-01-18 stat.ML cs.LG

classification stat.MLcs.LG
keywords energyboltzmanndensitiesinterpolationsamplesalongequationfamily
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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 $f_t$ of energy functions between the target energy $f_1$ and the energy function of a generalized Gaussian $f_0(x) = ||x/\sigma||_p^p$. The interpolation of energy functions induces an interpolation of Boltzmann densities $p_t \propto e^{-f_t}$ and we aim to find a time-dependent vector field $V_t$ that transports samples along the family $p_t$ of densities. The condition of transporting samples along the family $p_t$ is equivalent to satisfying the continuity equation with $V_t$ and $p_t = Z_t^{-1}e^{-f_t}$. Consequently, we optimize $V_t$ and $f_t$ 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.

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Cited by 3 Pith papers

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. Full citation record

  1. No Trick, No Treat: Pursuits and Challenges Towards Simulation-free Training of Neural Samplers

    cs.LG 2025-02 conditional novelty 6.0 of 10

    Simulation-free training of neural samplers fails without Langevin preconditioning, and parallel tempering followed by fitting a diffusion model is a stronger baseline than most neural samplers.

  2. Continuously Tempered Diffusion Samplers

    cs.LG 2025-08 conditional novelty 5.0 of 10

    CTDS trains neural samplers with a controlled Langevin dynamics over both position and a continuous temperature coordinate, and reports improved sampling on a 40-mode Gaussian mixture.

  3. Neural Flow Samplers with Shortcut Models

    cs.LG 2025-02 conditional novelty 5.0 of 10

    Neural Flow Shortcut Sampler (NFS2) estimates the partition-function derivative with velocity-driven SMC and Stein control variates, and adds a generalized shortcut consistency loss for few-step sampling.

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