Even a perfect diffusion model yields poor annealed Boltzmann generators when coupled through first-order stochastic denoising kernels, while deterministic transport maps and second-order kernels improve; with learned densities, log-density error, not score error, is the bottleneck.
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Diffusion-based Annealed Boltzmann Generators : benefits, pitfalls and hopes
Even a perfect diffusion model yields poor annealed Boltzmann generators when coupled through first-order stochastic denoising kernels, while deterministic transport maps and second-order kernels improve; with learned densities, log-density error, not score error, is the bottleneck.