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Non-equilibrium Annealed Adjoint Sampler

Created by
  • Haebom

Author

Jaemoo Choi, Yongxin Chen, Molei Tao, Guan-Horng Liu

Outline

In this paper, we propose a novel Stochastic Optimal Control (SOC)-based diffusion sampler, the Non-equilibrium Annealed Adjoint Sampler (NAAS), which leverages annealed reference dynamics without relying on importance sampling, building on recent advances in learning-based diffusion samplers that aim to sample from non-normalized probability densities. NAAS enables efficient and scalable training using a concise adjoint system inspired by adjoint matching. We demonstrate the effectiveness of our approach on various tasks, including sampling from classical energy landscapes and molecular Boltzmann distributions. Unlike existing methods that rely on importance sampling, which suffer from high variance and limited scalability, NAAS addresses these issues.

Takeaways, Limitations

Takeaways:
Enables efficient and scalable diffusion sampling by leveraging annealed reference dynamics without relying on importance sampling.
Effective training possible through a simple adjoint system inspired by adjoint matching.
It demonstrates effective sampling performance in various tasks, including classical energy landscapes and molecular Boltzmann distributions.
Limitations:
There may be a lack of quantitative analysis on how well NAAS performs compared to other state-of-the-art methods.
Additional experimental validation may be needed to confirm scalability and generalization performance for problems of different dimensions.
It may only be effective for certain problem types and may underperform on other types of problems.
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