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Scalable Discrete Diffusion Samplers: Combinatorial Optimization and Statistical Physics
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本文提出两种新型离散扩散采样训练方法,解决现有方法在内存扩展上的限制,并在无监督组合优化中取得突破性成果。同时,通过SN-NIS和Neural MCMC的改进,实现离散扩散模型在无偏采样问题上的应用,为科学领域提供新的研究方向。

arXiv:2502.08696v3 Announce Type: replace-cross Abstract: Learning to sample from complex unnormalized distributions over discrete domains emerged as a promising research direction with applications in statistical physics, variational inference, and combinatorial optimization. Recent work has demonstrated the potential of diffusion models in this domain. However, existing methods face limitations in memory scaling and thus the number of attainable diffusion steps since they require backpropagation through the entire generative process. To overcome these limitations we introduce two novel training methods for discrete diffusion samplers, one grounded in the policy gradient theorem and the other one leveraging Self-Normalized Neural Importance Sampling (SN-NIS). These methods yield memory-efficient training and achieve state-of-the-art results in unsupervised combinatorial optimization. Numerous scientific applications additionally require the ability of unbiased sampling. We introduce adaptations of SN-NIS and Neural Markov Chain Monte Carlo that enable for the first time the application of discrete diffusion models to this problem. We validate our methods on Ising model benchmarks and find that they outperform popular autoregressive approaches. Our work opens new avenues for applying diffusion models to a wide range of scientific applications in discrete domains that were hitherto restricted to exact likelihood models.

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离散扩散采样 训练方法 无监督组合优化
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