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DOE OSTI ยท 3375892

Operator-level quantum acceleration of non-logconcave sampling

Abstract

Sampling from probability distributions of the form ๐ˆ โˆ e โˆ’๐œทV , where V is a continuous potential, is a fundamental task across physics, chemistry, biology, computer science, and statistics. However, when V is nonconvex, the resulting distribution becomes non-logconcave, and classical methods such as Langevin dynamics often exhibit poor performance. We introduce a quantum algorithm that provably accelerates a broad class of continuous-time sampling dynamics. For Langevin dynamics, our method encodes the target Gibbs measure into the amplitudes of aquantum state, identified as the kernel of a block matrix derived from a factorization of the Witten Laplacian operator. This connection enables Gibbs sampling via singular value thresholding and yields up to a quartic quantum speedup over best-knownclassical Langevin-based methods in the non-logconcave setting. Building on this framework, we further develop the first quantum algorithm that accelerates replica exchange Langevin diffusion, a widely used method for sampling from complex, rugged energy landscapes.

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BibTeXRIS

Leng, Jiaqi [University of California, Berkeley, CA (United States)] (ORCID:0000000292762832), Ding, Zhiyan [University of California, Berkeley, CA (United States); Univ. of Michigan, Ann Arbor, MI (United States)], Chen, Zherui [University of California, Berkeley, CA (United States)] (ORCID:0000000301396767), Lin, Lin [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000168609566). 2026-02-20. Operator-level quantum acceleration of non-logconcave sampling. https://doi.org/10.1073/pnas.2512789123

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