A Sublinear-Time Quantum Algorithm for High-Dimensional Reaction Rates
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arXiv
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| Autores principales: | , , , |
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| Formato: | Preprint |
| Publicado: |
2026
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| _version_ | 1866914272185942016 |
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| author | Kharazi, Tyler Alkadri, Ahmad M. Mandadapu, Kranthi K. Whaley, K. Birgitta |
| author_facet | Kharazi, Tyler Alkadri, Ahmad M. Mandadapu, Kranthi K. Whaley, K. Birgitta |
| contents | The Fokker-Planck equation models rare events across sciences, but its high-dimensional nature challenges classical computers. Quantum algorithms for such non-unitary dynamics often suffer from exponential {decay in} success probability. We introduce a quantum algorithm that overcomes this for computing reaction rates. Using a sum-of-squares representation, we develop a Gaussian linear combination of Hamiltonian simulations (Gaussian-LCHS) to represent the non-unitary propagator with $O\left(\sqrt{t\|H\|\log(1/ε)}\right)$ queries to its block encoding. Crucially, we pair this with {a} novel technique to directly estimate matrix elements without exponential decay. For $η$ pairwise interacting particles discretized with $N$ plane waves per degree of freedom, we estimate reactive flux to error $ε$ using $\widetilde{O}\left((η^{5/2}\sqrt{tβ}α_V + η^{3/2}\sqrt{t/β}N)/ε\right)$ quantum gates, where $α_V = \max_{r}|V'(r)/r|$. For non-convex potentials, the {sharpest classical} worst-case analytical bounds to simulate the related overdamped Langevin {equation} scale as $O(te^{Ω(η)}/ε^4)$. This {implies} an exponential separation in particle number $η$, a quartic speedup in $ε$, and quadratic speedup in $t$. While specialized classical heuristics may outperform these bounds in practice, this demonstrates a rigorous route toward quantum advantage for high-dimensional dissipative dynamics. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2601_15523 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | A Sublinear-Time Quantum Algorithm for High-Dimensional Reaction Rates Kharazi, Tyler Alkadri, Ahmad M. Mandadapu, Kranthi K. Whaley, K. Birgitta Quantum Physics The Fokker-Planck equation models rare events across sciences, but its high-dimensional nature challenges classical computers. Quantum algorithms for such non-unitary dynamics often suffer from exponential {decay in} success probability. We introduce a quantum algorithm that overcomes this for computing reaction rates. Using a sum-of-squares representation, we develop a Gaussian linear combination of Hamiltonian simulations (Gaussian-LCHS) to represent the non-unitary propagator with $O\left(\sqrt{t\|H\|\log(1/ε)}\right)$ queries to its block encoding. Crucially, we pair this with {a} novel technique to directly estimate matrix elements without exponential decay. For $η$ pairwise interacting particles discretized with $N$ plane waves per degree of freedom, we estimate reactive flux to error $ε$ using $\widetilde{O}\left((η^{5/2}\sqrt{tβ}α_V + η^{3/2}\sqrt{t/β}N)/ε\right)$ quantum gates, where $α_V = \max_{r}|V'(r)/r|$. For non-convex potentials, the {sharpest classical} worst-case analytical bounds to simulate the related overdamped Langevin {equation} scale as $O(te^{Ω(η)}/ε^4)$. This {implies} an exponential separation in particle number $η$, a quartic speedup in $ε$, and quadratic speedup in $t$. While specialized classical heuristics may outperform these bounds in practice, this demonstrates a rigorous route toward quantum advantage for high-dimensional dissipative dynamics. |
| title | A Sublinear-Time Quantum Algorithm for High-Dimensional Reaction Rates |
| topic | Quantum Physics |
| url | https://arxiv.org/abs/2601.15523 |