A universal programmable Gaussian boson sampler for drug discovery.
A universal programmable Gaussian boson sampler for drug discovery.
复制标题
DOI：
10.1038/s43588-023-00526-y
复制
发表时间：
2023-10
期刊：
影响因子：
--
通讯作者：
Guo GC
中科院分区：
文献类型：
--
作者：
Yu S;Zhong ZP;Fang Y;Patel RB;Li QP;Liu W;Li Z;Xu L;Sagona-Stophel S;Mer E;Thomas SE;Meng Y;Li ZP;Yang YZ;Wang ZA;Guo NJ;Zhang WH;Tranmer GK;Dong Y;Wang YT;Tang JS;Li CF;Walmsley IA;Guo GC
高斯玻色子采样（GBS）有可能解决复杂的图形问题，如团发现，这是相关的药物发现任务。然而，实现量子增强的全部好处需要具有通用可编程性的大规模量子硬件。在这里，我们已经开发了一个时间仓编码的GBS光子量子处理器，是通用的，可编程的和软件可扩展的。我们的处理器具有可自由调节的压缩参数，并可以实现任意幺正操作与可编程干涉仪。利用我们的处理器，我们成功地在32节点图上执行了团查找，与经典采样相比，成功概率大约是两倍。作为概念验证，我们使用GBS处理器实现了一个多功能的量子药物发现平台，实现了分子对接和RNA折叠预测任务。我们的工作实现了GBS电路，其通用和可编程的架构，推进GBS在现实世界中的应用。该研究开发了一种名为Abacus的可编程量子处理器，并将其应用于针对药物发现挑战的高斯玻色子采样任务。
Gaussian boson sampling (GBS) has the potential to solve complex graph problems, such as clique finding, which is relevant to drug discovery tasks. However, realizing the full benefits of quantum enhancements requires large-scale quantum hardware with universal programmability. Here we have developed a time-bin-encoded GBS photonic quantum processor that is universal, programmable and software-scalable. Our processor features freely adjustable squeezing parameters and can implement arbitrary unitary operations with a programmable interferometer. Leveraging our processor, we successfully executed clique finding on a 32-node graph, achieving approximately twice the success probability compared to classical sampling. As proof of concept, we implemented a versatile quantum drug discovery platform using this GBS processor, enabling molecular docking and RNA-folding prediction tasks. Our work achieves GBS circuitry with its universal and programmable architecture, advancing GBS toward use in real-world applications. This study develops a programmable quantum processor, named Abacus, and applies it to Gaussian boson sampling tasks targeting drug discovery challenges.