Towards determining the presence of barren plateaus in some chemically inspired variational quantum algorithms
文献类型：期刊论文
| 作者 | Mao, Rui1,2; Tian, Guojing1,2; Sun, Xiaoming1,2 |
| 刊名 | COMMUNICATIONS PHYSICS
 |
| 出版日期 | 2024-10-18 |
| 卷号 | 7期号:1页码:9 |
| ISSN号 | 2399-3650 |
| DOI | 10.1038/s42005-024-01798-0 |
| 英文摘要 | In quantum chemistry, the variational quantum eigensolver (VQE) is a promising algorithm for molecular simulations on near-term quantum computers. However, VQEs using hardware-efficient circuits face scaling challenges due to the barren plateau problem. This raises the question of whether chemically inspired circuits from unitary coupled cluster (UCC) methods can avoid this issue. Here we provide theoretical evidence indicating they may not. By examining alternated dUCC ans & auml;tzes and relaxed Trotterized UCC ans & auml;tzes, we find that in the infinite depth limit, a separation occurs between particle-hole one- and two-body unitary operators. While one-body terms yield a polynomially concentrated energy landscape, adding two-body terms leads to exponential concentration. Numerical simulations support these findings, suggesting that popular 1-step Trotterized unitary coupled-cluster with singles and doubles (UCCSD) ans & auml;tze may not scale. Our results emphasize the link between trainability and circuit expressiveness, raising doubts about VQEs' ability to surpass classical methods. The variational quantum eigensolver (VQE) is a promising approach for molecular simulations on quantum computers but faces scaling issues due to the barren plateau problem. The authors' findings indicate that unitary coupled cluster circuits may not overcome these challenges, raising doubts about VQE's ability to outperform classical methods. |
| 资助项目 | National Natural Science Foundation of China (National Science Foundation of China)[62325210] ; National Natural Science Foundation of China[XDB28000000] ; Strategic Priority Research Program of Chinese Academy of Sciences |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:001335585500001 |
| 出版者 | NATURE PORTFOLIO |
| 源URL | [http://119.78.100.204/handle/2XEOYT63/39499]  |
| 专题 | 中国科学院计算技术研究所期刊论文_英文 |
| 通讯作者 | Sun, Xiaoming |
| 作者单位 | 1.Chinese Acad Sci, Inst Comp Technol, State Key Lab Processors, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Sch Comp Sci & Technol, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Mao, Rui,Tian, Guojing,Sun, Xiaoming. Towards determining the presence of barren plateaus in some chemically inspired variational quantum algorithms[J]. COMMUNICATIONS PHYSICS,2024,7(1):9. |
| APA | Mao, Rui,Tian, Guojing,&Sun, Xiaoming.(2024).Towards determining the presence of barren plateaus in some chemically inspired variational quantum algorithms.COMMUNICATIONS PHYSICS,7(1),9. |
| MLA | Mao, Rui,et al."Towards determining the presence of barren plateaus in some chemically inspired variational quantum algorithms".COMMUNICATIONS PHYSICS 7.1(2024):9. |
入库方式： OAI收割
来源：计算技术研究所
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