Towards determining the presence of barren plateaus in some chemically inspired variational quantum algorithms

doi:10.1038/s42005-024-01798-0

	Towards determining the presence of barren plateaus in some chemically inspired variational quantum algorithms
	Mao, Rui 1,2; Tian, Guojing 1,2; Sun, Xiaoming 1,2
	2024-10-18
发表期刊	COMMUNICATIONS PHYSICS
ISSN	2399-3650
卷号	7 期号:1 页码:9
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.
DOI	10.1038/s42005-024-01798-0
收录类别	SCI
语种	英语
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
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:001335585500001
出版者	NATURE PORTFOLIO
引用统计
文献类型	期刊论文
条目标识符	http://119.78.100.204/handle/2XEOYT63/39500
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.