Quantum Gambling: Best-Arm Strategies for Generator Selection in Adaptive Variational Algorithms

Adaptive variational algorithms require additional measurements during the generator-selection step compared to static ansatze, since energy gradients must be estimated for a large operator pool. This scaling bottleneck limits their applicability to larger molecular systems on near-term quantum devices. We address this challenge by reformulating generator selection as a Best Arm Identification (BAI) problem, where the goal is to identify the generator with the largest energy gradient using as few measurements as possible. To solve this, we employ the Successive Elimination (SE) algorithm, which adaptively allocates measurements and discards unpromising candidates early. Numerical experiments on molecular systems demonstrate that this approach substantially reduces the number of measurements required while preserving ground-state energy accuracy. By cutting measurement overhead without sacrificing performance, our method makes adaptive variational algorithms more practical for near-term quantum simulations.

Authors

Institutions

Publication Details

Journal
Journal of Chemical Theory and Computation
Published
2026-04-17
DOI
https://doi.org/10.1021/acs.jctc.6c00568
Primary Topic
Quantum Computing Algorithms and Architecture
Type
article
Field-Weighted Citation Impact
0.00

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Quantum Gambling: Best-Arm Strategies for Generator Selection in Adaptive Variational Algorithms

Artur F. Izmaylov
Journal of Chemical Theory and Computation
Quantum Computing Algorithms and Architecture
article

Quantum Gambling: Best-Arm Strategies for Generator Selection in Adaptive Variational Algorithms

Artur F. Izmaylov
article en

Abstract

Adaptive variational algorithms require additional measurements during the generator-selection step compared to static ansatze, since energy gradients must be estimated for a large operator pool. This scaling bottleneck limits their applicability to larger molecular systems on near-term quantum devices. We address this challenge by reformulating generator selection as a Best Arm Identification (BAI) problem, where the goal is to identify the generator with the largest energy gradient using as few measurements as possible. To solve this, we employ the Successive Elimination (SE) algorithm, which adaptively allocates measurements and discards unpromising candidates early. Numerical experiments on molecular systems demonstrate that this approach substantially reduces the number of measurements required while preserving ground-state energy accuracy. By cutting measurement overhead without sacrificing performance, our method makes adaptive variational algorithms more practical for near-term quantum simulations.

Journal of Chemical Theory and Computation
University of Toronto (CA), Scarborough Health Network (CA)
Natural Sciences and Engineering Research Council of Canada
Openalex Percentile: Top 99%
Quantum Computing Algorithms and Architecture
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.

Quantum Gambling: Best-Arm Strategies for Generator Selection in Adaptive Variational Algorithms — Artur F. Izmaylov · Journal of Chemical Theory and Computation (2026) | TGRS Research Map | TGRS