Pruned-ADAPT-VQE: Compacting Molecular Ansatze by Removing Irrelevant Operators.

ABSTRACT: The adaptive derivative-assembled problem-tailored variational quantum eigensolver (ADAPT-VQE) is one of the most widely used algorithms for electronic structure calculations in quantum computers. It adaptively selects operators based on their gradient, constructing ansätze that continuously evolve to match the energy landscape, helping avoid local traps and barren plateaus. However, this flexibility in reoptimization can lead to the inclusion of redundant or inefficient operators that have almost zero parameter value, barely contributing to the ansatz. We identify three phenomena responsible for the appearance of these operators: poor operator selection, operator reordering, and fading operators. In this work, we propose an automated, cost-free refinement method that removes unnecessary o

SUBMITTER: Vaquero-Sabater N 

PROVIDER: S-EPMC12461939 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature