Reducing the resources required by ADAPT-VQE using coupled exchange operators and improved subroutines
Abstract Adaptive variational quantum algorithms arguably offer the best prospects for quantum advantage in the Noisy Intermediate-Scale Quantum era. Since the inception of the first such algorithm, the Adaptive Derivative-Assembled Problem-Tailored Variational Quantum Eigensolver (ADAPT-VQE), many...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2025-05-01
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| Series: | npj Quantum Information |
| Online Access: | https://doi.org/10.1038/s41534-025-01039-4 |
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| author | Mafalda Ramôa Panagiotis G. Anastasiou Luis Paulo Santos Nicholas J. Mayhall Edwin Barnes Sophia E. Economou |
| author_facet | Mafalda Ramôa Panagiotis G. Anastasiou Luis Paulo Santos Nicholas J. Mayhall Edwin Barnes Sophia E. Economou |
| author_sort | Mafalda Ramôa |
| collection | DOAJ |
| description | Abstract Adaptive variational quantum algorithms arguably offer the best prospects for quantum advantage in the Noisy Intermediate-Scale Quantum era. Since the inception of the first such algorithm, the Adaptive Derivative-Assembled Problem-Tailored Variational Quantum Eigensolver (ADAPT-VQE), many improvements have appeared in the literature. We combine the key improvements along with a novel operator pool—which we term Coupled Exchange Operator (CEO) pool—to assess the cost of running state-of-the-art ADAPT-VQE on hardware in terms of measurement counts and circuit depth. We show a dramatic reduction of these quantum computational resources compared to the early versions of the algorithm: CNOT count, CNOT depth and measurement costs are reduced by up to 88%, 96% and 99.6%, respectively, for molecules represented by 12 to 14 qubits (LiH, H6 and BeH2). We also find that our state-of-the-art CEO-ADAPT-VQE outperforms the Unitary Coupled Cluster Singles and Doubles ansatz, the most widely used static VQE ansatz, in all relevant metrics, and offers a five order of magnitude decrease in measurement costs as compared to other static ansätze with competitive CNOT counts. |
| format | Article |
| id | doaj-art-dd2f44eae130475f8f7997bcbcfc16f1 |
| institution | OA Journals |
| issn | 2056-6387 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | npj Quantum Information |
| spelling | doaj-art-dd2f44eae130475f8f7997bcbcfc16f12025-08-20T02:03:32ZengNature Portfolionpj Quantum Information2056-63872025-05-0111111910.1038/s41534-025-01039-4Reducing the resources required by ADAPT-VQE using coupled exchange operators and improved subroutinesMafalda Ramôa0Panagiotis G. Anastasiou1Luis Paulo Santos2Nicholas J. Mayhall3Edwin Barnes4Sophia E. Economou5Department of Physics, Virginia TechDepartment of Physics, Virginia TechInternational Iberian Nanotechnology Laboratory (INL)Virginia Tech Center for Quantum Information Science and EngineeringDepartment of Physics, Virginia TechDepartment of Physics, Virginia TechAbstract Adaptive variational quantum algorithms arguably offer the best prospects for quantum advantage in the Noisy Intermediate-Scale Quantum era. Since the inception of the first such algorithm, the Adaptive Derivative-Assembled Problem-Tailored Variational Quantum Eigensolver (ADAPT-VQE), many improvements have appeared in the literature. We combine the key improvements along with a novel operator pool—which we term Coupled Exchange Operator (CEO) pool—to assess the cost of running state-of-the-art ADAPT-VQE on hardware in terms of measurement counts and circuit depth. We show a dramatic reduction of these quantum computational resources compared to the early versions of the algorithm: CNOT count, CNOT depth and measurement costs are reduced by up to 88%, 96% and 99.6%, respectively, for molecules represented by 12 to 14 qubits (LiH, H6 and BeH2). We also find that our state-of-the-art CEO-ADAPT-VQE outperforms the Unitary Coupled Cluster Singles and Doubles ansatz, the most widely used static VQE ansatz, in all relevant metrics, and offers a five order of magnitude decrease in measurement costs as compared to other static ansätze with competitive CNOT counts.https://doi.org/10.1038/s41534-025-01039-4 |
| spellingShingle | Mafalda Ramôa Panagiotis G. Anastasiou Luis Paulo Santos Nicholas J. Mayhall Edwin Barnes Sophia E. Economou Reducing the resources required by ADAPT-VQE using coupled exchange operators and improved subroutines npj Quantum Information |
| title | Reducing the resources required by ADAPT-VQE using coupled exchange operators and improved subroutines |
| title_full | Reducing the resources required by ADAPT-VQE using coupled exchange operators and improved subroutines |
| title_fullStr | Reducing the resources required by ADAPT-VQE using coupled exchange operators and improved subroutines |
| title_full_unstemmed | Reducing the resources required by ADAPT-VQE using coupled exchange operators and improved subroutines |
| title_short | Reducing the resources required by ADAPT-VQE using coupled exchange operators and improved subroutines |
| title_sort | reducing the resources required by adapt vqe using coupled exchange operators and improved subroutines |
| url | https://doi.org/10.1038/s41534-025-01039-4 |
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