Constructing Compact ADAPT Unitary Coupled-Cluster Ansatz with Parameter-Based Criterion
Fuente:
arXiv
Gespeichert in:
| Hauptverfasser: | , , , , , , , |
|---|---|
| Format: | Preprint |
| Veröffentlicht: |
2026
|
| Schlagworte: | |
| Online-Zugang: | |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| _version_ | 1866912875386241024 |
|---|---|
| author | He, Runhong Hong, Xin Chai, Qiaozhen Guan, Ji Zhou, Junyuan Ablimit, Arapat Cui, Guolong Ying, Shenggang |
| author_facet | He, Runhong Hong, Xin Chai, Qiaozhen Guan, Ji Zhou, Junyuan Ablimit, Arapat Cui, Guolong Ying, Shenggang |
| contents | The adaptive derivative-assembled pseudo-trotter variational quantum eigensolver (ADAPT-VQE) is a promising hybrid quantum-classical algorithm for molecular ground state energy calculation, yet its practical scalability is hampered by redundant excitation operators and excessive measurement costs. To address these challenges, we propose Param-ADAPT-VQE, a novel improved algorithm that selects excitation operators based on a parameter-based criterion instead of the traditional gradient-based metric. This strategy effectively eludes redundant operators. We further develop a sub-Hamiltonian technique and integrate a hot-start VQE optimization strategy, achieving a significant reduction in measurement costs. Numerical experiments on typical molecular systems demonstrate that Param-ADAPT-VQE outperforms the original ADAPT-VQE in computational accuracy, ansatz size, and measurement costs. Furthermore, our scheme retains the fundamental framework of ADAPT-VQE and is thus fully compatible with its various modified versions, enabling further performance improvements in specific aspects. This work presents an efficient and scalable enhancement to ADAPT-VQE, mitigating the core obstacles that impede its practical implementation in the field of molecular quantum chemistry. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2602_04253 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Constructing Compact ADAPT Unitary Coupled-Cluster Ansatz with Parameter-Based Criterion He, Runhong Hong, Xin Chai, Qiaozhen Guan, Ji Zhou, Junyuan Ablimit, Arapat Cui, Guolong Ying, Shenggang Quantum Physics Chemical Physics The adaptive derivative-assembled pseudo-trotter variational quantum eigensolver (ADAPT-VQE) is a promising hybrid quantum-classical algorithm for molecular ground state energy calculation, yet its practical scalability is hampered by redundant excitation operators and excessive measurement costs. To address these challenges, we propose Param-ADAPT-VQE, a novel improved algorithm that selects excitation operators based on a parameter-based criterion instead of the traditional gradient-based metric. This strategy effectively eludes redundant operators. We further develop a sub-Hamiltonian technique and integrate a hot-start VQE optimization strategy, achieving a significant reduction in measurement costs. Numerical experiments on typical molecular systems demonstrate that Param-ADAPT-VQE outperforms the original ADAPT-VQE in computational accuracy, ansatz size, and measurement costs. Furthermore, our scheme retains the fundamental framework of ADAPT-VQE and is thus fully compatible with its various modified versions, enabling further performance improvements in specific aspects. This work presents an efficient and scalable enhancement to ADAPT-VQE, mitigating the core obstacles that impede its practical implementation in the field of molecular quantum chemistry. |
| title | Constructing Compact ADAPT Unitary Coupled-Cluster Ansatz with Parameter-Based Criterion |
| topic | Quantum Physics Chemical Physics |
| url | https://arxiv.org/abs/2602.04253 |