arXiv subjects

Runhong He

Publications and source records attributed to Runhong He.

8 recordsLinked to original sources

arXiv2026

Hamiltonian-Aware ADAPT Variational Quantum Eigensolver for Molecular Ground-State Simulation

Designing compact ans\"atze in Variational Quantum Eigensolver (VQE) is crucial for solving energetic problems of practical molecules on near-term quantum devices. However, existing Adaptive Derivative-Assembled Pseudo-Trotter (ADAPT) ans\"atze face two challenges: improper operator selection and accumulation of degraded operators. In this paper, we propose the Hamiltonian-Aware (HA) ADAPT-VQE algorithm to address these issues. First, we establish a novel excitation operator selection criterion. It breaks the local constraint of existing criteria by incorporating Hamiltonian information, prioritizes physically meaningful excitation operators, and incurs no extra classical or quantum computational overhead. Furthermore, we develop a problem-adaptive method for discriminating and pruning redundant excitation operators stemming from improper selection and inevitable degradation. This method balances redundant operator pruning and convergence guarantee, and is applicable to ans\"atze with arbitrary scales. Systematic numerical experiments on typical strongly correlated molecular systems demonstrate that our HA-ADAPT-VQE avoids energy plateaus and outperforms baseline algorithms in terms of energy error, ansatz size, and measurement cost. This work offers an efficient, robust ansatz construction paradigm, facilitating the development and practical deployment of large-scale VQE in quantum chemistry.

quant-ph↗

arXiv2026

Constructing Compact ADAPT Unitary Coupled-Cluster Ansatz with Parameter-Based Criterion

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.

quant-ph↗

arXiv2025

Hamiltonian-Informed Point Group Symmetry-Respecting Ansatz for Variational Quantum Eigensolver

Solving molecular energy levels via the Variational Quantum Eigensolver (VQE) algorithm represents one of the most promising applications for demonstrating practically meaningful quantum advantage in the noisy intermediate-scale quantum (NISQ) era. To strike a balance between ansatz complexity and computational stability in VQE calculations, we propose the HiUCCSD, a novel symmetry-respecting ansatz engineered from the intrinsic information of the Hamiltonian. We theoretically prove the effectiveness of HiUCCSD within the scope of Abelian point groups. Furthermore, we compare the performance of HiUCCSD and the established SymUCCSD via VQE and Adaptive Derivative-Assembled Pseudo-Trotter (ADAPT)-VQE numerical experiments on ten molecules with distinct point groups. The results show that HiUCCSD achieves equivalent performance to SymUCCSD for Abelian point group molecules, while avoiding the potential performance failure of SymUCCSD in the case of non-Abelian point group molecules. Across the studied molecular systems, HiUCCSD cuts the parameter count by 18%-83% for VQE and reduces the excitation operator pool size by 27%-84% for ADAPT-VQE, as compared with the UCCSD ansatz. With enhanced robustness and broader applicability, HiUCCSD offers a new ansatz option for advancing large-scale molecular VQE implementation.

physics.chem-ph↗

arXiv2025

Gradient-Based Excitation Filter for Molecular Ground-State Simulation

Molecular ground-state simulation is one of the most promising fields for demonstrating practical quantum advantage on near-term quantum computers. However, the Variational Quantum Eigensolver (VQE), a leading algorithm for this task, still faces significant challenges due to excessive circuit depth. This paper introduces a method to efficiently simplify the Unitary Coupled-Cluster with Single and Double Excitations (UCCSD) ansatz on classical computers. We propose to estimate the correlation energy contributions of excitations using their gradients at Hartree-Fock state, supported by a theoretical proof. For molecular systems with $K$ orbitals, these gradients can be obtained with complexity only $O(K^8)$, which can be efficiently implemented on classical computers, especially in parallel. By sorting and truncating the excitations based on these gradients, the simplified ansatz can be obtained immediately, avoiding the challenging task of optimizing ansatz structure on a quantum computer. Furthermore, we introduce a strategy to indirectly identify critical excitations through spin-adapted constraints, reducing gradient computations by $60\%$. Numerical experiments on prototype molecular systems (H${_4}$, HF, H${_2}$O, BeH${_2}$ and NH$_3$) demonstrate that our approach achieves up to $46\%$ parameter decrease, $60\%$ circuit depth reduction and $678\times$ runtime speedup compared to the state-of-the-art ADAPT-VQE algorithm, enabling significantly more compact quantum circuits with enhanced near-term feasibility.

quant-ph↗

arXiv2024

RH: An Architecture for Redesigning Quantum Circuits on Quantum Hardware Devices

In this paper we present an architecture that enables the redesign of large-scale quantum circuits on quantum hardware based on the entangling quantum generative adversarial network (EQ-GAN). Specifically, by prepending a random quantum circuit module to the standard EQ-GAN framework, we extend its capability from quantum state learning to unitary transformation learning. The completeness of this architecture is theoretically proved. Moreover, an efficient local random circuit is proposed, which significantly enhances the practicality of our architecture. For concreteness, we apply this architecture to three crucial applications in circuit optimization, including the equivalence checking of (non-) parameterized circuits, as well as the variational reconstruction of quantum circuits. The feasibility of our approach is demonstrated by excellent results in both classical and noisy intermediate-scale quantum (NISQ) hardware implementations. We believe our work will facilitate the implementation and validation of the advantages of quantum algorithms.

quant-ph↗

arXiv2024

MindSpore Quantum: A User-Friendly, High-Performance, and AI-Compatible Quantum Computing Framework

We introduce MindSpore Quantum, a pioneering hybrid quantum-classical framework with a primary focus on the design and implementation of noisy intermediate-scale quantum (NISQ) algorithms. Leveraging the robust support of MindSpore, an advanced open-source deep learning training/inference framework, MindSpore Quantum exhibits exceptional efficiency in the design and training of variational quantum algorithms on both CPU and GPU platforms, delivering remarkable performance. Furthermore, this framework places a strong emphasis on enhancing the operational efficiency of quantum algorithms when executed on real quantum hardware. This encompasses the development of algorithms for quantum circuit compilation and qubit mapping, crucial components for achieving optimal performance on quantum processors. In addition to the core framework, we introduce QuPack, a meticulously crafted quantum computing acceleration engine. QuPack significantly accelerates the simulation speed of MindSpore Quantum, particularly in variational quantum eigensolver (VQE), quantum approximate optimization algorithm (QAOA), and tensor network simulations, providing astonishing speed. This combination of cutting-edge technologies empowers researchers and practitioners to explore the frontiers of quantum computing with unprecedented efficiency and performance.

quant-ph↗

arXiv2021

Black-Box Quantum State Preparation with Inverse Coefficients

Black-box quantum state preparation is a fundamental building block for many higher-level quantum algorithms, which is applied to transduce the data from computational basis into amplitude. Here we present a new algorithm for performing black-box state preparation with inverse coefficients based on the technique of inequality test. This algorithm can be used as a subroutine to perform the controlled rotation stage of the Harrow-Hassidim-Lloyd (HHL) algorithm and the associated matrix inversion algorithms with exceedingly low cost. Furthermore, we extend this approach to address the general black-box state preparation problem where the transduced coefficient is a general non-linear function. The present algorithm greatly relieves the need to do arithmetic and the error is only resulted from the truncated error of binary string. It is expected that our algorithm will find wide usage both in the NISQ and fault-tolerant quantum algorithms.

quant-ph↗

arXiv2021

Sharing quantum steering among multiple Alices and Bobs via a two-qubit Werner state

Quantum steering, a type of quantum correlation with unique asymmetry, has important applications in asymmetric quantum information tasks. We consider a new quantum steering scenario in which one half of a two-qubit Werner state is sequentially measured by multiple Alices and the other half by multiple Bobs. We find that the maximum number of Alices who can share steering with a single Bob increases from 2 to 5 when the number of measurement settings $N$ increases from 2 to 16. Furthermore, we find a counterintuitive phenomenon that for a fixed $N$, at most 2 Alices can share steering with 2 Bobs, while 4 or more Alices are allowed to share steering with a single Bob. We further analyze the robustness of the steering sharing by calculating the required purity of the initial Werner state, the lower bound of which varies from 0.503(1) to 0.979(5). Finally, we show that our both-sides sequential steering sharing scheme can be applied to control the steering ability, even the steering direction, if an initial asymmetric state or asymmetric measurement is adopted. Our work gives insights into the diversity of steering sharing and can be extended to study the problems such as genuine multipartite quantum steering when the sequential unsharp measurement is applied.

quant-ph↗