Operator Commutativity Screening and Progressive Operator Block Reordering toward Many-body Inspired Quantum State Preparation

• URL: http://arxiv.org/abs/2510.15806v1
• Date: Fri, 17 Oct 2025 16:36:42 GMT
• Title: Operator Commutativity Screening and Progressive Operator Block Reordering toward Many-body Inspired Quantum State Preparation
• Authors: Dibyendu Mondal, Debaarjun Mukherjee, Rahul Maitra,
• Abstract summary: The variational quantum eigensolver (VQE) has emerged as a highly promising approach to determine molecular energies and properties.<n>We propose a systematic dynamic ansatz construction strategy in which the dominant operator blocks are initially identified.<n>We show that this strategy of progressive operator-block addition achieves accurate energetics with significantly fewer parameters while efficiently bypassing local traps.
• Score: 0.0
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: In the field of quantum chemistry, the variational quantum eigensolver (VQE) has emerged as a highly promising approach to determine molecular energies and properties within the noisy intermediate-scale quantum (NISQ) era. The central challenges of this approach lie in the design of an expressive ansatz capable of representing the exact ground state wavefunction while concurrently being efficient to avoid numerical instabilities during the classical optimization. Owing to the constraints of current quantum hardware, the ansatz must remain sufficiently compact while retaining the flexibility to capture essential correlation effects. To address these challenges, we propose a systematic dynamic ansatz construction strategy in which the dominant operator blocks are initially identified through commutativity screening, combined with an energy sorting criteria. Subsequently, the ansatz is progressively expanded in a stepwise manner via iterative operator block reordering. To minimize the overhead, the higher order correlation terms are incorporated via reduced lower-body tensor factorization in each operator block, while the adaptive construction strategy ensures that the optimization is guided along the optimal trajectory to mitigate potential numerical instabilities due to the presence of local traps. Benchmark applications to various molecular systems demonstrate that this strategy of progressive operator-block addition achieves accurate energetics with significantly fewer parameters while efficiently bypassing local traps. Moreover, in strongly correlated regions, such as bond dissociation, the method successfully reproduces the ground state, where other contemporary approaches often fail.

Related papers

• Continual Quantum Architecture Search with Tensor-Train Encoding: Theory and Applications to Signal Processing [68.35481158940401]
  CL-QAS is a continual quantum architecture search framework.<n>It mitigates challenges of costly encoding amplitude and forgetting in variational quantum circuits.<n>It achieves controllable robustness expressivity, sample-efficient generalization, and smooth convergence without barren plateaus.
  arXiv  Detail & Related papers  (2026-01-10T02:36:03Z)
• Constraint-Aware Quantum Optimization via Hamming Weight Operators [1.1463843149836523]
  Constrained optimization with strict linear constraints underpins applications in drug discovery, power grids, logistics, and finance.<n>We introduce Hamming Weight Operators, a new class of constraint-aware operators that confine quantum evolution strictly within the feasible subspace.<n>We validate our approach on benchmark tasks from both finance and high-energy physics, specifically portfolio optimization and two-jet clustering with energy balance.
  arXiv  Detail & Related papers  (2026-01-04T12:58:04Z)
• Decentralized Optimization on Compact Submanifolds by Quantized Riemannian Gradient Tracking [45.147301546565316]
  This paper considers the problem of decentralized optimization on compact submanifolds.<n>We propose an algorithm where agents update variables using quantized variables.<n>To the best of our knowledge, this is the first algorithm to achieve an $mathcalO (1/K)$ convergence rate in the presence of quantization.
  arXiv  Detail & Related papers  (2025-06-09T01:57:25Z)
• Floquet-engineered fast SNAP gates in weakly coupled circuit-QED systems [35.47678727832216]
  We propose a protocol to achieve high-fidelity SNAP gates that are orders of magnitude faster than the standard implementation.<n>We also present a unified theory that explains both the gate acceleration and the associated benign drive-induced decoherence.<n>These results pave the way for the experimental realization of high-fidelity, selective control of weakly coupled, high-coherence cavities.
  arXiv  Detail & Related papers  (2025-06-03T16:18:43Z)
• Efficient quantum state preparation through seniority driven operator selection [0.0]
  Quantum algorithms require accurate representations of electronic states on a quantum device.<n>Existing methods struggle to balance the competing demands of chemical accuracy and gate efficiency.<n>We propose an algorithmic framework that focuses on efficiently capturing the molecular strong correlation.
  arXiv  Detail & Related papers  (2025-04-28T12:56:57Z)
• Projective Quantum Eigensolver with Generalized Operators [0.0]
  We develop a methodology for determining the generalized operators in terms of a closed form residual equations in the PQE framework. With the application on several molecular systems, we have demonstrated our ansatz achieves similar accuracy to the (disentangled) UCC with singles, doubles and triples.
  arXiv  Detail & Related papers  (2024-10-21T15:40:22Z)
• Contextual Subspace Variational Quantum Eigensolver Calculation of the Dissociation Curve of Molecular Nitrogen on a Superconducting Quantum Computer [0.06990493129893112]
  We present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting quantum hardware. In particular, we compute the potential energy curve for molecular nitrogen, where a dominance of static correlation in the dissociation limit proves challenging for many conventional quantum chemistry techniques. Our quantum simulations retain good agreement with the full configuration interaction energy in the chosen STO-3G basis, outperforming all benchmarked single-reference wavefunction techniques in capturing the bond-breaking appropriately.
  arXiv  Detail & Related papers  (2023-12-07T16:05:52Z)
• Noise-independent Route towards the Genesis of a COMPACT Ansatz for Molecular Energetics: a Dynamic Approach [0.0]
  We propose a novel ansatz construction strategy based on the textitab-initio many-body perturbation theory. The accuracy and quantum complexity associated with the ansatz are solely dictated by a pre-defined perturbative order. We demonstrate that our ansatz performs significantly better, both in terms of accuracy, parameter count and circuit depth, in comparison to the allied unitary coupled cluster based ans"atze.
  arXiv  Detail & Related papers  (2023-11-16T13:45:33Z)
• Near-Term Distributed Quantum Computation using Mean-Field Corrections and Auxiliary Qubits [77.04894470683776]
  We propose near-term distributed quantum computing that involve limited information transfer and conservative entanglement production. We build upon these concepts to produce an approximate circuit-cutting technique for the fragmented pre-training of variational quantum algorithms.
  arXiv  Detail & Related papers  (2023-09-11T18:00:00Z)
• Exploring the role of parameters in variational quantum algorithms [59.20947681019466]
  We introduce a quantum-control-inspired method for the characterization of variational quantum circuits using the rank of the dynamical Lie algebra. A promising connection is found between the Lie rank, the accuracy of calculated energies, and the requisite depth to attain target states via a given circuit architecture.
  arXiv  Detail & Related papers  (2022-09-28T20:24:53Z)
• Low-rank Optimal Transport: Approximation, Statistics and Debiasing [51.50788603386766]
  Low-rank optimal transport (LOT) approach advocated in citescetbon 2021lowrank LOT is seen as a legitimate contender to entropic regularization when compared on properties of interest. We target each of these areas in this paper in order to cement the impact of low-rank approaches in computational OT.
  arXiv  Detail & Related papers  (2022-05-24T20:51:37Z)
• Decimation technique for open quantum systems: a case study with driven-dissipative bosonic chains [62.997667081978825]
  Unavoidable coupling of quantum systems to external degrees of freedom leads to dissipative (non-unitary) dynamics. We introduce a method to deal with these systems based on the calculation of (dissipative) lattice Green's function. We illustrate the power of this method with several examples of driven-dissipative bosonic chains of increasing complexity.
  arXiv  Detail & Related papers  (2022-02-15T19:00:09Z)
• Quantum communication complexity beyond Bell nonlocality [87.70068711362255]
  Efficient distributed computing offers a scalable strategy for solving resource-demanding tasks. Quantum resources are well-suited to this task, offering clear strategies that can outperform classical counterparts. We prove that a new class of communication complexity tasks can be associated to Bell-like inequalities.
  arXiv  Detail & Related papers  (2021-06-11T18:00:09Z)

This list is automatically generated from the titles and abstracts of the papers in this site.

This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.