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arXiv:2512.13401

Riemannian gradient descent-based quantum algorithms for ground state preparation with guarantees

Mahum Pervez, Ariq Haqq, Nathan A. McMahon, Christian Arenz

quant-phSubmitted Dec 15, 2025• Announced Dec 16, 2025• 0 citations
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Abstract

We investigate Riemannian gradient flows for preparing ground states of a desired Hamiltonian on a quantum device. We show that the number of steps of the corresponding Riemannian gradient descent (RGD) algorithm that prepares a ground state to a given precision depends on the structure of the Hamiltonian. Specifically, we develop an upper bound for the number of RGD steps that depends on the spectral gap of the Hamiltonian, the overlap between ground and initial state, and the target precision. In numerical experiments we study examples where we observe for a 1D Ising chain with nearest-neighbor interactions that the RGD steps needed to prepare a ground state scales linearly with the number of spins. For all-to-all couplings a quadratic scaling is obtained. To achieve efficient implementations while keeping convergence guarantees, we develop RGD approximations by randomly projecting the Riemannian gradient into polynomial-sized subspaces. We find that the speed of convergence of the randomly projected RGD critically depends on the size of the subspace the gradient is projected into. Finally, we develop efficient quantum device implementations based on Trotterization and a quantum stochastic drift-inspired protocol. We implement the resulting quantum algorithms on IBM's quantum devices and provide data for small-scale problems.

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We investigate Riemannian gradient flows for preparing ground states of a desired Hamiltonian on a quantum device. We show that the number of steps of the corresponding Riemannian gradient descent (RGD) algorithm that prepares a ground state to a given precision depends on the structure of the Hamiltonian. Specifically, we develop an upper bound for the number of RGD steps that depends on the spectral gap of the Hamiltonian, the overlap between ground and initial state, and the target precision. In numerical experiments we study examples where we observe for a 1D Ising chain with nearest-neighbor interactions that the RGD steps needed to prepare a ground state scales linearly with the number of spins. For all-to-all couplings a quadratic scaling is obtained. To achieve efficient implementations while keeping convergence guarantees, we develop RGD approximations by randomly projecting the Riemannian gradient into polynomial-sized subspaces. We find that the speed of convergence of the randomly projected RGD critically depends on the size of the subspace the gradient is projected into. Finally, we develop efficient quantum device implementations based on Trotterization and a quantum stochastic drift-inspired protocol. We implement the resulting quantum algorithms on IBM's quantum devices and provide data for small-scale problems.
We identify quantum imaginary time evolution as a Riemannian gradient flow on the unitary group. We develop an upper bound for the error between the two evolutions that can be controlled through the step size of the Riemannian gradient descent that minimizes the energy of the system. We discuss implementations through adaptive quantum algorithms and present a stochastic Riemannian gradient descent algorithm in which each step is efficiently implementable on a quantum computer. We prove that for a sufficiently small step size, the stochastic evolution concentrates around the imaginary time evolution, thereby providing performance guarantees for cooling the system through stochastic Riemannian gradient descent. Finally, we show that Riemannian gradient descent can be understood as an approximation to quantum imaginary time evolution that does not employ classical optimization.
Designing quantum circuits for ground state preparation is a fundamental task in quantum information science. However, standard Variational Quantum Algorithms (VQAs) are often constrained by limited ansatz expressivity and difficult optimization landscapes. To address these issues, we adopt a geometric perspective, formulating the problem as the minimization of an energy cost function directly over the unitary group. We establish a retraction-based Riemannian optimization framework for this setting, ensuring that all algorithmic procedures are implementable on quantum hardware. Within this framework, we unify existing randomized gradient approaches under a Riemannian Random Subspace Gradient Projection (RRSGP) method. While recent geometric approaches have predominantly focused on such first-order gradient descent techniques, efficient second-order methods remain unexplored. To bridge this gap, we derive explicit expressions for the Riemannian Hessian and show that it can be estimated directly on quantum hardware via parameter-shift rules. Building on this, we propose the Riemannian Random Subspace Newton (RRSN) method, a scalable second-order algorithm that constructs a Newton system from measurement data. Numerical simulations indicate that RRSN achieves quadratic convergence, yielding high-precision ground states in significantly fewer iterations compared to both existing first-order approaches and standard VQA baselines. Ultimately, this work provides a systematic foundation for applying a broader class of efficient Riemannian algorithms to quantum circuit design.
We analyze convergence of gradient-descent methods on Riemannian manifolds. In particular, we study randomization of Riemannian gradient algorithms for minimizing smooth cost functions (of Morse-Bott type). We prove that randomized gradient descent methods, where the Riemannian gradient is replaced by a random projection of it, converge to a single local optimum almost surely despite the existence of saddle points. We consider both uniformly distributed and discrete random projections. We also discuss the time required to pass a saddle point. As a major application, we consider ground-state preparation through quantum optimization over the unitary group. In mathematical terms our randomized algorithm applied to the trace function U→tr⁡(AUρU∗)U \to \operatorname{tr}(AUρU^*)U→tr(AUρU∗) almost surely converges to its global minimum. The minimum corresponds to the smallest eigenvalue (ground state) of the selfadjoint operator AAA (Hamiltonian) if ρρρ is a rank-one projector (pure state). In this setting, one can efficiently replace the uniform random projections by implementing so-called discrete unitary 2-designs.
Riemannian optimization provides a natural geometric framework for designing quantum algorithms for ground-state preparation, most notably through quantum imaginary-time evolution. However, existing geometry-aware approaches primarily employ steepest-descent updates, leaving more advanced methods from classical Riemannian optimization largely unexplored. In this work, we introduce quantum conjugate gradient descent (QCGD), a quantum-compatible implementation of Riemannian conjugate gradient that combines the steepest descent direction with information retained from previous search directions. In our numerical experiments, the proposed approach achieves faster convergence per iteration than the baseline double-bracket quantum imaginary-time evolution (DB-QITE) algorithm, and we quantify the associated circuit cost with gate counts produced by Qrisp. This improvement, however, comes at the cost of increased circuit depth for each update step, revealing a trade-off between convergence rate and implementation complexity. Nevertheless, since the circuit depth for those algorithms grows exponentially with the number of iterations, the proposed method may offer practical advantages, particularly in the early fault-tolerant regime.
Matrix product operators (MPOs) provide a scalable approach for quantum state tomography (QST) by offering a compact representation of many-body mixed states with limited entanglement, using only a number of parameters that scales polynomially with the system size. In this paper, we study QST for quantum density matrices that can be represented by MPOs. We first derive an equivalent characterization of Hermiticity in terms of the MPO core tensors and show that the coefficient tensor of an MPO under the Pauli or generalized Gell-Mann basis admits a real-valued low tensor-train (TT) rank structure. This establishes an explicit connection between MPO-based QST and noisy low-rank tensor completion. Motivated by this formulation, we develop an online Riemannian gradient descent (oRGD) algorithm that sequentially incorporates measurement data during the reconstruction process. With a proper initialization, we prove that oRGD converges linearly to the target MPO and succeeds with a number of distinct measurement settings that scales quadratically with the system size. As a byproduct, our analysis also yields a significantly improved sample complexity bound for the low TT rank tensor completion task. Furthermore, we propose a tailored spectral initialization method and establish its theoretical guarantee. Numerical experiments on several classes of quantum states validate the effectiveness and scalability of the proposed method.
The Variational Quantum Eigensolver (VQE) is one of the most promising algorithms for current quantum devices. It employs a classical optimizer to iteratively update the parameters of a variational quantum circuit in order to search for the ground state of a given Hamiltonian. The efficacy of VQEs largely depends on the optimizer employed. Recent studies suggest that Quantum Natural Gradient Descent (QNG) can achieve faster convergence than vanilla gradient descent (VG), but at the cost of additional quantum resources to estimate Fubini-Study metric tensor in each optimization step. The Fubini-Study metric tensor used in QNG is related to the entire quantum state space and does not incorporate information about the target Hamiltonian. To take advantage of the structure of the Hamiltonian and address the limitation of additional computational cost in QNG, we propose Hamiltonian-aware Quantum Natural Gradient Descent (H-QNG). In H-QNG, we propose to use the Riemannian pullback metric induced from the lower-dimensional subspace spanned by the Hamiltonian terms onto the parameter space. We show that H-QNG inherits the desirable features of both approaches: the low quantum computational cost of VG and the reparameterization-invariance of QNG. We also validate its performance through numerical experiments on molecular Hamiltonians, showing that H-QNG achieves faster convergence to chemical accuracy while requiring fewer quantum computational resources.