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arXiv:2504.06123 · Physical Review Research

Equating quantum imaginary time evolution, Riemannian gradient flows, and stochastic implementations

Nathan A. McMahon, Mahum Pervez, Christian Arenz

Published Feb 25, 2026• 4 citations
arXivHTMLPDF

Abstract

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.

DOI
10.1103/ht2m-1j91

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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.
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Imaginary-time evolution (ITE) underpins a broad family of algorithms for ground-state preparation in quantum simulation and quantum many-body physics. In these methods, convergence is governed by the energy variance of the instantaneous state, causing the flow to approach the ground state only asymptotically. We introduce an augmented imaginary-time evolution (AITE) framework that replaces the standard gradient flow on the energy landscape with a geometrically informed descent along locally optimal directions, which are identified by exploiting the higher-order statistical structure of the instantaneous energy distribution. The resulting flow strictly outperforms standard ITE throughout the entire evolution and exhibits two qualitatively distinct regimes: a superlinear convergence regime, followed by an extinction regime in which the energy error vanishes exactly at a finite value of the imaginary-time flow parameter, in contrast to the asymptotic exponential decay of ITE. Standard ITE is recovered in the zero-skewness limit of AITE, implying that the acceleration extends naturally across the broader ITE algorithmic family.
Imaginary-time evolution (ITE) is a powerful method for ground-state preparation of a given Hamiltonian. The normalized ITE can be viewed as a gradient flow of the energy expectation value with respect to the Fubini--Study metric. In this work, we propose a generalized nonlinear imaginary-time evolution (NITE) for more general quantum state-preparation tasks. We further present a hardware-efficient variational implementation of NITE and reveal its connection to quantum natural gradient descent. NITE is applied to several subroutine tasks, including variance minimization in variational eigensolvers, probe-state preparation in variational quantum sensing, and excited-state preparation using penalty terms. We prove that NITE achieves a local exponential convergence rate under reasonable assumptions. Our results show that NITE outperforms standard gradient descent and can serve as an efficient optimization method for variational tasks beyond ground-state preparation.
The representation of a quantum wave function as a neural network quantum state (NQS) provides a powerful variational ansatz for finding the ground states of many-body quantum systems. Nevertheless, due to the complex variational landscape, traditional methods often employ the computation of quantum geometric tensor, consequently complicating optimization techniques. Contributing to efforts aiming to formulate alternative methods, we introduce an approach that bypasses the computation of the metric tensor and instead relies exclusively on first-order gradient descent with Euclidean metric. This allows for the application of larger neural networks and the use of more standard optimization methods from other machine learning domains. Our approach leverages the principle of imaginary time evolution by constructing a target wave function derived from the Schrödinger equation, and then training the neural network to approximate this target. We make this method adaptive and stable by determining the optimal time step and keeping the target fixed until the energy of the NQS decreases. We demonstrate the benefits of our scheme via numerical experiments with 2D J_1-J_2 J 1 − J 2 , Heisenberg model, which showcase enhanced stability and energy accuracy in comparison to direct energy loss minimization. Importantly, our approach displays competitiveness with the well-established density matrix renormalization group method and NQS optimization with stochastic reconfiguration.