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arXiv:2405.00673 · npj Quantum Information

Quantum algorithms for matrix geometric means

Nana Liu, Qisheng Wang, Mark M. Wilde, Zhicheng Zhang

Published Jun 13, 2025• 9 citations
arXivHTMLPDF

Abstract

Matrix geometric means between two positive definite matrices can be defined from distinct perspectives—as solutions to certain nonlinear systems of equations, as points along geodesics in Riemannian geometry, and as solutions to certain optimisation problems. We devise quantum subroutines for the matrix geometric means, and construct solutions to the algebraic Riccati equation—an important class of nonlinear systems of equations appearing in machine learning, optimal control, estimation, and filtering. Using these subroutines, we present a new class of quantum learning algorithms, for both classical and quantum data, called quantum geometric mean metric learning, for weakly supervised learning and anomaly detection. The subroutines are also useful for estimating geometric Rényi relative entropies and the Uhlmann fidelity, in particular achieving optimal dependence on precision for the Uhlmann and Matsumoto fidelities. Finally, we provide a BQP-complete problem based on matrix geometric means that can be solved by our subroutines.

DOI
10.1038/s41534-025-00973-7

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Matrix geometric means between two positive definite matrices can be defined from distinct perspectives—as solutions to certain nonlinear systems of equations, as points along geodesics in Riemannian geometry, and as solutions to certain optimisation problems. We devise quantum subroutines for the matrix geometric means, and construct solutions to the algebraic Riccati equation—an important class of nonlinear systems of equations appearing in machine learning, optimal control, estimation, and filtering. Using these subroutines, we present a new class of quantum learning algorithms, for both classical and quantum data, called quantum geometric mean metric learning, for weakly supervised learning and anomaly detection. The subroutines are also useful for estimating geometric Rényi relative entropies and the Uhlmann fidelity, in particular achieving optimal dependence on precision for the Uhlmann and Matsumoto fidelities. Finally, we provide a BQP-complete problem based on matrix geometric means that can be solved by our subroutines.
Quantum computing has emerged as a transformative paradigm for tackling complex matrix operations that underpin applications in machine learning and quantum information. In this paper, we synthesize recent advancements in quantum computing by integrating the quantum subroutines for matrix geometric means from Liu et al. (2025), which enable efficient solutions to nonlinear matrix equations like algebraic Riccati equations, with the Chebyshev-accelerated quantum matrix multiplication framework from Li et al. (2025), offering quadratic speedups for iterative chain operations on complex matrices. Through detailed reviews of each approach, we highlight shared primitives such as block-encoding, quantum singular value transformation, Hermitianization, and polynomial approximations, demonstrating their complementarity in constructing hybrid algorithms for nonlinear iterative problems. These hybrids achieve polylogarithmic complexities in matrix dimensions while optimizing precision and conditioning dependencies, exemplified in frameworks for Riccati iterations and kernel enhancements. Applications are explored in machine learning, including geometric mean metric learning for anomaly detection in classical and quantum data, and in quantum information, such as optimal fidelity and Rényi entropy estimation with accelerated power computations for error correction. Also available on Academia.edu: https://www.academia.edu/attachments/125700844/download_file?s=portfolio
This dissertation presents a study of quantum algorithms for problems that can be posed as matrix function tasks. In Chapter 1 we demonstrate a simple unifying framework for implementing of smooth functions of matrices on a quantum computer. This framework captures a variety of problems that can be solved by evaluating properties of some function of a matrix, and we identify speedups over classical algorithms for some problem classes. The analysis combines ideas from the classical theory of function approximation with the quantum algorithmic primitive of implementing linear combinations of unitary operators. In Chapter 2 we continue this study by looking at the role of sparsity of input matrices in constructing efficient quantum algorithms. We show that classically pre-processing an input matrix by spectral sparsification can be profitable for quantum Hamiltonian simulation algorithms, without compromising the simulation error or complexity. Such preprocessing incurs a one time cost linear in the size of the matrix, but can be exploited to exponentially speed up subsequent subroutines such as inversion. In Chapter 3, we give an application of this theory of matrix functions to the problem of estimating the Renyi entropy of an unknown quantum state. We combine matrix function techniques with mixed state quantum computation in the one-clean qubit model, and are able to bound of the expected runtime of our algorithm in terms of the unknown target quantity. In addition to the theme of analysing the complexity of our algorithms, we also identify instances that are of practical relevance, leading us to some problems of machine learning. In Chapter 4 we investigate kernel based learning methods using random features. We work with the QRAM input model suitable for big data, and show how matrix functions and the quantum Fourier transform can be used to devise a quantum algorithm for sampling random features that are optimised for given input data and choice of kernel. We obtain a potential exponential speedup over the best known classical algorithm even without explicit assumptions of sparsity or low rank. Finally in Chapter 5 we consider the technique of beamsearch decoding used in natural language processing. We work in the query model, and show how quantum search with advice can be used to construct a quantum search decoder that can find the optimal parse (which may for instance be a best translation, or text-to-speech transcript) at least quadratically faster than the best known classical algorithms, and obtain super-quadratic speedups in the expected runtime.
We develop quantum algorithms that construct block-encodings of solution matrices for continuous- and discrete-time algebraic Riccati equations (CAREs and DAREs), differential Riccati equations (DREs), and finite Riccati recursions. The Quantum Weighted Riesz Method, unifying four kinds of Riccati problems, constructs projectors onto the solution graphs using weighted Riesz branching operators and recovers the solution matrices. Under the stated access and normalization assumptions, our algorithms for CAREs and DAREs have near-optimal query complexity Θ(Rα)Θ(\mathcal Rα)Θ(Rα) up to logarithmic factors, with the generalized singularity factor R\mathcal RR that reflects spectral separation, and the output normalization ααα. For DREs and finite-horizon problems, the query complexity has an additional initialization conditioning factor κinitκ_{\rm init}κinit​. We establish product query lower bounds for specified input-oracle families, demonstrating necessary joint dependence on spectral separation and initialization or output scale. We also prove that selected-value promise problems are BQP-complete on explicit circuit-generated families of single-control discrete-time algebraic and zero-terminal differential Riccati equations. Applications include classical feedback evaluation for linear-quadratic control, a query-complexity comparison for stable random-phase approximation Riccati equations in quantum chemistry, and heated boundary control with numerical validation.
The use of geometric and symmetry techniques in quantum and classical information processing has a long tradition across the physical sciences as a means of theoretical discovery and applied problem solving. In the modern era, the emergent combination of such geometric and symmetry-based methods with quantum machine learning (QML) has provided a rich opportunity to contribute to solving a number of persistent challenges in fields such as QML parametrisation, quantum control, quantum unitary synthesis and quantum proof generation. In this thesis, we combine state-of-the-art machine learning methods with techniques from differential geometry and topology to address these challenges. We present a large-scale simulated dataset of open quantum systems to facilitate the development of quantum machine learning as a field. We demonstrate the use of deep learning greybox machine learning techniques for estimating approximate time-optimal unitary sequences as geodesics on subRiemannian symmetric space manifolds. Finally, we present novel techniques utilising Cartan decompositions and variational methods for analytically solving quantum control problems for certain classes of Riemannian symmetric space. Owing to its multidisciplinary nature, this work contains extensive supplementary background information in the form of Appendices. Each supplementary Appendix is tailored to provide additional background material in a relatively contained way for readers whom may be familiar with some, but not all, of these diverse scientific disciplines. The Appendices reproduce or paraphrase standard results in the literature with source material identified at the beginning of each Appendix. Proofs are omitted for brevity but can be found in the cited sources and other standard texts.
We develop operator-output quantum algorithms for matrix equations and matrix functions using matrix-sign embeddings. For each problem, an augmented matrix MMM is chosen so that the target operator is a block of sign(M)\text{sign}(M)sign(M) or is recovered from blocks of (I−sign(M))/2(I-\text{sign}(M))/2(I−sign(M))/2. We approximate the half-plane sign by a logarithmic-sinc formula and implement the shifted inverse families by scaled multiplexing with node-dependent rebalancing. For ordinary Sylvester equations, this yields a block-encoding of the solution with query complexity linear in the relevant conditioning parameters and logarithmic in the inverse error tolerance, under either a field-of-values (FoV) gap or a strip-resolvent bound. The same method extends to generalized Sylvester and Lyapunov equations, principal square and inverse square roots, matrix geometric means, and continuous-time algebraic Riccati equations (CARE), with explicit query-complexity and block-encoding-normalization bounds that cover non-normal and non-diagonalizable cases.
Abstract The application of machine learning techniques to solve problems in quantum control together with established geometric methods for solving optimisation problems leads naturally to an exploration of how machine learning approaches can be used to enhance geometric approaches for solving problems in quantum information processing. In this work, we review and extend the application of deep learning to quantum geometric control problems. Specifically, we demonstrate enhancements in time-optimal control in the context of quantum circuit synthesis problems by applying novel deep learning algorithms in order to approximate geodesics (and thus minimal circuits) along Lie group manifolds relevant to low-dimensional multi-qubit systems, such as SU(2), SU(4) and SU(8). We demonstrate the superior performance of greybox models, which combine traditional blackbox algorithms with whitebox models (which encode prior domain knowledge of quantum mechanics), as means of learning underlying quantum circuit distributions of interest. Our results demonstrate how geometric control techniques can be used to both (a) verify the extent to which geometrically synthesised quantum circuits lie along geodesic, and thus time-optimal, routes and (b) synthesise those circuits. Our results are of interest to researchers in quantum control and quantum information theory seeking to combine machine learning and geometric techniques for time-optimal control problems.