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arXiv:2102.05054 · SciPost Physics

Polynomial filter diagonalization of large Floquet unitary operators

David J. Luitz

Published Aug 3, 2021• 14 citations
arXivHTMLPDF

Abstract

Periodically driven quantum many-body systems play a central role for our understanding of nonequilibrium phenomena. For studies of quantum chaos, thermalization, many-body localization and time crystals, the properties of eigenvectors and eigenvalues of the unitary evolution operator, and their scaling with physical system size L L are of interest. While for static systems, powerful methods for the partial diagonalization of the Hamiltonian were developed, the unitary eigenproblem remains daunting. % In this paper, we introduce a Krylov space diagonalization method to obtain exact eigenpairs of the unitary Floquet operator with eigenvalue closest to a target on the unit circle. Our method is based on a complex polynomial spectral transformation given by the geometric sum, leading to rapid convergence of the Arnoldi algorithm. We demonstrate that our method is much more efficient than the shift invert method in terms of both runtime and memory requirements, pushing the accessible system sizes to the realm of 20 qubits, with Hilbert space dimensions \geq 10^6 ≥ 10 6 .

DOI
10.21468/scipostphys.11.2.021

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Periodically driven quantum many-body systems play a central role for our understanding of nonequilibrium phenomena. For studies of quantum chaos, thermalization, many-body localization and time crystals, the properties of eigenvectors and eigenvalues of the unitary evolution operator, and their scaling with physical system size L L are of interest. While for static systems, powerful methods for the partial diagonalization of the Hamiltonian were developed, the unitary eigenproblem remains daunting. % In this paper, we introduce a Krylov space diagonalization method to obtain exact eigenpairs of the unitary Floquet operator with eigenvalue closest to a target on the unit circle. Our method is based on a complex polynomial spectral transformation given by the geometric sum, leading to rapid convergence of the Arnoldi algorithm. We demonstrate that our method is much more efficient than the shift invert method in terms of both runtime and memory requirements, pushing the accessible system sizes to the realm of 20 qubits, with Hilbert space dimensions \geq 10^6 ≥ 10 6 .
In isolated quantum many-body systems periodically driven in time, the asymptotic dynamics at late times can exhibit distinct behavior such as thermalization or dynamical freezing. Understanding the properties of and the convergence towards infinite-time (nonequilibrium) steady states, however, remains a challenging endeavor. We propose a physically motivated Krylov space perspective on Floquet thermalization which offers a natural framework to study rates of convergence towards steady states and, simultaneously, an efficient numerical algorithm to evaluate infinite-time averages of observables within the diagonal ensemble. The effectiveness of our algorithm is demonstrated by applying it to the periodically driven mixed-field Ising model, reaching system sizes of up to 30 spins. Our method successfully resolves the transition between the ergodic and dynamically frozen phases and provides insight into the nature of the Floquet eigenstates across the phase diagram. Furthermore, we show that the long-time behavior is encoded within the localization properties of the Ritz vectors under the Floquet evolution, providing an accurate diagnostic of ergodicity.
Polynomially filtered exact diagonalization method (POLFED) for large sparse matrices is introduced. The algorithm finds an optimal basis of a subspace spanned by eigenvectors with eigenvalues close to a specified energy target by a spectral transformation using a high order polynomial of the matrix. The memory requirements scale better with system size than in the state-of-the-art shift-invert approach. The potential of POLFED is demonstrated examining many-body localization transition in 1D interacting quantum spin-1/2 chains. We investigate the disorder strength and system size scaling of Thouless time. System size dependence of bipartite entanglement entropy and of the gap ratio highlights the importance of finite-size effects. We discuss possible scenarios regarding the many-body localization transition obtaining estimates for the critical disorder strength.
We present Polfed...jl, an open-source Julia package implementing the Polynomially Filtered Exact Diagonalization (POLFED) algorithm for computing mid-spectrum eigenvalues and eigenvectors (shortly, eigenpairs) of quantum many-body Hamiltonians. Access to such eigenpairs is essential for studying non-equilibrium many-body physics, but is hindered by the exponential growth of Hilbert-space dimension. POLFED addresses this challenge through a polynomial spectral transformation evaluated on the fly within a Lanczos iteration, preserving Hamiltonian sparsity and substantially reducing memory costs compared to other diagonalization methods. The package supports flexible energy targeting, automatic optimization of the spectral mapping for structured Hamiltonians, and GPU acceleration, which is particularly effective since the dominant computational cost reduces to repeated sparse matrix-vector multiplications. Benchmarks on disordered spin-chain and fermionic models demonstrate access to larger system sizes than alternative approaches, and CPU--GPU comparisons confirm significant speedups. In particular, we also provide code for constructing the quantum sun model Hamiltonian, a toy model of a many-body ergodicity-breaking transition. While our focus is on many-body Hamiltonians, Polfed...jl may be applied to any large sparse matrix.
The characterization of open quantum systems is a central and recurring problem for the development of quantum technologies. For time-independent systems, an (often unique) steady state describes the average physics once all the transient processes have faded out, but interesting quantum properties can emerge at intermediate timescales. Given a Lindblad master equation, these properties are encoded in the spectrum of the Liouvillian whose diagonalization, however, is a challenge even for small-size quantum systems. Here, we propose a new method to efficiently provide the Liouvillian spectral decomposition. We call this method an Arnoldi-Lindblad time evolution, because it exploits the algebraic properties of the Liouvillian superoperator to efficiently construct a basis for the Arnoldi iteration problem. The advantage of our method is double: (i) It provides a faster-than-the-clock method to efficiently obtain the steady state, meaning that it produces the steady state through time evolution shorter than needed for the system to reach stationarity. (ii) It retrieves the low-lying spectral properties of the Liouvillian with a minimal overhead, allowing to determine both which quantum properties emerge and for how long they can be observed in a system. This method is general and model-independent , and lends itself to the study of large systems where the determination of the Liouvillian spectrum can be numerically demanding but the time evolution of the density matrix is still doable. Our results can be extended to time evolution with a time-dependent Liouvillian. In particular, our method works for Floquet (i.e., periodically driven) systems, where it allows not only to construct the Floquet map for the slow-decaying processes, but also to retrieve the stroboscopic steady state and the eigenspectrum of the Floquet map. Although the method can be applied to any Lindbladian evolution (spin, fermions, bosons, …), for the sake of simplicity we demonstrate the efficiency of our method on several examples of coupled bosonic resonators (as a particular example). Our method outperforms other diagonalization techniques and retrieves the Liouvillian low-lying spectrum even for system sizes for which it would be impossible to perform exact diagonalization.
The characterization of open quantum systems is a central and recurring problem for the development of quantum technologies. For time-independent systems, an (often unique) steady state describes the average physics once all the transient processes have faded out, but interesting quantum properties can emerge at intermediate timescales. Given a Lindblad master equation, these properties are encoded in the spectrum of the Liouvillian whose diagonalization, however, is a challenge even for small-size quantum systems. Here, we propose a new method to efficiently provide the Liouvillian spectral decomposition. We call this method an Arnoldi-Lindblad time evolution, because it exploits the algebraic properties of the Liouvillian superoperator to efficiently construct a basis for the Arnoldi iteration problem. The advantage of our method is double: (i) It provides a faster-than-the-clock method to efficiently obtain the steady state, meaning that it produces the steady state through time evolution shorter than needed for the system to reach stationarity. (ii) It retrieves the low-lying spectral properties of the Liouvillian with a minimal overhead, allowing to determine both which quantum properties emerge and for how long they can be observed in a system. This method is general and model-independent, and lends itself to the study of large systems where the determination of the Liouvillian spectrum can be numerically demanding. Our results can be extended to time evolution with a time-dependent Liouvillian. In particular, our method works for Floquet (i.e., periodically driven) systems, where it allows not only to construct the Floquet map for the slow-decaying processes, but also to retrieve the stroboscopic steady state and the eigenspectrum of the Floquet map. We demonstrate the efficiency of our method on several examples of coupled bosonic systems.
It is known that the statistical properties of the spectrum provide an essential characterization of quantum chaos. The computation of a large group of interior eigenvalues at the middle spectrum is thus an important problem for quantum many-body systems. We propose a dual application of Chebyshev polynomial (DACP) method to effciently find thousands of central eigenvalues, which are exponentially close to each other in terms of the system size. To cope with the near-degenerate problem, we use the Chebyshev polynomial to both construct an exponential of semicircle filter as the preconditioning step and generate a large set of proper states as the basis of the desired subspace. Besides, DACP owes an excellent property that its computation time is not influenced by the required number of eigenvalues. Numerical experiments on Ising spin chain and spin glass shards show the correctness and effciency of the proposed method. As our results demonstrate, DACP is a factor of 30 faster than the state-of-the-art shift-invert method for the Ising spin chain while 8 times faster for the spin glass shards. The memory requirements scale better with system size and could be a factor of 100 less than in the shift-invert approach.