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arXiv:2403.09161 · SciPost Physics

Compactness of quantics tensor train representations of local imaginary-time propagators

Haruto Takahashi, Rihito Sakurai, Hiroshi Shinaoka

Published Jan 8, 2025• 12 citations
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Abstract

Space-time dependence of imaginary-time propagators, vital for ab initio and many-body calculations based on quantum field theories, has been revealed to be compressible using Quantum Tensor Trains (QTTs) [Phys. Rev. X 13, 021015 (2023)]. However, the impact of system parameters, like temperature, on data size remains underexplored. This paper provides a comprehensive numerical analysis of the compactness of local imaginary-time propagators in QTT for one-time/-frequency objects and two-time/-frequency objects, considering truncation in terms of the Frobenius and maximum norms. To study worst-case scenarios, we employ random pole models, where the number of poles grows logarithmically with the inverse temperature and coefficients are random. The Green’s functions generated by these models are expected to be more difficult to compress than those from physical systems. The numerical analysis reveals that these propagators are highly compressible in QTT, outperforming the state-of-the-art approaches such as intermediate representation and discrete Lehmann reprensentation. For one-time/-frequency objects and two-time/-frequency objects, the bond dimensions saturate at low temperatures, especially for truncation in terms of the Frobenius norm. We provide counting-number arguments for the saturation of bond dimensions for the one-time/-frequency objects, while the origin of this saturation for two-time/-frequency objects remains to be clarified. This paper’s findings highlight the critical need for further research on the selection of truncation methods, tolerance levels, and the choice between imaginary-time and imaginary-frequency representations in practical applications.

DOI
10.21468/scipostphys.18.1.007

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Space-time dependence of imaginary-time propagators, vital for ab initio and many-body calculations based on quantum field theories, has been revealed to be compressible using Quantum Tensor Trains (QTTs) [Phys. Rev. X 13, 021015 (2023)]. However, the impact of system parameters, like temperature, on data size remains underexplored. This paper provides a comprehensive numerical analysis of the compactness of local imaginary-time propagators in QTT for one-time/-frequency objects and two-time/-frequency objects, considering truncation in terms of the Frobenius and maximum norms. To study worst-case scenarios, we employ random pole models, where the number of poles grows logarithmically with the inverse temperature and coefficients are random. The Green’s functions generated by these models are expected to be more difficult to compress than those from physical systems. The numerical analysis reveals that these propagators are highly compressible in QTT, outperforming the state-of-the-art approaches such as intermediate representation and discrete Lehmann reprensentation. For one-time/-frequency objects and two-time/-frequency objects, the bond dimensions saturate at low temperatures, especially for truncation in terms of the Frobenius norm. We provide counting-number arguments for the saturation of bond dimensions for the one-time/-frequency objects, while the origin of this saturation for two-time/-frequency objects remains to be clarified. This paper’s findings highlight the critical need for further research on the selection of truncation methods, tolerance levels, and the choice between imaginary-time and imaginary-frequency representations in practical applications.
The correlation functions of quantum systems-central objects in quantum field theories-are defined in high-dimensional space-time domains.Their numerical treatment thus suffers from the curse of dimensionality, which hinders the application of sophisticated many-body theories to interesting problems.Here, we propose a multiscale space-time ansatz for correlation functions of quantum systems based on quantics tensor trains (QTTs), "qubits" describing exponentially different length scales.The ansatz then assumes a separation of length scales by decomposing the resulting high-dimensional tensors into tensor trains (also known as matrix product states).We numerically verify the ansatz for various equilibrium and nonequilibrium systems and demonstrate compression ratios of several orders of magnitude for challenging cases.Essential building blocks of diagrammatic equations, such as convolutions or Fourier transforms, are formulated in the compressed form.We numerically demonstrate the stability and efficiency of the proposed methods for the Dyson and Bethe-Salpeter equations.The QTT representation provides a unified framework for implementing efficient computations of quantum field theories.
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Understanding entanglement remains one of the most intriguing problems in physics. While particle and site entanglement have been studied extensively, the investigation of length- or energy-scale entanglement—quantifying the information exchange between different length scales—has received far less attention. Here, we identify the quantics tensor train (QTT) technique, a matrix product state-inspired approach for overcoming computational bottlenecks in resource-intensive numerical calculations, as a renormalization group method by analytically expressing an exact cyclic reduction-based real-space renormalization scheme in QTT language, which serves as a natural formalism for the method. In doing so, we precisely match the QTT bond dimension—a measure of length-scale entanglement—to the number of rescaled couplings generated in each coarse-graining renormalization step. While QTTs have so far been applied almost exclusively to numerical problems in physics, our analytical calculations demonstrate that they are also powerful tools for mitigating computational costs in semianalytical treatments. We present our results for the one-dimensional tight-binding model with n th -nearest-neighbor hopping, where the 2 n rescaled couplings generated in the renormalization procedure precisely match the QTT bond dimension of the one-particle Green's function.
Quantification of stochastic or quantum systems by a joint probability density or wave function is a notoriously difficult computational problem, since the solution depends on all possible states (or realizations) of the system. Due to this combinatorial flavor, even a system containing as few as ten particles may yield as many as 101010^{10}1010 discretized states. None of even modern supercomputers are capable to cope with this curse of dimensionality straightforwardly, when the amount of quantum particles, for example, grows up to more or less interesting order of hundreds. A traditional approach for a long time was to avoid models formulated in terms of probabilistic functions, and simulate particular system realizations in a randomized process. Since different times in different communities, data-sparse methods came into play. Generally, they aim to define all data points indirectly, by a map from a low amount of representers, and recast all operations (e.g. linear system solution) from the initial data to the effective parameters. The most advanced techniques can be applied (at least, tried) to any given array, and do not rely explicitly on its origin. The current work contributes further progress to this area in the particular direction: tensor product methods for separation of variables. The separation of variables has a long history, and is based on the following elementary concept: a function of many variables may be expanded as a product of univariate functions. On the discrete level, a function is encoded by an array of its values, or a tensor. Therefore, instead of a huge initial array, the separation of variables allows to work with univariate factors with much less efforts. The dissertation contains a short overview of existing tensor representations: canonical PARAFAC, Hierarchical Tucker, Tensor Train (TT) formats, as well as the artificial tensorisation, resulting in the Quantized Tensor Train (QTT) approximation method. The contribution of the dissertation consists in both theoretical constructions and practical numerical algorithms for high-dimensional models, illustrated on the examples of the Fokker-Planck and the chemical master equations. Both arise from stochastic dynamical processes in multiconfigurational systems, and govern the evolution of the probability function in time. A special focus is put on time propagation schemes and their properties related to tensor product methods. We show that these applications yield large-scale systems of linear equations, and prove analytical separable representations of the involved functions and operators. We propose a new combined tensor format (QTT-Tucker), which descends from the TT format (hence TT algorithms may be generalized smoothly), but provides complexity reduction by an order of magnitude. We develop a robust iterative solution algorithm, constituting most advantageous properties of the classical iterative methods from numerical analysis and alternating density matrix renormalization group (DMRG) techniques from quantum physics. Numerical experiments confirm that the new method is preferable to DMRG algorithms. It is as fast as the simplest alternating schemes, but as reliable and accurate as the Krylov methods in linear algebra.
We present a quantum-inspired solver for the one-dimensional Gross-Pitaevskii equation in the Quantics Tensor-Train (QTT) representation. By evolving the system entirely within a low-rank tensor manifold, the method sidesteps the memory and runtime barriers that limit conventional finite-difference and spectral schemes. Two complementary algorithms are developed: an imaginary-time projector that drives the condensate toward its variational ground state and a rank-adapted fourth-order Runge-Kutta integrator for real-time dynamics. The framework captures a broad range of physical scenarios - including barrier-confined condensates, quasi-random potentials, long-range dipolar interactions, and multicomponent spinor dynamics - without leaving the compressed representation. Relative to standard discretizations, the QTT approach achieves an exponential reduction in computational resources while retaining quantitative accuracy, thereby extending the practicable regime of Gross-Pitaevskii simulations on classical hardware. These results position tensor networks as a practical bridge between high-performance classical computing and prospective quantum hardware for the numerical treatment of nonlinear Schrodinger-type partial differential equations.
One of the challenges in diagrammatic simulations of nonequilibrium phenomena in lattice models is the large memory demand for storing momentum-dependent two-time correlation functions. This problem can be overcome with the recently introduced quantics tensor train (QTT) representation of multivariable functions. Here, we demonstrate nonequilibrium Green's function simulations within the GW and Migdal approximations with high momentum resolution, up to times which exceed the capabilities of standard implementations and are long enough to study, e.g., transient Floquet physics during multicycle electric field pulses and thermalization dynamics. The self-consistent calculation on the three-leg Kadanoff-Baym contour is fully self-contained, employing only QTT-compressed functions and input functions which are either generated directly in QTT form or obtained via quantics tensor cross interpolation.