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Criteria for Matrix-Product Representations of Quantum Many-Particle States

Lukas Pausch, Matthias Zimmermann

Published Mar 13, 2025• 0 citations
OpenAlex

Abstract

Tensor networks [1] and in particular matrix-product states [2] have proven extremely useful for the investigation of quantum many-body states, such as, e.g., ground states of local many-body Hamiltonians. They provide an efficient description of these states, avoiding the exponential increase of Hilbert space with particle number at the cost of limiting the entanglement. In particular for matrix-product states, the relation between area laws of Rényi entanglement entropies and efficient simulability of quantum states is nowadays well understood [3]. However, it is not always clear a priori whether or not the relevant states of a given quantum system (e.g., its eigenstates) fulfil such an area law and can thus efficiently be represented by matrix-product states. By investigating specific states of relevance for many-body quantum dynamics, in particular symmetric states and Fock states, we here aim to derive criteria beyond the area law to assess for which quantum systems a description by matrix-product states or more general tensor networks is beneficial. [1] S. Montangero, Introduction to Tensor Networks (Springer, Cham, 2018) [2] J. I. Cirac, D. Pérez-García, N. Schuch, and F. Verstraete, Rev. Mod. Phys 93, 045003 (2021) [3] N. Schuch, M. W. Wolf, F. Verstraete, and J. I. Cirac, Phys. Rev. Lett. 100, 030504 (2008)

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Tensor networks [1] and in particular matrix-product states [2] have proven extremely useful for the investigation of quantum many-body states, such as, e.g., ground states of local many-body Hamiltonians. They provide an efficient description of these states, avoiding the exponential increase of Hilbert space with particle number at the cost of limiting the entanglement. In particular for matrix-product states, the relation between area laws of Rényi entanglement entropies and efficient simulability of quantum states is nowadays well understood [3]. However, it is not always clear a priori whether or not the relevant states of a given quantum system (e.g., its eigenstates) fulfil such an area law and can thus efficiently be represented by matrix-product states. By investigating specific states of relevance for many-body quantum dynamics, in particular symmetric states and Fock states, we here aim to derive criteria beyond the area law to assess for which quantum systems a description by matrix-product states or more general tensor networks is beneficial. [1] S. Montangero, Introduction to Tensor Networks (Springer, Cham, 2018) [2] J. I. Cirac, D. Pérez-García, N. Schuch, and F. Verstraete, Rev. Mod. Phys 93, 045003 (2021) [3] N. Schuch, M. W. Wolf, F. Verstraete, and J. I. Cirac, Phys. Rev. Lett. 100, 030504 (2008)
It is commonly believed that area laws for entanglement entropies imply that a quantum many-body state can be faithfully represented by efficient tensor network states—a conjecture frequently stated in the context of numerical simulations and analytical considerations. In this work, we show that this is in general not the case, except in one-dimension. We prove that the set of quantum many-body states that satisfy an area law for all Renyi entropies contains a subspace of exponential dimension. We then show that there are states satisfying area laws for all Renyi entropies but cannot be approximated by states with a classical description of small Kolmogorov complexity, including polynomial projected entangled pair states or states of multi-scale entanglement renormalisation. Not even a quantum computer with post-selection can efficiently prepare all quantum states fulfilling an area law, and we show that not all area law states can be eigenstates of local Hamiltonians. We also prove translationally and rotationally invariant instances of these results, and show a variation with decaying correlations using quantum error-correcting codes.
Classical simulation of quantum many-body systems is in general a challenging problem for the simple reason that the dimension of the Hilbert space grows exponentially with the system size. In particular, merely encoding a generic quantum many-body state requires an exponential number of bits. However, condensed matter physicists are mostly interested in local Hamiltonians and especially their ground states, which are highly non-generic. Thus, we might hope that at least some physical systems allow efficient classical simulation.Starting with one-dimensional (1D) quantum systems (i.e., the simplest nontrivial case), the first basic question is: Which classes of states have efficient classical representations? It turns out that this question is quantitatively related to the amount of entanglement in the state, for states with ``little entanglement'' are well approximated by matrix product states (a data structure that can be manipulated efficiently on a classical computer). At a technical level, the mathematical notion for ``little entanglement'' is area law, which has been proved for unique ground states in 1D gapped systems. We establish an area law for constant-fold degenerate ground states in 1D gapped systems and thus explain the effectiveness of matrix-product-state methods in (e.g.) symmetry breaking phases. This result might not be intuitively trivial as degenerate ground states in gapped systems can be long-range correlated.Suppose an efficient classical representation exists. How can one find it efficiently? The density matrix renormalization group is the leading numerical method for computing ground states in 1D quantum systems. However, it is a heuristic algorithm and the possibility that it may fail in some cases cannot be completely ruled out. Recently, a provably efficient variant of the density matrix renormalization group has been developed for frustration-free 1D gapped systems. We generalize this algorithm to all (i.e., possibly frustrated) 1D gapped systems. Note that the ground-state energy of 1D gapless Hamiltonians is computationally intractable even in the presence of translational invariance.It is tempting to extend methods and tools in 1D to two and higher dimensions (2+D), e.g., matrix product states are generalized to tensor network states. Since an area law for entanglement (if formulated properly) implies efficient matrix product state representations in 1D, an interesting question is whether a similar implication holds in 2+D. Roughly speaking, we show that an area law for entanglement (in any reasonable formulation) does not always imply efficient tensor network representations of the ground states of 2+D local Hamiltonians even in the presence of translational invariance. It should be emphasized that this result does not contradict with the common sense that in practice quantum states with more entanglement usually require more space to be stored classically; rather, it demonstrates that the relationship between entanglement and efficient classical representations is still far from being well understood.Excited eigenstates participate in the dynamics of quantum systems and are particularly relevant to the phenomenon of many-body localization (absence of transport at finite temperature in strongly correlated systems). We study the entanglement of excited eigenstates in random spin chains and expect that its singularities coincide with dynamical quantum phase transitions. This expectation is confirmed in the disordered quantum Ising chain using both analytical and numerical methods.Finally, we study the problem of generating ground states (possibly with topological order) in 1D gapped systems using quantum circuits. This is an interesting problem both in theory and in practice. It not only characterizes the essential difference between the entanglement patterns that give rise to trivial and nontrivial topological order, but also quantifies the difficulty of preparing quantum states with a quantum computer (in experiments).
It is commonly believed that area laws for entanglement entropies imply that a quantum many-body state can be faithfully represented by efficient tensor network states - a conjecture frequently stated in the context of numerical simulations and analytical considerations. In this work, we show that this is in general not the case, except in one dimension. We prove that the set of quantum many-body states that satisfy an area law for all Renyi entropies contains a subspace of exponential dimension. Establishing a novel link between quantum many-body theory and the theory of communication complexity, we then show that there are states satisfying area laws for all Renyi entropies but cannot be approximated by states with a classical description of small Kolmogorov complexity, including polynomial projected entangled pair states (PEPS) or states of multi-scale entanglement renormalisation (MERA). Not even a quantum computer with post-selection can efficiently prepare all quantum states fulfilling an area law, and we show that not all area law states can be eigenstates of local Hamiltonians. We also prove translationally invariant and isotropic instances of these results, and show a variation with decaying correlations using quantum error-correcting codes.
The study of interacting quantum many-body systems is one of the central challenges in modern physics. Interestingly, by understanding the physical properties of such systems from a microscopic description, one can explain many complex quantum phenomena such as the high-temperature superconductivity, fractional quantum Hall effect, etc. However, due to high complexity of these systems, theoretical investigations such as analytical and perturbation theories are limited to studying only a small subset of problems. In the past few decades, numerical simulation has emerged as an indispensable method for studying many phenomena, and has led to immense success and progress in recent years. The main obstacle in addressing quantum many-body systems is that the number of parameters required to represent a state of the system scales exponentially with the system size. However, one hardly needs the full Hilbert space but only a small subspace to describe physical properties of the system. From the point of view in quantum information theory, quantum entanglement is one of the main factors that is responsible for the complexity of studying quantum many-body systems. In particular, the amount of quantum entanglement in such system quantifies the correlation between constituents and therefore it determines how big the subspace is required to represent the system. In this thesis, we are interested in using tensor network states, a new emerging numerical technique to study dynamical and ground state properties of the system. The key ingredient is that a tensor network state which consists of a fairly small number of parameters can represent very well the complete wave function of a system. In one spatial dimension, Matrix Product State (MPS) has become a standard tool, combined with related algorithms such as Time Evolving Block Decimation algorithm (TEBD) to study dynamical properties of a locally-perturbed quantum lattice system. In this thesis, we introduce a technique called ``infinite boundary conditions'' that allows us to use a finite-size MPS to represent the state of an infinite-size system. As a result, one can simulate dynamics of a system for a longer time with a significant computational cost reduction compared to traditional methods. In two spatial dimensions, the tensor network known as Projected Entangled Pair States (PEPS) is emerging as a useful approach. However algorithms for optimizing the matrix elements of these tensors are complex and not very efficient. In particular, the efficiency of the optimization depends critically on the quality of the so-called ``environment'', which is expensive to compute. We have introduced a new method to accelerate the convergence of calculating the PEPS ground state by recycling the environment tensors for many optimization steps, vastly reducing the number of times that the full environment needs to be calculated.
This chapter is to introduce some basic definitions and concepts of TN Tensor network (TN) . We will show that the TN can be used to represent quantum many-body states, where we explain MPS Matrix product state (MPS) in 1D and PEPS Projected entangled pair state (PEPS) in 2D systems, as well as the generalizations to thermal states and operators. The quantum entanglement properties of the TN states including the area law of entanglement entropy will also be discussed. Finally, we will present several special TNs that can be exactly contracted, and demonstrate the difficulty of contracting TNs in general cases.
The Thesis explores the application of Matrix Product States (MPS) in the domain of quantum many-body systems and quantum computing, show casing the versatility and effectiveness of MPS for addressing complex com putational challenges. The opening chapter introduces essential tools for Tensor Networks, addressing the curse of dimensionality and elucidating the main characteristics of Matrix Product States and Matrix Product Op erators. The discussion encompasses also important numerical techniques, including Density Matrix Renormalization Group and Time Evolving Block Decimation. Furthermore, the relation between MPS and quantum circuits is discussed. The subsequent Chapters delve into specific applications of MPS. In the second Chapter, we introduce a Tensor Network ansatz inspired by the backflow transformation for correlated systems. This extension of the MPS representation ensures an area law for entanglement in dimensions one or greater. We employ an optimization scheme combining DMRG and variational Monte Carlo algorithms for efficient ground-state search. Bench marking against spin models demonstrates high accuracy. The third Chapter explores quantum annealing for optimizing complex classical spin Hamil tonians, as the Hopfield model and the binary perceptron. We introduce an efficient Tensor Network representation for the adiabatic time evolution of quantum annealing, enabling scalable classical simulations. The use of MPS in mitigating Trotter errors and mapping to quantum circuits is also explored. In the fourth Chapter we present a novel method for evaluating the amount of nonstabilizerness (also known as quantum magic) contained in an MPS. We overcome the exponentially hard evaluation of this quan tity by employing a simple perfect sampling technique of Pauli string. Our innovative MPS approach enables efficient computation. Benchmarked on magic states and the quantum Ising chain ground state, this method offers easy access to the non-equilibrium dynamics of nonstabilizerness following a quantum quench. The Appendices provide additional insights, including: an introduction to variational Monte Carlo, technical details on MPS simula tions for the quantum annealing and a comprehensive overview on stabilizer formalism and nonstabilizerness.