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arXiv:2402.19030 · Journal of Mathematical Physics

A faster algorithm for the free energy in one-dimensional quantum systems

Samuel O. Scalet

Published Aug 1, 2024• 1 citation
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Abstract

We consider the problem of approximating the free energy density of a translation-invariant, one-dimensional quantum spin system with finite range. While the complexity of this problem is nontrivial due to its close connection to problems with known hardness results, a classical subpolynomial-time algorithm has recently been proposed [Fawzi et al., 2022]. Combining several algorithmic techniques previously used for related problems, we propose an algorithm outperforming this result asymptotically and give rigorous bounds on its runtime. Our main techniques are the use of Araki expansionals, known from results on the nonexistence of phase transitions, and a matrix product operator construction. We also review a related approach using the Quantum Belief Propagation [Kuwahara et al., 2018], which in combination with our findings yields an equivalent result.

DOI
10.1063/5.0218349

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We consider the problem of approximating the free energy density of a translation-invariant, one-dimensional quantum spin system with finite range. While the complexity of this problem is nontrivial due to its close connection to problems with known hardness results, a classical subpolynomial-time algorithm has recently been proposed [Fawzi et al., 2022]. Combining several algorithmic techniques previously used for related problems, we propose an algorithm outperforming this result asymptotically and give rigorous bounds on its runtime. Our main techniques are the use of Araki expansionals, known from results on the nonexistence of phase transitions, and a matrix product operator construction. We also review a related approach using the Quantum Belief Propagation [Kuwahara et al., 2018], which in combination with our findings yields an equivalent result.
We introduce a classical algorithm to approximate the free energy of local, translation-invariant, one-dimensional quantum systems in the thermodynamic limit of infinite chain size. While the ground state problem (i.e., the free energy at temperature T=0T = 0T=0) for these systems is expected to be computationally hard even for quantum computers, our algorithm runs for any fixed temperature T>0T > 0T>0 in subpolynomial time, i.e., in time O((1ε)c)O((\frac{1}{\varepsilon})^{c})O((ε1​)c) for any constant c>0c > 0c>0 where ε\varepsilonε is the additive approximation error. Previously, the best known algorithm had a runtime that is polynomial in 1ε\frac{1}{\varepsilon}ε1​. Our algorithm is also particularly simple as it reduces to the computation of the spectral radius of a linear map. This linear map has an interpretation as a noncommutative transfer matrix and has been studied previously to prove results on the analyticity of the free energy and the decay of correlations. We also show that the corresponding eigenvector of this map gives an approximation of the marginal of the Gibbs state and thereby allows for the computation of various thermodynamic properties of the quantum system.
We introduce a classical algorithm to approximate the free energy of local, translation-invariant, one-dimensional quantum systems in the thermodynamic limit of infinite chain size. While the ground state problem (i.e., the free energy at temperature T=0 ) for these systems is expected to be computationally hard even for quantum computers, our algorithm runs for any fixed temperature T>0 in subpolynomial time, i.e., in time O((1ε)c) for any constant c>0 where ε is the additive approximation error. Previously, the best known algorithm had a runtime that is polynomial in 1ε . Our algorithm is also particularly simple as it reduces to the computation of the spectral radius of a linear map. This linear map has an interpretation as a noncommutative transfer matrix and has been studied previously to prove results on the analyticity of the free energy and the decay of correlations. We also show that the corresponding eigenvector of this map gives an approximation of the marginal of the Gibbs state and thereby allows for the computation of various thermodynamic properties of the quantum system.
We study the problem of computing energy density in one-dimensional quantum systems. We show that the ground-state energy per site or per bond can be computed in time (i) independent of the system size and subexponential in the desired precision if the ground state satisfies area laws for the Renyi entanglement entropy (this is the first rigorous formulation of the folklore that area laws imply efficient matrix-product-state algorithms); (ii) independent of the system size and polynomial in the desired precision if the system is gapped. As a by-product, we prove that in the presence of area laws (or even an energy gap) the ground state can be approximated by a positive semidefinite matrix product operator of bond dimension independent of the system size and subpolynomial in the desired precision of local properties.
Near-Optimal Bounds on the Density of Low-Energy States of kkk-Local Hamiltonians and Faster Quantum Algorithms
Low-energy estimation and state preparation for general kkk-local Hamiltonians are fundamental challenges in quantum complexity theory. Buhrman et al.~ [BGLGST, PRL 2025] recently broke the natural Grover bound O∗(2n/2)O^\ast(2^{n/2})O∗(2n/2) for both problems, with the improvement depending on the relative accuracy ε\varepsilonε and the locality kkk. In this work, we present faster exponential quantum algorithms for these problems, where the binary entropy function governs the runtime exponent. For sufficiently small ε/k\varepsilon/kε/k, our algorithms improve the exponent by a factor of log⁡(k/ε)\log(k/\varepsilon)log(k/ε) over [BGLGST, PRL 2025]. Our main technical result is an entropy-governed lower bound on the dimension of the Hamiltonian's low-energy subspace, obtained by depolarizing its ground state. For fixed kkk, this bound is optimal up to constant factors in the exponent. The same framework yields tighter bounds for Heisenberg, XYXYXY, and Ising models on arbitrary interaction graphs.
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).
The ground state energy and the free energy of Quantum Local Hamiltonians are fundamental quantities in quantum many-body physics, however, it is QMA-Hard to estimate them in general. In this paper, we develop new techniques to find classical, additive error product-state approximations for these quantities on certain families of Quantum kkk-Local Hamiltonians. Namely, those which are either dense, have low threshold rank, or are defined on a sparse graph that excludes a fixed minor, building on the methods and the systems studied by Brandão and Harrow, Gharibian and Kempe, and Bansal, Bravyi and Terhal. We present two main technical contributions. First, we discuss a connection between product-state approximations of local Hamiltonians and combinatorial graph property testing. We develop a series of weak Szemerédi regularity lemmas for kkk-local Hamiltonians, built on those of Frieze and Kannan and others. We use them to develop constant time sampling algorithms, and to characterize the `vertex sample complexity' of the Local Hamiltonian problem, in an analog to a classical result by Alon, de la Vega, Kannan and Karpinski. Second, we build on the information-theoretic product-state approximation techniques by Brandão and Harrow, extending their results to the free energy and to an asymmetric graph setting. We leverage this structure to define families of algorithms for the free energy at low temperatures, and new algorithms for certain sparse graph families.