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arXiv:2210.08680 · Leibniz international proceedings in informatics

Improved Product-State Approximation Algorithms for Quantum Local Hamiltonians

Thiago Bergamaschi

Published Oct 17, 2022• 1 citation
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Abstract

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 $k$-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 $k$-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.

DOI
10.4230/lipics.icalp.2023.20

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We construct classical algorithms computing an approximation of the ground state energy of an arbitrary kkk-local Hamiltonian acting on nnn qubits. We first consider the setting where a good ``guiding state'' is available, which is the main setting where quantum algorithms are expected to achieve an exponential speedup over classical methods. We show that a constant approximation (i.e., an approximation with constant relative accuracy) of the ground state energy can be computed classically in poly(1/χ,n)\mathrm{poly}\left(1/χ,n\right)poly(1/χ,n) time and poly(n)\mathrm{poly}(n)poly(n) space, where χχχ denotes the overlap between the guiding state and the ground state (as in prior works in dequantization, we assume sample-and-query access to the guiding state). This gives a significant improvement over the recent classical algorithm by Gharibian and Le Gall (SICOMP 2023), and matches (up a to polynomial overhead) both the time and space complexities of quantum algorithms for constant approximation of the ground state energy. We also obtain classical algorithms for higher-precision approximation. For the setting where no guided state is given (i.e., the standard version of the local Hamiltonian problem), we obtain a classical algorithm computing a constant approximation of the ground state energy in 2O(n)2^{O(n)}2O(n) time and poly(n)\mathrm{poly}(n)poly(n) space. To our knowledge, before this work it was unknown how to classically achieve these bounds simultaneously, even for constant approximation. We also discuss complexity-theoretic aspects of our results.
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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.
We construct classical algorithms computing an approximation of the ground state energy of an arbitrary k-local Hamiltonian acting on n qubits. We first consider the setting where a good "guiding state" is available, which is the main setting where quantum algorithms are expected to achieve an exponential speedup over classical methods. We show that a constant approximation (i.e., an approximation with constant relative accuracy) of the ground state energy can be computed classically in poly (1/χ,n) time and poly(n) space, where χ denotes the overlap between the guiding state and the ground state (as in prior works in dequantization, we assume sample-and-query access to the guiding state). This gives a significant improvement over the recent classical algorithm by Gharibian and Le Gall (SICOMP 2023), and matches (up to a polynomial overhead) both the time and space complexities of quantum algorithms for constant approximation of the ground state energy. We also obtain classical algorithms for higher-precision approximation. For the setting where no guided state is given (i.e., the standard version of the local Hamiltonian problem), we obtain a classical algorithm computing a constant approximation of the ground state energy in 2^O(n) time and poly(n) space. To our knowledge, before this work it was unknown how to classically achieve these bounds simultaneously, even for constant approximation. We also discuss complexity-theoretic aspects of our results.
Understanding the entanglement structure of local Hamiltonian ground spaces is a physically motivated problem, with applications ranging from tensor network design to quantum error-correcting codes. To this end, we study the complexity of estimating ground state entanglement, and more generally entropy estimation for low energy states and Gibbs states. We find, in particular, that the classes qq-QAM [Kobayashi, le Gall, Nishimura, SICOMP 2019] (a quantum analogue of public-coin AM) and QMA(2) (QMA with unentangled proofs) play a crucial role for such problems, showing: (1) Detecting a high-entanglement ground state is qq-QAM-complete, (2) computing an additive error approximation to the Helmholtz free energy (equivalently, a multiplicative error approximation to the partition function) is in qq-QAM, (3) detecting a low-entanglement ground state is QMA(2)-hard, and (4) detecting low energy states which are close to product states can range from QMA-complete to QMA(2)-complete. Our results make progress on an open question of [Bravyi, Chowdhury, Gosset and Wocjan, Nature Physics 2022] on free energy, and yield the first QMA(2)-complete Hamiltonian problem using local Hamiltonians (cf. the sparse QMA(2)-complete Hamiltonian problem of [Chailloux, Sattath, CCC 2012]).
Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems exist, although it is often challenging to establish rigorous bounds on their performances. Here we detail three algorithms that produce approximate ground states for many-body and electronic structure problems, generalizing some previously known results for 2-local Hamiltonians. Each method comes with asymptotic bounds on the energies produced. The first one produces a separable state which improves on random product states. We test it on a spinless Hubbard model, validating numerically the theoretical result. The other two algorithms produce entangled states via shallow or deep circuits, improving on the energies of given initial states. We demonstrate their performance via numerical experiments on a 2-dimensional Hubbard model, starting from a checkerboard product state, as well as on some chemistry Hamiltonians, using the Hartree-Fock state as reference. In both cases, we show that the approximate energies produced are close to the exact ones. These algorithms provide a way to systematically improve the estimation of ground state energies and can be used stand-alone or in conjunction with existing quantum algorithms for ground states.