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Leibniz international proceedings in informatics

Improved Approximation Algorithms for the EPR Hamiltonian

Ju, Nathan, Nagda, Ansh

Published Jan 1, 2025• 0 citations
Publisher

Abstract

The EPR Hamiltonian is a family of 2-local quantum Hamiltonians introduced by King [King, 2023]. We introduce a polynomial time (1+√5)/4≈0.809-approximation algorithm for the problem of computing the ground energy of the EPR Hamiltonian, improving upon the previous state of the art of 0.72 [Jorquera et al., 2024].
DOI
10.4230/lipics.approx/random.2025.24

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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.
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.
Estimating the ground state energy of a local Hamiltonian is a central problem in quantum chemistry. In order to further investigate its complexity and the potential of quantum algorithms for quantum chemistry, Gharibian and Le Gall (STOC 2022) recently introduced the guided local Hamiltonian problem (GLH), which is a variant of the local Hamiltonian problem where an approximation of a ground state (which is called a guiding state) is given as an additional input. Gharibian and Le Gall showed quantum advantage (more precisely, BQP-completeness) for GLH with 6-local Hamiltonians when the guiding state has fidelity (inverse-polynomially) close to 1/2 with a ground state. In this paper, we optimally improve both the locality and the fidelity parameter: we show that the BQP-completeness persists even with 2-local Hamiltonians, and even when the guiding state has fidelity (inverse-polynomially) close to 1 with a ground state. Moreover, we show that the BQP-completeness also holds for 2-local physically motivated Hamiltonians on a 2D square lattice or a 2D triangular lattice. Beyond the hardness of estimating the ground state energy, we also show BQP-hardness persists when considering estimating energies of excited states of these Hamiltonians instead. Those make further steps towards establishing practical quantum advantage in quantum chemistry.
Estimating the ground state energy of a local Hamiltonian is a central problem in quantum chemistry. In order to further investigate its complexity and the potential of quantum algorithms for quantum chemistry, Gharibian and Le Gall (STOC 2022) recently introduced the guided local Hamiltonian problem (GLH), which is a variant of the local Hamiltonian problem where an approximation of a ground state (which is called a guiding state) is given as an additional input. Gharibian and Le Gall showed quantum advantage (more precisely, BQP-completeness) for GLH with 666-local Hamiltonians when the guiding state has fidelity (inverse-polynomially) close to 1/21/21/2 with a ground state. In this paper, we optimally improve both the locality and the fidelity parameter: we show that the BQP-completeness persists even with 2-local Hamiltonians, and even when the guiding state has fidelity (inverse-polynomially) close to 1 with a ground state. Moreover, we show that the BQP-completeness also holds for 2-local physically motivated Hamiltonians on a 2D square lattice or a 2D triangular lattice. Beyond the hardness of estimating the ground state energy, we also show BQP-hardness persists when considering estimating energies of excited states of these Hamiltonians instead. Those make further steps towards establishing practical quantum advantage in quantum chemistry.