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arXiv:2107.05060 · ACM Symposium on Theory of Computing (STOC)

Computational complexity of the ground state energy density problem

James D. Watson, Toby S. Cubitt

Published Jun 9, 2022• 13 citations
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Abstract

We study the complexity of finding the ground state energy density of a local Hamiltonian on a lattice in the thermodynamic limit of infinite lattice size. We formulate this rigorously as a function problem, in which we request an estimate of the ground state energy density to some specified precision; and as an equivalent promise problem, GSED, in which we ask whether the ground state energy density is above or below specified thresholds.

DOI
10.1145/3519935.3520052

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We study the complexity of finding the ground state energy density of a local Hamiltonian on a lattice in the thermodynamic limit of infinite lattice size. We formulate this rigorously as a function problem, in which we request an estimate of the ground state energy density to some specified precision; and as an equivalent promise problem, GSED, in which we ask whether the ground state energy density is above or below specified thresholds.
Despite progress in quantum Hamiltonian complexity, little is known about the computational complexity of quantum physics at the thermodynamic limit. Even defining the problem is not straight forward. We study the complexity of estimating the ground energy of a fixed, translationally invariant Hamiltonian in the thermodynamic limit, to within a given precision; the number of bits nnn for the precision is the sole input to the problem. The complexity of this problem captures how difficult it is for the physicist to measure or compute another digit in the approximation of a physical quantity in the thermodynamic limit. We show that this problem is contained in $\mbox{FEXP}^{\mbox{QMA-EXP}}$ and is hard for $\mbox{FEXP}^{\mbox{NEXP}}$. This means that the problem is doubly exponentially hard in the size of the input. As an ingredient in our construction, we study the problem of computing the ground energy of translationally invariant finite 1D chains. A single Hamiltonian term, which is a fixed parameter of the problem, is applied to every pair of particles in a finite chain. The length of the chain is the sole input to the problem and the task is to compute an approximation of the ground energy. No thresholds are provided as in the standard formulation of the local Hamiltonian problem. We show that this problem is contained in $\mbox{FP}^{\mbox{QMA-EXP}}$ and is hard for $\mbox{FP}^{\mbox{NEXP}}$. Our techniques employ a circular clock in which the ground energy is calibrated by the length of the cycle. This requires more precise expressions for the ground states of the resulting matrices than was required for previous QMA-completeness constructions and even exact analytical bounds for the infinite case which we derive using techniques from spectral graph theory. To our knowledge, this is the first use of the circuit-to-Hamiltonian construction which shows hardness for a function class.
Despite immense progress in quantum Hamiltonian complexity in the past decade, little is known about the computational complexity of quantum physics at the thermodynamic limit. In fact, even defining the problem properly is not straight forward. We study the complexity of estimating the ground energy of a fixed, translationally-invariant (TI) Hamiltonian in the thermodynamic limit, to within a given precision; this precision (given by n the number of bits of the approximation) is the sole input to the problem. Understanding the complexity of this problem captures how difficult it is for a physicist to measure or compute another digit in the approximation of a physical quantity in the thermodynamic limit. We show that this problem is contained in FEXPQMA-EXP and is hard for FEXPNEXP. This means that the problem is doubly exponentially hard in the size of the input.
Despite immense progress in quantum Hamiltonian complexity in the past decade, little is known about the computational complexity of quantum physics at the thermodynamic limit. In fact, even defining the problem properly is not straight forward. We study the complexity of estimating the ground energy of a fixed, translationally-invariant (TI) Hamiltonian in the thermodynamic limit, to within a given precision; this precision (given by n the number of bits of the approximation) is the sole input to the problem. Understanding the complexity of this problem captures how difficult it is for a physicist to measure or compute another digit in the approximation of a physical quantity in the thermodynamic limit. We show that this problem is contained in FEXP QMA-EXP and is hard for FEXP NEXP . This means that the problem is doubly exponentially hard in the size of the input. As an ingredient in our construction, we study the problem of computing the ground energy of translationally invariant finite 1D chains. A single Hamiltonian term, which is a fixed parameter of the problem, is applied to every pair of particles in a finite chain. In the finite case, the length of the chain is the sole input to the problem and the task is to compute an approximation of the ground energy. No thresholds are provided as in the standard formulation of the local Hamiltonian problem. We show that this problem is contained in FP QMA-EXP and is hard for FP NEXP . Our techniques employ a circular clock structure in which the ground energy is calibrated by the length of the cycle. This requires more precise expressions for the ground energies of the resulting matrices than were required for previous QMA-completeness constructions and even exact analytical bounds for the infinite case which we derive using techniques from spectral graph theory. To our knowledge, this is the first use of the circuit-to-Hamiltonian construction that shows hardness for a function class.
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.
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.
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]).