The sign problem limits determinant quantum Monte Carlo studies of strongly correlated fermion systems. In the spin-channel Hubbard-Stratonovich decoupling, spin correlations are exactly related to auxiliary-field correlations. This relation implies that an antiferromagnetic transition reorganizes auxiliary-field configurations and thereby changes the statistical structure of the resulting fermion matrices. We use the adjacent gap ratio of low-lying singular values of the space-time fermion matrix to probe interaction-driven transitions in two half-filled honeycomb-lattice Hubbard models. In the sign-free honeycomb Hubbard model, the statistic tracks the established transition from a Dirac semimetal to an antiferromagnetic Mott insulator. In the complex-weight Haldane-Hubbard model, the transition-sensitive feature remains visible in the phase-quenched reference ensemble and occurs near previous estimates of the transition. Moreover, phase reweighting only weakly modifies the gap ratio over the regimes investigated, despite the rapid suppression of the average phase. These results establish singular-value statistics as a sign-problem-resilient probe of interaction-driven transitions in determinant quantum Monte Carlo.
The sign problem limits determinant quantum Monte Carlo studies of strongly correlated fermion systems. In the spin-channel Hubbard-Stratonovich decoupling, spin correlations are exactly related to auxiliary-field correlations. This relation implies that an antiferromagnetic transition reorganizes auxiliary-field configurations and thereby changes the statistical structure of the resulting fermion matrices. We use the adjacent gap ratio of low-lying singular values of the space-time fermion matrix to probe interaction-driven transitions in two half-filled honeycomb-lattice Hubbard models. In the sign-free honeycomb Hubbard model, the statistic tracks the established transition from a Dirac semimetal to an antiferromagnetic Mott insulator. In the complex-weight Haldane-Hubbard model, the transition-sensitive feature remains visible in the phase-quenched reference ensemble and occurs near previous estimates of the transition. Moreover, phase reweighting only weakly modifies the gap ratio over the regimes investigated, despite the rapid suppression of the average phase. These results establish singular-value statistics as a sign-problem-resilient probe of interaction-driven transitions in determinant quantum Monte Carlo.
Quantum simulations are a powerful tool for exploring strongly correlated many-body phenomena. Yet, their reach is limited by the fermion sign problem, which causes configuration weights to become negative, compromising statistical sampling. In auxiliary-field Quantum Monte Carlo calculations of the doped Hubbard model, neglecting the sign S of the weight leads to qualitatively wrong results -- most notably, an apparent suppression rather than enhancement of d-wave pairing at low temperature. Here we approach the problem from a different perspective: instead of identifying negative-weight paths, we examine the statistics of measured observables in a sign-resolved manner. By analyzing histograms of key quantities (kinetic energy, antiferromagnetic structure factor, and pair susceptibilities) for configurations with S=±1, we derive an exact relation linking the bias from ignoring the sign to the difference between sign-resolved means, Δμ, and the average sign, ⟨S⟩. Our framework provides a precise diagnostic of the origin of measurement bias in Quantum Monte Carlo and clarifies why observables such as the d-wave susceptibility are especially sensitive to the sign problem.
The sign problem is the fundamental limitation to quantum Monte Carlo simulations of the statistical mechanics of interacting fermions. Determinant quantum Monte Carlo (DQMC) is one of the leading methods to study lattice fermions, such as the Hubbard Hamiltonian, which describe strongly correlated phenomena including magnetism, metal-insulator transitions, and possibly exotic superconductivity. Here, we provide a comprehensive dataset on the geometry dependence of the DQMC sign problem for different densities, interaction strengths, temperatures, and spatial lattice sizes. We supplement these data with several observations concerning general trends in the data, including the dependence on spatial volume and how this can be probed by examining decoupled clusters, the scaling of the sign in the vicinity of a particle-hole symmetric point, and the correlation between the total sign and the signs for the individual spin species.
Quantum magic---the resource that separates universal quantum computation from efficiently simulable Clifford circuits---has emerged as a diagnostic of many-body quantum states, yet the stabilizer Rényi entropy (SRE) that quantifies it remains largely inaccessible in interacting fermion systems. Estimating the global SRE requires a sum over exponentially many Majorana strings, which in determinant quantum Monte Carlo can be sampled without a sign problem only for the interacting density matrix obtained after averaging the auxiliary fields: sampling strings and fields simultaneously incurs a sign problem even for sign-problem-free models, so that the known sign-free alternative is a nested Monte Carlo that does not scale. We propose instead the two-point SRE---a practical stabilizer-Rényi correlator built from rank-2 SREs of one- and two-site reduced density matrices, which are fixed exactly by single-particle Green functions and density correlations already measured in standard simulations---and show that it obeys universal finite-size scaling at fermionic quantum critical points. In the one-dimensional half-filled spinless t-V chain, the correlator distinguishes algebraic and exponential decay regimes and tracks the inverse-logarithmic finite-size drift characteristic of the Berezinskii--Kosterlitz--Thouless transition. On the honeycomb lattice, sign-problem-free quantum Monte Carlo yields Gross--Neveu--Ising scaling with finite anomalous dimension at zero temperature and two-dimensional Ising collapse at the thermal transition. Our results suggest stabilizer-Rényi microscopy as a spatially resolved, quantitatively universal probe of critical correlations in interacting fermionic matter, on par with conventional order-parameter correlators and accessible to quantum-simulator measurements.
The ``dynamic'' Hubbard Hamiltonian describes interacting fermions on a lattice whose on-site repulsion is modulated by a coupling to a fluctuating bosonic field. We investigate one such model, introduced by Hirsch, using the determinant quantum Monte Carlo method. Our key result is that the extended s-wave pairing vertex, repulsive in the usual static Hubbard model, becomes attractive as the coupling to the fluctuating Bose field increases. The sign problem prevents us from exploring a low enough temperature to see if a superconducting transition occurs. We also observe a stabilization of antiferromagnetic correlations and the Mott gap near half-filling, and a near linear behavior of the energy as a function of particle density which indicates a tendency toward phase separation.
Auxiliary field quantum Monte Carlo simulations of interacting fermions require sampling over a Hubbard-Stratonovich field h introduced to decouple the interactions. The weight for a given configuration involves the products of the determinant of matrices ${M}_{\ensuremath{\sigma}}(h)$, where $\ensuremath{\sigma}$ labels the species, and hence is typically not positive definite. Indeed, the average sign $\ensuremath{\langle}\mathcal{S}\ensuremath{\rangle}$ of the determinants goes to zero exponentially with increasing spatial size and decreasing temperature for most Hamiltonians of interest. This statement, however, does not explicitly separate two possible origins for the vanishing of $\ensuremath{\langle}\mathcal{S}\ensuremath{\rangle}$. Does $\ensuremath{\langle}\mathcal{S}\ensuremath{\rangle}\ensuremath{\rightarrow}0$ because randomly chosen field configurations have det[M(h)]<0, or does the sign problem arise because the specific subset of configurations chosen by the weighting function have a greater preponderance of negative values? In the latter case, the process of weighting the configurations with ∣det[M(h)]∣ might steer the simulation to a region of configuration space of h where positive and negative determinants are equally likely, even though randomly chosen h would preferentially have determinants with a single dominant sign. In this paper, we address the relative importance of these two mechanisms for the vanishing of $\ensuremath{\langle}\mathcal{S}\ensuremath{\rangle}$ in quantum simulations.
The auxiliary-field quantum Monte Carlo method is reviewed. The Hubbard-Stratonovich transformation converts an interacting Hamiltonian into a non-interacting Hamiltonian in a time-dependent stochastic field, allowing calculation of the resulting functional integral by Monte Carlo methods. The method is presented in a sufficiently general form to be applicable to any Hamiltonian with one- and two-body terms, with special reference to the Heisenberg model and one- and many-band Hubbard models. Many physical correlation functions can be related to correlation functions of the auxiliary field; general results are given here. Issues relating to the choice of auxiliary fields are addressed; operator product identities change the relative dimensionalities of the attractive and repulsive parts of the interaction. Frequently the integrand is not positive-definite, rendering numerical evaluation unstable. If the auxiliary field violates time-reversal invariance, the integrand is complex and this sign problem becomes a phase problem. The origin of this sign or phase is examined from a number of geometrical and other viewpoints and illustrated by simple examples: the phase problem by the spin (1/2) Heisenberg model, and the sign problem by the attractive SU(N) Hubbard model on a triangular molecule with negative hopping integrals. In the latter case, widely studied in the Jahn-Teller literature, the sign is due neither to fermions nor spin, but to frustration. This system is used to illustrate a number of suggested interpretations of the sign problem.