Numerical sign problem

About: Numerical sign problem is a research topic. Over the lifetime, 122 publications have been published within this topic receiving 3490 citations.

Computational complexity and fundamental limitations to fermionic quantum Monte Carlo simulations

Abstract: Quantum Monte Carlo simulations, while being efficient for bosons, suffer from the "negative sign problem" when applied to fermions--causing an exponential increase of the computing time with the number of particles. A polynomial time solution to the sign problem is highly desired since it would provide an unbiased and numerically exact method to simulate correlated quantum systems. Here we show that such a solution is almost certainly unattainable by proving that the sign problem is nondeterministic polynomial (NP) hard, implying that a generic solution of the sign problem would also solve all problems in the complexity class NP in polynomial time.

New approach to the sign problem in quantum field theories: High density QCD on a Lefschetz thimble

Abstract: It is sometimes speculated that the sign problem that afflicts many quantum field theories might be reduced or even eliminated by choosing an alternative domain of integration within a complexified extension of the path integral (in the spirit of the stationary phase integration method). In this paper we start to explore this possibility somewhat systematically. A first inspection reveals the presence of many difficulties but---quite surprisingly---most of them have an interesting solution. In particular, it is possible to regularize the lattice theory on a Lefschetz thimble, where the imaginary part of the action is constant and disappears from all observables. This regularization can be justified in terms of symmetries and perturbation theory. Moreover, it is possible to design a Monte Carlo algorithm that samples the configurations in the thimble. This is done by simulating, effectively, a five-dimensional system. We describe the algorithm in detail and analyze its expected cost and stability. Unfortunately, the measure term also produces a phase which is not constant and it is currently very expensive to compute. This residual sign problem is expected to be much milder, as the dominant part of the integral is not affected, but we have still no convincing evidence of this. However, the main goal of this paper is to introduce a new approach to the sign problem, that seems to offer much room for improvements. An appealing feature of this approach is its generality. It is illustrated first in the simple case of a scalar field theory with chemical potential, and then extended to the more challenging case of QCD at finite baryonic density.

The Probability That a Numerical, Analysis Problem Is Difficult

Abstract: Numerous problems in numerical analysis, including matrix inversion, eigenvalue calculations and polynomial zerofinding, share the following property: The difficulty of solving a given problem is large when the distance from that problem to the nearest "ill-posed" one is small. For example, the closer a matrix is to the set of noninvertible matrices, the larger its condition number with respect to inversion. We show that the sets of ill-posed problems for matrix inversion, eigenproblems, and polynomial zerofinding all have a common algebraic and geometric structure which lets us compute the probability distribution of the distance from a "random" problem to the set. From this probability distribution we derive, for example, the distribution of the condition number of a random matrix. We examine the relevance of this theory to the analysis and construction of numerical algorithms destined to be run in finite precision arithmetic.

Monte Carlo simulations on the Lefschetz thimble: Taming the sign problem

Abstract: We present the first practical Monte Carlo calculations of the recently proposed Lefschetz thimble formulation of quantum field theories. Our results provide strong evidence that the numerical sign problem that afflicts Monte Carlo calculations of models with complex actions can be softened significantly by changing the domain of integration to the Lefschetz thimble or approximations thereof. We study the interacting complex scalar field theory (relativistic Bose gas) in lattices of size up to ${8}^{4}$ using a computationally inexpensive approximation of the Lefschetz thimble. Our results are in excellent agreement with known results. We show that---at least in the case of the relativistic Bose gas---the thimble can be systematically approached and the remaining residual phase leads to a much more tractable sign problem (if at all) than the original formulation. This is especially encouraging in view of the wide applicability---in principle---of our method to quantum field theories with a sign problem. We believe that this opens up new possibilities for accurate Monte Carlo calculations in strongly interacting systems of sizes much larger that previously possible.