Overcoming the numerical sign problem in the Wigner dynamics via adaptive particle annihilation

TL;DR

This paper introduces SPADE, an adaptive particle annihilation algorithm that effectively mitigates the numerical sign problem in high-dimensional Wigner simulations by clustering particles based on discrepancy control, enabling efficient quantum dynamics modeling.

Contribution

The paper presents SPADE, a novel adaptive clustering method for particle annihilation that overcomes the curse of dimensionality in Wigner simulations, improving efficiency and accuracy.

Findings

SPADE effectively reduces the sign problem in 6-D and 12-D phase space.

Benchmark results show SPADE's accuracy comparable to grid-based deterministic solvers.

SPADE enables simulation of complex quantum systems with high-dimensional phase space.

Abstract

The infamous numerical sign problem poses a fundamental obstacle to particle-based stochastic Wigner simulations in high dimensional phase space. Although the existing particle annihilation via uniform mesh significantly alleviates the sign problem when dimensionality D $\le$ 4, the mesh size grows dramatically when D $\ge$ 6 due to the curse of dimensionality and consequently makes the annihilation very inefficient. In this paper, we propose an adaptive particle annihilation algorithm, termed Sequential-clustering Particle Annihilation via Discrepancy Estimation (SPADE), to overcome the sign problem. SPADE follows a divide-and-conquer strategy: Adaptive clustering of particles via controlling their number-theoretic discrepancies and independent random matching in each group, and it may learn the minimal amount of particles that can accurately capture the non-classicality of the Wigner function. Combining SPADE with the variance reduction technique based on the stationary phase approximation, we attempt to simulate the proton-electron couplings in 6-D and 12-D phase space. A thorough performance benchmark of SPADE is provided with the reference solutions in 6-D phase space produced by a characteristic-spectral-mixed scheme under a $73^3 \times 80^3$ uniform grid, which fully explores the limit of grid-based deterministic Wigner solvers.