论文标题
通过引入“幽灵” Pauli产品来改进量子测量
Improving quantum measurements by introducing "ghost" Pauli products
论文作者
论文摘要
减少估计可观察到的预期值所需的测量数量对于变异量子本元素与最先进的经典算法具有竞争力至关重要。为了测量复杂的可观察物,例如分子电子哈密顿量,一种常见的策略之一是将可观察到的可观察到的可观察到的策略划分为相互交换的Pauli产品的线性组合(片段)。然后,获得期望值的测量总数与单个片段的方差之和成正比。我们提出了一种方法,可以通过修改片段而不改变总可观察到的期望值来降低单个碎片差异。我们的方法是基于添加与多个碎片成员兼容的Pauli产品(“幽灵”)。总的期望值不会改变,因为引入几个片段的每种“幽灵”产品的系数总和为零。然而,由于每个碎片中“鬼”产品的不断贡献,这些增加改变了单个碎片差异。提出的算法使用量子波函数的经典效率近似来最大程度地减少单个片段方差,以进行方差估计。与其他最近开发的技术相比,对一些分子电子哈密顿预期值的数值测试显示,“幽灵” Pauli算法中的测量次数减少了几倍。
Reducing the number of measurements required to estimate the expectation value of an observable is crucial for the variational quantum eigensolver to become competitive with state-of-the-art classical algorithms. To measure complicated observables such as a molecular electronic Hamiltonian, one of the common strategies is to partition the observable into linear combinations (fragments) of mutually commutative Pauli products. The total number of measurements for obtaining the expectation value is then proportional to the sum of variances of individual fragments. We propose a method that lowers individual fragment variances by modifying the fragments without changing the total observable expectation value. Our approach is based on adding Pauli products ("ghosts") that are compatible with members of multiple fragments. The total expectation value does not change because a sum of coefficients for each "ghost" Pauli product introduced to several fragments is zero. Yet, these additions change individual fragment variances because of the non-vanishing contributions of "ghost" Pauli products within each fragment. The proposed algorithm minimizes individual fragment variances using a classically efficient approximation of the quantum wavefunction for variance estimations. Numerical tests on a few molecular electronic Hamiltonian expectation values show several-fold reductions in the number of measurements in the "ghost" Pauli algorithm compared to those in the other recently developed techniques.