Use of Quantum Sampling to Calculate Mean Values of Observables and Partition Function of a Quantum System

We describe an algorithm for using a quantum computer to calculate mean values of observables and the partition function of a quantum system. Our algorithm includes two sub-algorithms. The first sub-algorithm is for calculating, with polynomial efficiency, certain diagonal matrix elements of an observable. This sub-algorithm is performed on a quantum computer, using quantum phase estimation and tomography. The second sub-algorithm is for sampling a probability distribution. This sub-algorithm is not polynomially efficient. It can be performed either on a classical or a quantum computer, but a quantum computer can perform it quadratically faster.Comment: V1-12 pages(5 files: 1.tex, 3 .sty, 1 .eps);V2-minor changes;V3-minor changes and extension of scenario(c

Near-Optimal Quantum Algorithms for Multivariate Mean Estimation

We propose the first near-optimal quantum algorithm for estimating in Euclidean norm the mean of a vector-valued random variable with finite mean and covariance. Our result aims at extending the theory of multivariate sub-Gaussian estimators to the quantum setting. Unlike classically, where any univariate estimator can be turned into a multivariate estimator with at most a logarithmic overhead in the dimension, no similar result can be proved in the quantum setting. Indeed, Heinrich ruled out the existence of a quantum advantage for the mean estimation problem when the sample complexity is smaller than the dimension. Our main result is to show that, outside this low-precision regime, there is a quantum estimator that outperforms any classical estimator. Our approach is substantially more involved than in the univariate setting, where most quantum estimators rely only on phase estimation. We exploit a variety of additional algorithmic techniques such as amplitude amplification, the Bernstein-Vazirani algorithm, and quantum singular value transformation. Our analysis also uses concentration inequalities for multivariate truncated statistics. We develop our quantum estimators in two different input models that showed up in the literature before. The first one provides coherent access to the binary representation of the random variable and it encompasses the classical setting. In the second model, the random variable is directly encoded into the phases of quantum registers. This model arises naturally in many quantum algorithms but it is often incomparable to having classical samples. We adapt our techniques to these two settings and we show that the second model is strictly weaker for solving the mean estimation problem. Finally, we describe several applications of our algorithms, notably in measuring the expectation values of commuting observables and in the field of machine learning.Comment: 35 pages, 1 figure; v2: minor change

Simulating Quantum Mean Values in Noisy Variational Quantum Algorithms: A Polynomial-Scale Approach

Large-scale variational quantum algorithms possess an expressive capacity that is beyond the reach of classical computers and is widely regarded as a potential pathway to achieving practical quantum advantages. However, the presence of quantum noise might suppress and undermine these advantages, which blurs the boundaries of classical simulability. To gain further clarity on this matter, we present a novel polynomial-scale method that efficiently approximates quantum mean values in variational quantum algorithms with bounded truncation error in the presence of independent single-qubit depolarizing noise. Our method is based on path integrals in the Pauli basis. We have rigorously proved that, for a fixed noise rate $\lambda$, our method's time and space complexity exhibits a polynomial relationship with the number of qubits $n$, the circuit depth $L$, the inverse truncation error $\frac{1}{\varepsilon}$, and the inverse success probability $\frac{1}{\delta}$. Furthermore, We also prove that computational complexity becomes $\mathrm{Poly}\left(n,L\right)$ when the noise rate $\lambda$ exceeds $\frac{1}{\log{L}}$ and it becomes exponential with $L$ when the noise rate $\lambda$ falls below $\frac{1}{L}$

Predicting Expressibility of Parameterized Quantum Circuits using Graph Neural Network

Parameterized Quantum Circuits (PQCs) are essential to quantum machine learning and optimization algorithms. The expressibility of PQCs, which measures their ability to represent a wide range of quantum states, is a critical factor influencing their efficacy in solving quantum problems. However, the existing technique for computing expressibility relies on statistically estimating it through classical simulations, which requires many samples. In this work, we propose a novel method based on Graph Neural Networks (GNNs) for predicting the expressibility of PQCs. By leveraging the graph-based representation of PQCs, our GNN-based model captures intricate relationships between circuit parameters and their resulting expressibility. We train the GNN model on a comprehensive dataset of PQCs annotated with their expressibility values. Experimental evaluation on a four thousand random PQC dataset and IBM Qiskit's hardware efficient ansatz sets demonstrates the superior performance of our approach, achieving a root mean square error (RMSE) of 0.03 and 0.06, respectively

Classical and Quantum Complexity of the Sturm-Liouville Eigenvalue Problem

We study the approximation of the smallest eigenvalue of a Sturm-Liouville problem in the classical and quantum settings. We consider a univariate Sturm-Liouville eigenvalue problem with a nonnegative function $q$ from the class $C^2([0,1])$ and study the minimal number n(\e) of function evaluations or queries that are necessary to compute an \e-approximation of the smallest eigenvalue. We prove that n(\e)=\Theta(\e^{-1/2}) in the (deterministic) worst case setting, and n(\e)=\Theta(\e^{-2/5}) in the randomized setting. The quantum setting offers a polynomial speedup with {\it bit} queries and an exponential speedup with {\it power} queries. Bit queries are similar to the oracle calls used in Grover's algorithm appropriately extended to real valued functions. Power queries are used for a number of problems including phase estimation. They are obtained by considering the propagator of the discretized system at a number of different time moments. They allow us to use powers of the unitary matrix $\exp(\tfrac12 {\rm i}M)$, where $M$ is an $n\times n$ matrix obtained from the standard discretization of the Sturm-Liouville differential operator. The quantum implementation of power queries by a number of elementary quantum gates that is polylog in $n$ is an open issue.Comment: 33 page