In this chapter we discuss a quantum algorithm to estimate the gradient of a multivariate function, given access to a quantum circuit to compute the function. The core of the algorithm is a multidimensional version of phase estimation. After introducing the quantum gradient algorithm, we discuss two of its applications: an algorithm to extract the classical description of the vector describing a quantum state, and an algorithm to separate a point from a convex set when we only have an indirect description of the set, via an oracle that determines if a point belongs to it or not. Whereas algorithms discussed in previous chapters always output a scalar, in this chapter they output vectors. We also present an algorithm to create the natural quantum encoding of a given classical vector, which is used as a subroutine in a variety of quantum algorithms, sometimes to encode part of the input data.
In this chapter we discuss a quantum algorithm to estimate the gradient of a multivariate function, given access to a quantum circuit to compute the function. The core of the algorithm is a multidimensional version of phase estimation. After introducing the quantum gradient algorithm, we discuss two of its applications: an algorithm to extract the classical description of the vector describing a quantum state, and an algorithm to separate a point from a convex set when we only have an indirect description of the set, via an oracle that determines if a point belongs to it or not. Whereas algorithms discussed in previous chapters always output a scalar, in this chapter they output vectors. We also present an algorithm to create the natural quantum encoding of a given classical vector, which is used as a subroutine in a variety of quantum algorithms, sometimes to encode part of the input data.
This chapter covers the quantum algorithmic primitive called quantum gradient estimation, where the goal is to output an estimate for the gradient of a multivariate function. This primitive features in other primitives, for example, quantum tomography. It also features in several quantum algorithms for end-to-end problems in continuous optimization, finance, and machine learning, among other areas. The size of the speedup it provides depends on how the algorithm can access the function, and how difficult the gradient is to estimate classically.
In 2005, Jordan showed how to estimate the gradient of a real-valued function with a high-dimensional domain on a quantum computer. Subsequently, in 2017, it was shown by Gilyén et al. how to do this with a different input model. They also proved optimality of their algorithm for \\ell^\\infty -approximations of functions satisfying some smoothness conditions. In this text, we expand the ideas of Gilyén et al., and extend their algorithm such that functions with fewer regularity constraints can be used as input. Moreover, we show that their algorithm is essentially optimal in the query complexity to the phase oracle even for classes of functions that have more stringent smoothness conditions. Finally, we also prove that their algorithm is optimal for approximating gradients with respect to general \\ell^p -norms, where p \\in [1,\\infty]. Furthermore, we investigate how Gilyén et al.’s algorithm can be used to do reinforcement learning on a quantum computer. We elaborate on Montanaro’s ideas for quantum Monte-Carlo simulation, and show how they can be used to implement quantum value estimation of Markov reward processes. We also show essential optimality of this algorithm in the query complexity of all its oracles. Next, we show how we can construct a quantum policy evaluation algorithm, and how we can use these algorithms as subroutines in Gilyén et al.’s quantum gradient estimation algorithm to perform quantum policy optimization. The most important open questions remain whether it is possible to improve the query complexity of the extension of Gilyén et al.’s algorithm, when function classes containing functions of Gevrey-type 1 are used as input, as at the moment for this specific parameter setting the algorithm is not better than a very simple classical gradient estimation procedure. Improvement of this result would automatically improve the quantum policy optimization routine as well.
We consider a generic framework of optimization algorithms based on gradient descent. We develop a quantum algorithm that computes the gradient of a multi-variate real-valued function f : Rd → R by evaluating it at only a logarithmic number of times in superposition. Our algorithm is an improved version of Jordan's gradient computation algorithm [28], providing an approximation of the gradient ▽f with quadratically better dependence on the evaluation accuracy of f, for an important class of smooth functions. Furthermore, we show that objective functions arising from variational quantum circuits usually satisfy the necessary smoothness conditions, hence our algorithm provides a quadratic improvement in the complexity of computing their gradient. We also show that in a continuous phase-query model, our gradient computation algorithm has optimal query complexity up to poly-logarithmic factors, for a particular class of smooth functions. Moreover, we show that for low-degree multivariate polynomials our algorithm can provide exponential speedups compared to Jordan's algorithm in terms of the dimension d.One of the technical challenges in applying our gradient computation procedure for quantum optimization problems is the need to convert between a probability oracle (which is common in quantum optimization procedures) and a phase oracle (which is common in quantum algorithms) of the objective function f. We provide efficient subroutines to perform this delicate interconversion between the two types of oracles incurring only a logarithmic overhead, which might be of independent interest. Finally, using these tools we improve the runtime of prior approaches for training quantum auto-encoders, variational quantum eigensolvers (VQE), and quantum approximate optimization algorithms (QAOA).
We consider a generic framework of optimization algorithms based on gradient descent. We develop a quantum algorithm that computes the gradient of a multi-variate realvalued function f : ℝd → ℝ by evaluating it at only a logarithmic number of times in superposition. Our algorithm is an improved version of Jordan's gradient computation algorithm [28], providing an approximation of the gradient ▽f with quadratically better dependence on the evaluation accuracy of f, for an important class of smooth functions. Furthermore, we show that objective functions arising from variational quantum circuits usually satisfy the necessary smoothness conditions, hence our algorithm provides a quadratic improvement in the complexity of computing their gradient. We also show that in a continuous phase-query model, our gradient computation algorithm has optimal query complexity up to poly-logarithmic factors, for a particular class of smooth functions. Moreover, we show that for low-degree multivariate polynomials our algorithm can provide exponential speedups compared to Jordan's algorithm in terms of the dimension d. One of the technical challenges in applying our gradient computation procedure for quantum optimization problems is the need to convert between a probability oracle (which is common in quantum optimization procedures) and a phase oracle (which is common in quantum algorithms) of the objective function f. We provide efficient subroutines to perform this delicate interconversion between the two types of oracles incurring only a logarithmic overhead, which might be of independent interest. Finally, using these tools we improve the runtime of prior approaches for training quantum auto-encoders, variational quantum eigensolvers (VQE), and quantum approximate optimization algorithms (QAOA).
Along with the development of quantum technology, finding useful applications of quantum computers has been a central pursuit. Despite various quantum algorithms have been developed, many of them often require strong input assumptions, which is hardware demanding. In particular, recent advances on dequantization have revealed that the quantum advantage is more of a mere artifact of strong input assumptions. In this work, we propose a variant of these algorithms, leveraging both classical and quantum resources. Provided the classical knowledge (the entries) of the matrix/vector of interest, a classical procedure is used to pre-process this information. Then they are fed into a quantum circuit which is shown to be a block encoding of the matrix of interest. From this block-encoding, we show how to use it to tackle a wide range of problems, including principal component analysis, linear equation solving, Hamiltonian simulation, preparing ground state, and data fitting. We also analyze our protocol, showing that both the classical and quantum procedure can achieve logarithmic complexity in the input dimension, thus implying its potential for near term realization. We then discuss several implications and corollaries of our result. First,, our results suggest there are certain matrices/Hamiltonians where our method can provide exponential improvement compared to the existing ones with respect to the sparsity. Regarding dense linear systems, our method achieves exponential speed-up with respect to the inverse of error tolerance, compared to the best previously known quantum algorithm for dense systems. Last, and most importantly, regarding quantum data fitting, we show how the output of our quantum algorithms can be leveraged to predict unseen data. Thus, it provides an end-to-end application, which has been an open aspect of the previous quantum data fitting algorithm.
Abstract In this chapter, we present quantum algorithms to approximate Hamiltonian eigenstates. We start discussing the quantum phase estimation algorithms, an important subroutine that allows us to approximate eigenpairs of a Hamiltonian operator given an initial guess and a quantum circuit implementing the time evolution operator. We then present the adiabatic state preparation, a technique to transform the ground state of a Hamiltonian into the ground state of another Hamiltonian. We describe two important heuristic methods, the quantum approximate optimization algorithm, and the variational quantum eigensolver. The second part of the chapter discusses concrete applications in the field of quantum chemistry. After introducing the Born-Oppenheimer Hamiltonian in second quantization and the Hartree-Fock method, we illustrate how a chemical problem can be mapped onto a quantum computer. We conclude the chapter with the simulation of the hydrogen molecule in a minimal basis with the iterative phase estimation algorithm.