This section details several optimization algorithms. The variational quantum eigensolver is presented, which allows finding a minimum eigenvalue for a given Hamiltonian. This section also includes extensive notes on performing measurements in arbitrary bases. After a brief introduction of the quantum approximate optimization algorithm, the chapter further discusses the quantum maximum cut algorithm and the quantum subset sum algorithm in great detail.
This section details several optimization algorithms. The variational quantum eigensolver is presented, which allows finding a minimum eigenvalue for a given Hamiltonian. This section also includes extensive notes on performing measurements in arbitrary bases. After a brief introduction of the quantum approximate optimization algorithm, the chapter further discusses the quantum maximum cut algorithm and the quantum subset sum algorithm in great detail.
In this chapter, we will take a look at the various optimization techniques that use quantum computing in their formulation. A couple of such algorithms that we are going to work through in great detail are the variational quantum eigensolver, popularly known as VQE, and the quantum approximate optimization algorithm, also known as QAOA. The central idea in both methods is to define cost objectives as an expectation of appropriate Hamiltonians pertaining to quantum systems. Based on the maximization or minimization problem, we look to derive the maximum or minimum eigenvalue state through these optimization techniques. Both of these methods are variational in that they combine both quantum and classical methods for the optimization. Since the topic is centered around Hamiltonians, we will study the popular Isling Hamiltonian model as well in this chapter. Similarly, the QAOA technique is based on the adiabatic evolution of a quantum system, and hence we will study its underlying math in great detail in this chapter.
This chapter details many of the fundamental quantum algorithms with full mathematical derivations and code. It discusses the quantum Fourier transform (QFT), arithmetic in the Fourier domain quantum phase estimation,Shor’s famous factorization algorithm and its quantum order-finding component, Grover’s search algorithm, amplitude amplification, and quantum counting, as well as quantum random walks. From the field of quantum simulation, the chapter discusses the variational quantum eigensolver, measurement in the Pauli bases, the quantum approximate optimization algorithm (QAOA), the NP-complete graph Max-Cut problem, and the related Subset Sum problem. The chapter concludes with an in-depth discussion of the elegant Solovay–Kitaev algorithm for gate approximation.
Quantum optimization allows for up to exponential quantum speedups for specific, possibly industrially relevant problems. As the key algorithm in this field, we motivate and discuss the Quantum Approximate Optimization Algorithm (QAOA), which can be understood as a slightly generalized version of Quantum Annealing for gate-based quantum computers. We delve into the quantum circuit implementation of the QAOA, including Hamiltonian simulation techniques for higher-order Ising models, and discuss parameter training using the parameter shift rule. An example implementation with Pennylane source code demonstrates practical application for the Maximum Cut problem. Further, we show how constraints can be incorporated into the QAOA using Grover mixers, allowing to restrict the search space to strictly valid solutions for specific problems. Finally, we outline the Variational Quantum Eigensolver (VQE) as a generalization of the QAOA, highlighting its potential in the NISQ era and addressing challenges such as barren plateaus and ansatz design.
This chapter introduces variational quantum algorithms, a class of hybrid methods that leverage parametrized quantum circuits and classical optimization to solve problems in chemistry, optimization, and machine learning. Focusing on the variational quantum eigensolver and the quantum approximate optimization algorithm, we explore their algorithmic structure, theoretical motivation, and practical implementation on near-term devices. We discuss key challenges such as barren plateaus, ansatz design, and measurement overhead, as well as opportunities for adaptive circuits, noise-aware optimization, and emerging applications in quantum machine learning. The chapter lays the foundation for understanding variational classifiers and generative models in subsequent chapters.
This document is a pdf version of the series of blogposts about variational quantum algorithms (VQA) I originally posted on my blog Musty Thoughts. It provides an explanation of the basic variational algorithms, such as Variational Quantum Eigensolver (VQE) and Quantum Approximate Optimization Algorithm (QAOA), as well as a more general framework for VQAs. It also describes some more advanced techniques that can be used to make these algorithms more efficient, as well as the challenges associated with using them.
These notes begin in Chapter 1 with a review of linear algebra and the postulates of quantum mechanics, leading to an explanation of single- and multi-qubit gates. Chapter 2 explores the challenge of constructing arbitrary quantum states from given initial states, and introduces circuits for building oracles. Chapter 3 presents foundational algorithms such as entanglement creation, quantum teleportation, Deutsch-Jozsa, Bernstein-Vazirani, and Simon's algorithm. Chapters 4 and 5 cover algorithms based on the quantum Fourier transform, including phase estimation, period finding, factoring, and logarithm computation. These chapters also include complexity analysis and detailed quantum circuits suitable for implementation in code. Chapter 6 introduces Grover's algorithm for quantum search and amplitude amplification, including its realization via Hamiltonian simulation and a method for derandomization. Chapter 7 discusses basic techniques for Hamiltonian simulation, such as Lie-Trotter decomposition, sparse Hamiltonians, and the linear combination of unitaries. It also provides example circuits for simulating Hamiltonians expressed as linear combinations of Pauli operators. Chapter 8 introduces variational quantum algorithms, and Chapter 9 presents an algorithm for simulating fermionic many-particle systems, with an emphasis on molecular Hamiltonians. It also outlines the key transformations needed to map a molecular Hamiltonian to a form suitable for simulation on a quantum computer.