Mapping functions on bits to Hamiltonians acting on qubits has many applications in quantum computing. In particular, Hamiltonians representing Boolean functions are required for applications of quantum annealing or the quantum approximate optimization algorithm to combinatorial optimization problems. We show how such functions are naturally represented by Hamiltonians given as sums of Pauli Z operators (Ising spin operators) with the terms of the sum corresponding to the function’s Fourier expansion. For many classes of Boolean functions which are given by a compact description, such as a Boolean formula in conjunctive normal form that gives an instance of the satisfiability problem, it is #P-hard to compute its Hamiltonian representation, i.e., as hard as computing its number of satisfying assignments. On the other hand, no such difficulty exists generally for constructing Hamiltonians representing a real function such as a sum of local Boolean clauses each acting on a fixed number of bits as is common in constraint satisfaction problems. We show composition rules for explicitly constructing Hamiltonians representing a wide variety of Boolean and real functions by combining Hamiltonians representing simpler clauses as building blocks, which are particularly suitable for direct implementation as classical software. We further apply our results to the construction of controlled-unitary operators, and to the special case of operators that compute function values in an ancilla qubit register. Finally, we outline several additional applications and extensions of our results to quantum algorithms for optimization. A goal of this work is to provide a design toolkit for quantum optimization which may be utilized by experts and practitioners alike in the construction and analysis of new quantum algorithms, and at the same time to provide a unified framework for the various constructions appearing in the literature.
Mapping functions on bits to Hamiltonians acting on qubits has many applications in quantum computing. In particular, Hamiltonians representing Boolean functions are required for applications of quantum annealing or the quantum approximate optimization algorithm to combinatorial optimization problems. We show how such functions are naturally represented by Hamiltonians given as sums of Pauli Z operators (Ising spin operators) with the terms of the sum corresponding to the function’s Fourier expansion. For many classes of Boolean functions which are given by a compact description, such as a Boolean formula in conjunctive normal form that gives an instance of the satisfiability problem, it is #P-hard to compute its Hamiltonian representation, i.e., as hard as computing its number of satisfying assignments. On the other hand, no such difficulty exists generally for constructing Hamiltonians representing a real function such as a sum of local Boolean clauses each acting on a fixed number of bits as is common in constraint satisfaction problems. We show composition rules for explicitly constructing Hamiltonians representing a wide variety of Boolean and real functions by combining Hamiltonians representing simpler clauses as building blocks, which are particularly suitable for direct implementation as classical software. We further apply our results to the construction of controlled-unitary operators, and to the special case of operators that compute function values in an ancilla qubit register. Finally, we outline several additional applications and extensions of our results to quantum algorithms for optimization. A goal of this work is to provide a design toolkit for quantum optimization which may be utilized by experts and practitioners alike in the construction and analysis of new quantum algorithms, and at the same time to provide a unified framework for the various constructions appearing in the literature.
Quantum annealing machines are next-generation computers for solving combinatorial optimization problems. Although physical simulations are one of the most promising applications of quantum annealing machines, a method how to embed the target problem into the machines has not been developed except for certain simple examples. In this study, we focus on a method of representing real numbers using binary variables, or quantum bits. One of the most important problems for conducting physical simulation by quantum annealing machines is how to represent the real number with quantum bits. The variables in physical simulations are often represented by real numbers but real numbers must be represented by a combination of binary variables in quantum annealing, such as quadratic unconstrained binary optimization (QUBO). Conventionally, real numbers have been represented by assigning each digit of their binary number representation to a binary variable. Considering the classical annealing point of view, we noticed that when real numbers are represented in binary numbers, there are numbers that can only be reached by inverting several bits simultaneously under the restriction of not increasing a given Hamiltonian, which makes the optimization very difficult. In this work, we propose three new types of real number representation and compared these representations under the problem of solving linear equations. As a result, we found experimentally that the accuracy of the solution varies significantly depending on how the real numbers are represented. We also found that the most appropriate representation depends on the size and difficulty of the problem to be solved and that these differences show a consistent trend for two annealing solvers. Finally, we explain the reasons for these differences using simple models, the minimum required number of simultaneous bit flips, one-way probabilistic bit-flip energy minimization, and simulation of ideal quantum annealing machine.
Quantum computation appears to offer significant advantages over classical computation and this has generated a tremendous interest in the field. In this thesis we study the application of quantum computers to computational problems in science and engineering, and to combinatorial optimization problems. We outline the results below. Algorithms for scientific computing require modules, i.e., building blocks, implementing elementary numerical functions that have well-controlled numerical error, are uniformly scalable and reversible, and that can be implemented efficiently. We derive quantum algorithms and circuits for computing square roots, logarithms, and arbitrary fractional powers, and derive worst-case error and cost bounds. We describe a modular approach to quantum algorithm design as a first step towards numerical standards and mathematical libraries for quantum scientific computing. A fundamental but computationally hard problem in physics is to solve the time-independent Schrödinger equation. This is accomplished by computing the eigenvalues of the corresponding Hamiltonian operator. The eigenvalues describe the different energy levels of a system. The cost of classical deterministic algorithms computing these eigenvalues grows exponentially with the number of system degrees of freedom. The number of degrees of freedom is typically proportional to the number of particles in a physical system. We show an efficient quantum algorithm for approximating a constant number of low-order eigenvalues of a Hamiltonian using a perturbation approach. We apply this algorithm to a special case of the Schrödinger equation and show that our algorithm succeeds with high probability, and has cost that scales polynomially with the number of degrees of freedom and the reciprocal of the desired accuracy. This improves and extends earlier results on quantum algorithms for estimating the ground state energy. We consider the simulation of quantum mechanical systems on a quantum computer. We show a novel divide and conquer approach for Hamiltonian simulation. Using the Hamiltonian structure, we can obtain faster simulation algorithms. Considering a sum of Hamiltonians we split them into groups, simulate each group separately, and combine the partial results. Simulation is customized to take advantage of the properties of each group, and hence yield refined bounds to the overall simulation cost. We illustrate our results using the electronic structure problem of quantum chemistry, where we obtain significantly improved cost estimates under mild assumptions. We turn to combinatorial optimization problems. An important open question is whether quantum computers provide advantages for the approximation of classically hard combinatorial problems. A promising recently proposed approach of Farhi et al. is the Quantum Approximate Optimization Algorithm (QAOA). We study the application of QAOA to the Maximum Cut problem, and derive analytic performance bounds for the lowest circuit-depth realization, for both general and special classes of graphs. Along the way, we develop a general procedure for analyzing the performance of QAOA for other problems, and show an example demonstrating the difficulty of obtaining similar results for greater depth. We show a generalization of QAOA and its application to wider classes of combinatorial optimization problems, in particular, problems with feasibility constraints. We introduce the Quantum Alternating Operator Ansatz, which utilizes more general unitary operators than the original QAOA proposal. Our framework facilitates low-resource implementations for many applications which may be particularly suitable for early quantum computers. We specify design criteria, and develop a set of results and tools for mapping diverse problems to explicit quantum circuits. We derive constructions for several important prototypical problems including Maximum Independent Set, Graph Coloring, and the Traveling Salesman problem, and show appealing resource cost estimates for their implementations.
The next few years will be exciting as prototype universal quantum processors emerge, enabling the implementation of a wider variety of algorithms. Of particular interest are quantum heuristics, which require experimentation on quantum hardware for their evaluation and which have the potential to significantly expand the breadth of applications for which quantum computers have an established advantage. A leading candidate is Farhi et al.’s quantum approximate optimization algorithm, which alternates between applying a cost function based Hamiltonian and a mixing Hamiltonian. Here, we extend this framework to allow alternation between more general families of operators. The essence of this extension, the quantum alternating operator ansatz, is the consideration of general parameterized families of unitaries rather than only those corresponding to the time evolution under a fixed local Hamiltonian for a time specified by the parameter. This ansatz supports the representation of a larger, and potentially more useful, set of states than the original formulation, with potential long-term impact on a broad array of application areas. For cases that call for mixing only within a desired subspace, refocusing on unitaries rather than Hamiltonians enables more efficiently implementable mixers than was possible in the original framework. Such mixers are particularly useful for optimization problems with hard constraints that must always be satisfied, defining a feasible subspace, and soft constraints whose violation we wish to minimize. More efficient implementation enables earlier experimental exploration of an alternating operator approach, in the spirit of the quantum approximate optimization algorithm, to a wide variety of approximate optimization, exact optimization, and sampling problems. In addition to introducing the quantum alternating operator ansatz, we lay out design criteria for mixing operators, detail mappings for eight problems, and provide a compendium with brief descriptions of mappings for a diverse array of problems.
Combinatorial optimisation constitutes a central class of computational problems with broad relevance across science and industry, combining foundational theoretical interest with significant real-world impact. Many problems of practical importance admit concise mathematical formulations, yet resist efficient classical solution methods due to their NP-hard structure. Quantum computing offers several algorithmic paradigms that promise structural speedups for such problems. Most quantum and hybrid frameworks fall into one of the following three categories: algorithms based on continuous adiabatic evolution, such as quantum annealing; circuit-based variational quantum algorithms; circuit-based approaches based on Grover's algorithm. These three algorithmic families are conceptualised for different kinds and generations of quantum architectures, often studied in isolation from each other and from preexisting sophisticated classical methods. This thesis develops a unified, predominantly circuit-based treatment of quantum algorithms for combinatorial optimisation, with a particular focus on principled design transfers between near-term parametric algorithms and far-term fault-tolerant approaches. Starting from the Boolean circuit model, reversible and quantum circuit formulations are derived that allow for precise size and depth analysis of classical control logic, reversible embeddings, and quantum realisations of Boolean and pseudo-Boolean functions. These constructions form a common backbone for optimisation algorithms based on adiabatic evolution, variational principles, and amplitude amplification. Adiabatic quantum computation is analysed within this circuit framework, leading to explicit convergence conditions and resource bounds for discretised adiabatic evolutions driven by pseudo-Boolean cost functions of bounded degree. Variational quantum algorithms are then revisited with an emphasis on feasibility-preserving operations and mixing families. In this context, a novel class of exhaustive variational quantum algorithms is introduced, characterised by finite parameterisations that provably reach optimal solutions. These constructions naturally induce state-preparation routines that guarantee to generate superpositions of all feasible solutions. Finally, Grover’s algorithm and its generalisations are studied as optimisation methods, highlighting their structural dependence on feasible-state preparation and their conceptual proximity to variational and adiabatic approaches. By establishing explicit design transfer principles between these paradigms, this thesis provides a unified perspective on quantum optimisation algorithms, accompanied by concrete circuit constructions and quantitative resource analyses.
A quantum computer is similar to an ordinary computer, except that instead of bits it uses two-level quantum systems (qubits), and the usual logical operations on bits are replaced with noiseless quantum dynamics in the form of unitary gates or Hamiltonian interactions. Many sets of resources that are universal for quantum computation (that is, capable of implementing any quantum computation) have been found, but general conditions for universality are still only partially understood. Improving our understanding of these conditions contributes to two broad goals. On the one hand, understanding what class of physical systems is suitable for quantum computation allows us choose the systems that are most easily controlled or built in the laboratory. On the other hand, identifying the unifying characteristics of such a class provides insight into the fundamental physics responsible for the much greater computational power of quantum computers. The original results presented in this thesis are a contribution to our understanding of the physical requirements for universal quantum computation. These results lead to the identification of a new, large class of universal dynamics. More specifically, the main problem that is addressed is the following: consider a physical system that is made up of a finite number of qubits that are subject to a natural, fixed interaction described by a two-body Hamiltonian. Suppose we have the ability to control the system only by applying fast one-qubit operations. Under what conditions is this system capable of universal quantum computation? The first original result of the thesis is to prove that universal quantum computation is possible under these conditions given the single extra constraint that the Hamiltonian must entangle, or connect, all of the qubits. In other words, since a two-body Hamiltonian is expressible as a sum of coupling terms each of which acts nontrivially on a pair of qubits, consider the graph whose vertices correspond to qubits and whose edges connect qubits that are coupled by a term in the Hamiltonian. Then this Hamiltonian, together with fast one-qubit unitaries, is universal for quantum computation precisely when the corresponding graph is connected. This result suggests many potential generalizations, three of which are explored in this thesis. The first generalization is to show that the same result holds for a two-body Hamiltonian that acts on D-dimensional quantum systems (qudits), given fast one-qudit unitaries. A second extension is to the case of a many-body Hamiltonian, that is, a Hamiltonian that has coupling terms that act on more than two qubits. Again, we find that under mild restrictions, such Hamiltonians are universal provided they are connected and that arbitrary one-qubit unitaries are available. We also discover and explore some surprising structure in many-body Hamiltonians that is associated with the parity of the couplings. A third related problem that is addressed is the question of what two-qubit unitaries are universal for quantum computation. This problem was originally solved by J.-L. and R. Brylinski [BB02], who gave a technical proof of the universality of any two-qudit gate that is not the swap gate or a product of one-qudit unitaries, given one-qudit unitaries as a free resource. We develop an elementary and constructive proof for the case of qubits, and prove that our construction is very close to optimal in the number of uses of the two-qubit gate. Given a qualitative understanding of what dynamical resources are universal for quantum computation, it is natural to consider developing a quantitative measure of the usefulness of quantum dynamics for quantum information processing. This is done in the final chapter of the thesis, in which the beginnings of a quantitative theory of quantum dynamics are developed.
As the building block in symmetric cryptography, designing Boolean functions satisfying multiple properties is an important problem in sequence ciphers, block ciphers, and hash functions. However, the search of n-variable Boolean functions fulfilling global cryptographic constraints is computationally hard due to the super-exponential size O(22n) of the space. Here, we introduce a codification of the cryptographically relevant constraints in the ground state of an Ising Hamiltonian, allowing us to naturally encode it in a quantum annealer, which seems to provide a quantum speedup. Additionally, we benchmark small n cases in a D-Wave machine, showing its capacity of devising bent functions, the most relevant set of cryptographic Boolean functions. We have complemented it with local search and chain repair to improve the D-Wave quantum annealer performance related to the low connectivity. This work shows how to codify super-exponential cryptographic problems into quantum annealers and paves the way for reaching quantum supremacy with an adequately designed chip.