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Constraint-Oriented Biased Quantum Search

Sören Wilkening

Published Jan 1, 2026• 0 citations
Publisher

Abstract

Quantum computing is a rapidly growing field, promising computational advancements with significant impact on real-world and industrial applications. These areas include cryptography, financial systems, material and drug discovery. They also cover combinatorial optimization, which is the focus of this thesis. For combinatorial optimization problems, researchers have spent several decades extending the capabilities of quantum algorithms for both near-term and far-term quantum hardware. Because current devices comprise too few qubits (quantum bits) and noisy gates (qubit operations prone to errors), potential quantum advantage must be assessed using theoretical and numerical frameworks. Despite the existence of many quantum algorithms, such as Grover’s algorithm and Quantum Branch-and-Bound (QB&B), which provide asymptotic speedups, we lack evidence of a practical quantum speedup on realistic problem instances. Recent benchmarking efforts show that several far-term algorithms with asymptotic advantage still cannot achieve practical quantum advantage under realistic conditions. This thesis comprises three advancements. First, it develops a new type of state preparation tailored to constraint optimization problems. This enables a Grover-based heuristic we call Constraint-oriented biased quantum search (CBQS). Second, it introduces benchmarking methods that compare the quantum search with state-of-the-art classical algorithms on large instances. These methods indicate that the proposed quantum algorithm can achieve a practical quantum advantage. For some cases, logical gate times of just 10−6s with about 19,000 logical qubits are enough to match classical runtime. Third, it presents a quantum circuit backend (software that processes quantum circuits) designed for speed at the cost of suboptimal circuit design. This backend outperforms a wide range of existing software packages in both speed and memory consumption, demonstrated by Quantum Fourier Transformation (QFT) circuits of up to 2000 qubits. Overall, this work points the way toward full-stack quantum advantage while underscoring the need for further research on topics such as quantum error correction.

DOI
10.15488/20719

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•Jan 1, 2020•1 citation
Quantum computing is a rapidly growing field, promising computational advancements with significant impact on real-world and industrial applications. These areas include cryptography, financial systems, material and drug discovery. They also cover combinatorial optimization, which is the focus of this thesis. For combinatorial optimization problems, researchers have spent several decades extending the capabilities of quantum algorithms for both near-term and far-term quantum hardware. Because current devices comprise too few qubits (quantum bits) and noisy gates (qubit operations prone to errors), potential quantum advantage must be assessed using theoretical and numerical frameworks. Despite the existence of many quantum algorithms, such as Grover’s algorithm and Quantum Branch-and-Bound (QB&B), which provide asymptotic speedups, we lack evidence of a practical quantum speedup on realistic problem instances. Recent benchmarking efforts show that several far-term algorithms with asymptotic advantage still cannot achieve practical quantum advantage under realistic conditions. This thesis comprises three advancements. First, it develops a new type of state preparation tailored to constraint optimization problems. This enables a Grover-based heuristic we call Constraint-oriented biased quantum search (CBQS). Second, it introduces benchmarking methods that compare the quantum search with state-of-the-art classical algorithms on large instances. These methods indicate that the proposed quantum algorithm can achieve a practical quantum advantage. For some cases, logical gate times of just 10−6s with about 19,000 logical qubits are enough to match classical runtime. Third, it presents a quantum circuit backend (software that processes quantum circuits) designed for speed at the cost of suboptimal circuit design. This backend outperforms a wide range of existing software packages in both speed and memory consumption, demonstrated by Quantum Fourier Transformation (QFT) circuits of up to 2000 qubits. Overall, this work points the way toward full-stack quantum advantage while underscoring the need for further research on topics such as quantum error correction.
We present a quantum algorithmic routine that extends the realm of Grover-based heuristics for tackling combinatorial optimization problems with arbitrary efficiently computable objective and constraint functions. Building on previously developed quantum methods that were primarily restricted to linear constraints, we generalize the approach to encompass a broader class of problems in discrete domains. To evaluate the potential of our algorithm, we assume the existence of sufficiently advanced logical quantum hardware. With this assumption, we demonstrate that our method has the potential to outperform state-of-the-art classical solvers and heuristics in terms of both runtime scaling and solution quality. The same may be true for more realistic implementations, as the logical quantum algorithm can achieve runtime savings of up to 102−10310^2-10^3102−103.
The semiconductor supply chain gives rise to many complex, large and heavily constrained combinatorial optimization problems. We derive simpler problems from these complex formulations and analyze quantum algorithms for their solution. We study two main regimes: variational algorithms derived from the Quantum Approximate Optimization Algorithm (QAOA) and quantum search algorithms based on Grover’s search algorithm and Amplitude Amplification. In the first case, the main challenge lies in integrating problem constraints into the QAOA framework, which was originally devised for unconstrained problems such as MaxCut. The canonical method of adding penalty terms to the objective leads to an undesirable inflation of the energy spectrum. Instead, we examine alternative problem encodings as well as constraint-preserving mixing operators, which are designed to limit the quantum algorithm to the subspace of feasible states. We make explicit suggestions for a wide selection of problems. In the second case, we operate under the premise that any quantum search protocol for combinatorial optimization must use tailored initial states– otherwise the square root speedup of quantum search is not enough to offset the exponential size of the search space in a combinatorial optimization problem. Consequently, we examine state preparation routines for a wide range or problems. The main devices lie in preparing superpositions of only feasible states and superpositions which are centered around a reference solution. We present a benchmarking technique, in an exact and an approximate version, which allows us to generate performance metrics for our algorithms based on quantum search. We use the benchmarking tools to carry out numerical studies for a selection of problems. We conclude that our variational methods tailored to constrained problems while technically sound– lead to deep quantum circuits which are not suitable for the NISQ machines which QAOA was originally developed for. Our conclusion for optimization algorithms based on quantum search is more optimisitic. Their compatability with classical optimization principles, such as neighborhood search, gives rise to promising further research directions. Advanced benchmarking techniques allow us to test these algorithms independently of quantum hardware developments.
Fault-tolerant quantum computers, when realized, guarantee significant speedups for particular computational tasks. Quantum hardware in the near term, however, is limited to low hundreds of noisy qubits that are not error-corrected. To leverage such devices as well as accommodate rapid developments in both hardware and algorithms, variational quantum algorithms (VQAs) were introduced. These algorithms have the potential to be useful in areas such as chemistry, optimization, machine learning, among others. Despite this potential, the largest experiment to date has employed just twelve qubits to implement the Variational Quantum Eigensolver (VQE), a VQA for simulating ground state energies of fermionic systems. In this dissertation, we present several methods for extending and further developing VQAs to step closer towards realizing applications in which quantum computers can provide meaningful advantages over classical computers. In the first part, we present methods for analyzing and optimizing parameterized quantum circuits (PQCs), a core component in VQAs for approximating target quantum states, e.g. ground state wavefunctions in VQE. To compare among PQCs and guide their design and selection, we introduce a set of algorithm-independent descriptors that can be estimated from simulations. Using these descriptors, we rule out circuits with limited capabilities in expressive and entangling powers. Next, we present a strategy for optimizing PQCs with large parameter counts and high redundancy by removing circuit operations that are less important for optimizing the algorithm objective, effectively reducing the search space. We demonstrate that this method enables larger VQE simulations by converging previously difficult optimizations while additionally reducing circuit resources. In the second part, we present methods for developing VQAs that are related to the quantum hardware. We introduce a new algorithm for simulating components of a quantum processor using an existing quantum computer. The goal of this application is to leverage near-term devices and algorithms to aid in the design of more powerful next-generation quantum hardware. Lastly, we present a guide for algorithm prototyping by deploying instances of VQAs on quantum computers via the cloud. We demonstrate instances of two algorithms, the quantum autoencoder and classifier, on an eight-qubit device. While further advancements in hardware and algorithms lie ahead, our work, along with developments from previous studies, represents significant progress towards realizing practical quantum advantage.
Many important physical and mathematical problems are difficult to solve on classical computers, resulting in difficulty in finding new advanced materials, simulating quantum field theories and solving large combinatorial optimisation tasks. Quantum computers have shown great promise in being able to solve these (and many other) problems faster than their classical counterparts, and therefore should be thoroughly investigated as a significant tool for enabling the acceleration of scientific progress. This work develops methods to tackle several problems across the spectrum of quantum algorithms, providing methods suitable for the near-term hardware, to the future where large fault-tolerant quantum computers exist. Therefore, the works in this thesis range from efficiently making use of limited quantum hardware to taking advantage of hardware benefits (e.g. excess qubits) as quantum computation advances. Covered topics include: an alternative paradigm for the optimisation of variational circuits and quantum neural networks; techniques for improving energy estimation of quantum states through the collection and processing of large amounts of randomised measurement data; the use of entanglement in guiding the automatic discovery of quantum circuits; investigating the role of symmetries in adiabatic state preparation of molecules and the large scale parallelisation of a common fault-tolerant subroutine, potentially producing large runtime speed-ups for the simulation of chemistry on quantum computers. Although there are many challenges remaining from both hardware and algorithms perspectives before the large-scale utility of quantum computers can be demonstrated, the contributions of this work make steps towards the efficient utilisation of quantum hardware that will be available in the coming years.
Practical realizations of quantum computers are poised to deliver outstanding computational capabilities far beyond the reach of any classical supercomputer. While classical systems are reliably implemented using CMOS technology, the fabrication of quantum hardware has not yet reached a commercially viable level of maturity. Nowadays, many different technologies are being developed as competing candidates to build the first error-corrected quantum computer. Among the software resources required to operate such a system, quantum compilers translate a high-level description of a quantum algorithm into low-level, technology-dependent quantum instructions. Many quantum algorithms, including Shor's and Grover's algorithms, require to compute some classical logic functions on the quantum computer. The first part of this thesis deals with the problem of compiling quantum circuits that perform such classical Boolean functions, called oracles, into a fault-tolerant set of instructions. Oracle circuits often demand many resources in terms of the number of qubits and gates. The focus is on compiling quantum circuits starting from multi-level logic networks representing large Boolean functions while minimizing the resource footprint of the obtained quantum circuits. At the same time, the trade-off between memory resources and the number of operations typical of such a compilation process is explored. As part of the effort in reducing the resources required to perform a given quantum program, I also present some quantum circuit optimization techniques. The researched algorithms leverage data structures and techniques borrowed and adapted from classical logic synthesis, e.g., SAT solvers, LUT mapping, and multi-level logic networks. I implemented all the compilation algorithms presented in this thesis as part of open-source projects. In particular, I develop and maintain caterpillar---a C++ header-only library dedicated to the quantum compilation of oracles and quantum memory management. The second part of this thesis describes how to equip quantum programming language compilers with automatic accuracy management. Despite the availability of many of such languages, resource estimation of quantum algorithms does not yet support taking approximation errors into account. This general methodology is applicable to any programming language and I demonstrate its integration into the Q# compiler. The technique consists of providing language support to ease the accuracy-aware programming task. The user can define accuracy parameters that will be automatically optimized according to a constraint and a cost function directly generated from the source code. In the presented practical evaluations, the constraint function is the overall allowed accuracy, while the cost function is application-dependent and related to the number of gates. During the optimization process, such functions are evaluated hundreds of times. For this reason, we extract them as (near-)symbolic expressions, whose evaluation time does not depend on the quantum algorithm size. The algorithms and the methodologies presented in this thesis are part of a widespread effort of the research community to build a complete and efficient software stack to program and control the first practical universal quantum computer.