The quantum approximate optimization algorithm (QAOA) is a hybrid quantum-classical variational algorithm that offers the potential to handle combinatorial optimization problems. Introducing constraints in such combinatorial optimization problems poses a significant challenge in the extensions of QAOA to support relevant larger-scale problems. This paper introduces a quantum machine learning approach to learn the mixer Hamiltonian required to hard constrain the search subspace. We show that this method can be used for encoding any general form of constraints. One can directly plug the learnt unitary into the QAOA framework using an adaptable ansatz. This procedure gives the flexibility to control the depth of the circuit at the cost of the accuracy of enforcing the constraint, thus having immediate application in the Noisy Intermediate Scale Quantum (NISQ) era. We also develop an intuitive metric that uses Wasserstein distance to assess the performance of general approximate optimization algorithms with/without constraints. Finally, using this metric, we evaluate the performance of the proposed algorithm.
The quantum approximate optimization algorithm (QAOA) is a hybrid quantum-classical variational algorithm that offers the potential to handle combinatorial optimization problems. Introducing constraints in such combinatorial optimization problems poses a significant challenge in the extensions of QAOA to support relevant larger-scale problems. This paper introduces a quantum machine learning approach to learn the mixer Hamiltonian required to hard constrain the search subspace. We show that this method can be used for encoding any general form of constraints. One can directly plug the learnt unitary into the QAOA framework using an adaptable ansatz. This procedure gives the flexibility to control the depth of the circuit at the cost of the accuracy of enforcing the constraint, thus having immediate application in the Noisy Intermediate Scale Quantum (NISQ) era. We also develop an intuitive metric that uses Wasserstein distance to assess the performance of general approximate optimization algorithms with/without constraints. Finally, using this metric, we evaluate the performance of the proposed algorithm.
The main object of study of this work is the Quantum Approximate Optimization Algorithm (QAOA) —the best-known heuristic quantum algorithm for addressing combinatorial optimization problems. Despite its popularity, QAOA poses major challenges. Namely, its performance remains poorly understood, especially in the low depth regime most relevant to near-term quantum computing. Besides, the algorithm is of variational nature, relying on several hyperparameters to be classically trained. In this work, we contribute to addressing these issues by developing techniques to understand the performance of QAOA at low depth, and deducing from these pretrained hyperparameters, thereby eliminating or considerably reducing the need for a classical optimization loop. We first consider applying QAOA to constraint satisfaction problems with the goal of maximizing the algorithm’s approximation ratio (fraction of satisfied constraints). As a particular example, we consider QAOA applied to MAXCUT on non-regular graphs, showing how analytic techniques provide good guess hyperparameters in this setting. Next, we analyze the performance of QAOA on a well-studied constraint satisfaction problem: random k-SAT. In this case, the performance is measured by the probability of finding an assignment satisfying all constraints (“success probability”). To estimate this quantity, we develop new techniques, mapping quantum expectation values of the QAOA circuits to classical spin models. We further show how these techniques can be generalized to a larger family of random constraint satisfaction problems. We conclude the work by two feasibility studies inspired by real-world use cases encountered in collaborations with industrial partners: peptide sampling, and solving flow problems. These problems are naturally phrased by encoding combinatorial variables in qudits, a relatively unexplored setting in the existing literature. We present partial analytic and numerical results for optimal QAOA hyperparameters and the scaling of its success probability in this framework, underlining potential specific difficulties when using QAOA with qudits.
Quantum Approximate Optimization Algorithm, further generalized as Quantum Alternating Operator Ansatz (QAOA), is a family of algorithms for combinatorial optimization problems. It is a leading candidate to run on emerging universal quantum computers to gain insight into quantum heuristics. In constrained optimization, penalties are often introduced so that the ground state of the cost Hamiltonian encodes the solution (a standard practice in quantum annealing). An alternative is to choose a mixing Hamiltonian such that the constraint corresponds to a constant of motion and the quantum evolution stays in the feasible subspace. Better performance of the algorithm is speculated due to a much smaller search space. We consider problems with a constant Hamming weight as the constraint. We also compare different methods of generating the generalized W-state, which serves as a natural initial state for the Hamming-weight constraint. Using graph-coloring as an example, we compare the performance of using XY model as a mixer that preserves the Hamming weight with the performance of adding a penalty term in the cost Hamiltonian.
The Quantum Approximate Optimization Algorithm (QAOA) has emerged as a promising approach for solving NP hard combinatorial optimization problems on noisy intermediate-scale quantum (NISQ) hardware. However, its performance is critically dependent on the selection of the circuit depth a parameter that must be specified a priori without clear guidance. In this paper, we introduce a variant of QAOA called dynamic depth Quantum Approximate Optimization Algorithm (DDQAOA) that resolves the challenge of pre selecting a fixed circuit depth. Our method adaptively expands circuit depth, starting from p = 1 and progressing up to p = 10, by transferring learned parameters to deeper circuits based on convergence criteria. We tested this approach on 100 instances of the Constrained Shortest Path Problem (CSPP) at 10 qubit and 16 qubit scales. Our DDQAOA achieved superior approximation ratios and success probabilities with fewer CNOT gate evaluations than the standard QAOA for p = 3, 5, 10, and 15. In particular, while standard QAOA at p = 15 achieved results close to our approach, it used 217% and 159.3% more CNOT gates for 10 qubit and 16 qubit instances, respectively. This demonstrates the performance and practical applicability of DDQAOA to solve combinatorial optimization problems on near term devices.
The Quantum Approximate Optimization Algorithm (QAOA) is expected to offer advantages over classical approaches when solving combinatorial optimization problems in the Noisy Intermediate-Scale Quantum (NISQ) era. In its standard formulation, however, QAOA is not suited for constrained problems. One way to incorporate certain types of constraints is to restrict the mixing operator to the feasible subspace; however, this substantially increases circuit size, thereby reducing noise robustness. In this work, we refine an existing hypercube mixer method for enforcing hard constraints in QAOA. We present a modification that generates circuits with fewer gates for a broad class of constrained problems defined by linear functions. Furthermore, we calculate an analytical upper bound on the number of binary variables for which this reduction might not apply. Additionally, we present numerical experimental results demonstrating that the proposed approach improves robustness to noise. In summary, the method proposed in this paper allows for more accurate QAOA performance in noisy settings, bringing us closer to practical, real-world NISQ-era applications.
Quantum computers are expected to accelerate solving combinatorial optimization problems, including algorithms such as Grover adaptive search and quantum approximate optimization algorithm (QAOA). However, many combinatorial optimization problems involve constraints which, when imposed as soft constraints in the cost function, can negatively impact the performance of the optimization algorithm. In this paper, we propose fermionic quantum approximate optimization algorithm (FQAOA) for solving combinatorial optimization problems with constraints. Specifically, FQAOA tackles the constrains issue by using fermion particle number preservation to intrinsically impose them throughout QAOA. We provide a systematic guideline for designing the driver Hamiltonian for a given problem Hamiltonian with constraints. The initial state can be chosen to be a superposition of states satisfying the constraint and the ground state of the driver Hamiltonian. This property is important since FQAOA reduced to quantum adiabatic computation in the large limit of circuit depth p and improved performance, even for shallow circuits with optimizing the parameters starting from the fixed-angle determined by Trotterized quantum adiabatic evolution. We perform an extensive numerical simulation and demonstrate that proposed FQAOA provides substantial performance advantages against existing approaches in portfolio optimization problems. Furthermore, the Hamiltonian design guideline is useful not only for QAOA but also Grover adaptive search and quantum phase estimation to solve combinatorial optimization problems with constraints. Since software tools for fermionic systems have been developed in quantum computational chemistry both for noisy intermediate-scale quantum computers and fault-tolerant quantum computers, FQAOA allows us to apply these tools for constrained combinatorial optimization problems.
Combinatorial Optimization problems play an important role in various domains such as logis- tics, life science or the financial sector. As their complexity in general grows exponentially with their problem size, finding the optimal solution classically becomes infeasible very fast. This raises the central question of whether quantum computers are in principle suitable for solving combinatorial optimization problems better and faster than classical computers. In order to find answers to that question, one needs to study quantum algorithms designed for those problems under ideal conditions (i.e., simulations, which are however limited due to exponential scaling) to investigate their potential, but one also needs real quantum hardware to test its viability and evaluate whether practical advantages are reasonable. In this regard, we consider variational quantum algorithms, especially the Quantum Approximate Optimization Algorithm (QAOA) consisting of a problem and a mixer Hamiltonian with freely selectable parameters, originally proposed as variational hybrid ansatz with classical optimization. This algorithm structure of- fers flexible and relatively shallow circuits, which makes it suitable for current NISQ hardware. However, optimizing the variational circuit parameters can be an NP-hard problem at worst. In this thesis, we study different versions of QAOA, especially with a focus on limitations, perfor- mance and potential advantages opposite classical methods. The first part of the thesis concerns the investigation of various aspects regarding the imple- mentation of the variational QAOA protocol such as: the incorporation of a problem constraint either by adding a suitable penalty term of by choosing a suitable mixer (that restricts the search space), the scaling of the problem Hamiltonian in comparison to the mixer Hamiltonian, the choice of the initial values for the classical optimization of the circuit parameters, and finally the choice of the function to be minimized (i.e., CVaR vs. expectation value). We apply this proto- col to both the portfolio optimization and the feature selection and evaluate the performance. In order to improve QAOA, we consider the warm-start QAOA for different problem instances and analyze its improved performance with regard to involved quantum effects. For this purpose, we propose a classical pre-processing method and demonstrate that the warm-start results can be reproduced or even exceeded by this method. The second part addresses the issue that the standard variational form requires a high number of circuit parameters that have to be optimized at a sufficiently large depth, which is a major limitationforachievingpotentialscalingadvantagescomparedtoclassicalmethods. Toovercome this limitation, we investigate and further develop fixed schedules for QAOA, which only rely on two free parameters. We start with introducing the continuous adiabatic theorem as it motivates the form of QAOA and show its limitations, which we address by applying a discrete version of the theorem. With our findings, a new version of QAOA based on linear-ramps (LR-QAOA) is introduced and further developed. In order to derive suitable parameter values for this schedule, we propose a method based on extrapolation from smaller towards larger problem sizes. With our results obtained on a noiseless emulator, we evaluate the quantum runtime scaling and discuss whether a scaling advantage can be achieved compared to classical methods.