Hybrid quantum-classical algorithms have been proposed as a potentially viable application of quantum computers. A particular example---the variational quantum eigensolver, or VQE---is designed to determine a global minimum in an energy landscape specified by a quantum Hamiltonian, which makes it appealing for the needs of quantum chemistry. Experimental realizations have been reported in recent years and theoretical estimates of its efficiency are a subject of intense effort. Here we consider the performance of the VQE technique for a Hubbard-like model describing a one-dimensional chain of fermions with competing nearest- and next-nearest-neighbor interactions. We find that recovering the VQE solution allows one to obtain the correlation function of the ground state consistent with the exact result. We also study the barren plateau phenomenon for the Hamiltonian in question and find that the severity of this effect depends on the encoding of fermions to qubits. Our results are consistent with the current knowledge about the barren plateaus in quantum optimization.
Hybrid quantum-classical algorithms have been proposed as a potentially viable application of quantum computers. A particular example---the variational quantum eigensolver, or VQE---is designed to determine a global minimum in an energy landscape specified by a quantum Hamiltonian, which makes it appealing for the needs of quantum chemistry. Experimental realizations have been reported in recent years and theoretical estimates of its efficiency are a subject of intense effort. Here we consider the performance of the VQE technique for a Hubbard-like model describing a one-dimensional chain of fermions with competing nearest- and next-nearest-neighbor interactions. We find that recovering the VQE solution allows one to obtain the correlation function of the ground state consistent with the exact result. We also study the barren plateau phenomenon for the Hamiltonian in question and find that the severity of this effect depends on the encoding of fermions to qubits. Our results are consistent with the current knowledge about the barren plateaus in quantum optimization.
Variational quantum algorithms (VQAs) are a modern family of quantum algorithms designed to solve optimization problems using a quantum computer. Typically VQAs rely on a feedback loop between the quantum device and a classical optimization algorithm. The appeal of VQAs lies in their versatility, resistance to noise, and ability to demonstrate some results even with circuits of small depth. We primarily focus on the algorithm called variational quantum eigensolver (VQE), which takes a qubit Hamiltonian and returns its approximate ground state. We first present our numerical findings regarding VQE applied to two spin models and a variant of the Hubbard model. Next, we briefly touch the topic of quantum machine learning by developing a quantum classifier to partition quantum data. We further study the phenomenon of vanishing derivatives in VQAs, also known as barren plateaus phenomenon. We derive a new lower bound on variance of the derivatives, which depends on the causal structure of the ansatz circuit and the individual terms entering the Pauli decomposition of the problem Hamiltonian. In the final chapter of the thesis, we present our results on bounding the fidelity of experimentally prepared Clifford states using their parent Hamiltonians.
Variational Quantum Eigensolver (VQE) algorithms suffer from barren plateaus, where gradients vanish with system size and circuit depth. Although many mitigation strategies exist, their connection to convergence performance under different iteration budgets remains unclear. Moreover, a systematic analysis identifying which state-of-the-art mitigation techniques perform best under specific scenarios is also lacking. We benchmark four approaches, Local-Global, Adiabatic, State Efficient Ansatz (SEA), and Pretrained VQE, against standard VQE on molecular systems from 4 to 14 qubits, analyzing gradient variance up to 50 layers and convergence over 1000 iterations. Our results show that the impact of gradient preservation is iteration-dependent. In the 14-qubit BeH2 system, Pretrained VQE outperforms SEA at 100 iterations despite lower gradient variance, but SEA becomes 2.2x more accurate at 1000 iterations. For smaller systems, SEA achieves near-exact energies (H2: 10^-5 Ha, LiH: 2x10^-4 Ha) with fidelities 0.999, while standard methods plateau early. The results demonstrate that robust barren plateau mitigation depends on aligning the chosen strategy with both system size and available computational budget, rather than treating gradient variance as the sole predictor of performance.
Variational quantum eigensolvers (VQE) are one of the possible tasks that can be performed in noisy intermediate-scale quantum (NISQ) computers. While one of the limitations of NISQ platforms is their restricted number of available qubits, the theory of compressable matchgate circuits can be used to circumvent this limitation for certain types of Hamiltonians. We show how VQE algorithms can be used to find the ground state of quadratic fermionic Hamiltonians, providing an expressible ansatz in a logarithmic number of qubits. In particular, for systems of n orbitals encoded to 2-local qubit models with nearest neighbour interactions, the ground state energy can be evaluated with O(logn) sets of measurements. This result is invariant of the dimensions in which the n sites are arranged.
Quantum computation holds the seminal key to overcoming inherent limitations of classical computing, potentially unlocking profound advancements across every scientific and industrial frontier. Currently and in the near future, variational quantum eigensolver (VQE) is one of the most promising algorithms in solving multi-body problems. Under the VQE framework, the classical optimizer plays a critical role in estimating expectation values. However, it is not well studied how different optimizers perform in a quantum circuit. The answer to this question helps make VQE applicable to larger systems. In this work, we scrutinize 12 optimizers on their convergence performances in VQE calculations by varying the number of qubits, depths of the quantum circuit, initial guesses, and number of measurements. It is found that gradient-based methods generally outperform the derivative-free methods. The optimizers involving stochastic processes usually fail to locate the minimum. The step length is far from trivial to reach the convergence. In addition, the Powell method is the most promising to alleviate the barren plateau problem.
Abstract Variational quantum eigensolvers (VQEs) represent a powerful class of hybrid quantum-classical algorithms for computing molecular energies. Various numerical issues exist for these methods, however, including barren plateaus and large numbers of local minima. In this work, we consider the Adaptive, Problem-Tailored Variational Quantum Eiegensolver (ADAPT-VQE) ansätze, and examine how they are impacted by these local minima. We find that while ADAPT-VQE does not remove local minima, the gradient-informed, one-operator-at-a-time circuit construction accomplishes two things: First, it provides an initialization strategy that can yield solutions with over an order of magnitude smaller error compared to random initialization, and which is applicable in situations where chemical intuition cannot help with initialization, i.e., when Hartree-Fock is a poor approximation to the ground state. Second, even if an ADAPT-VQE iteration converges to a local trap at one step, it can still “burrow” toward the exact solution by adding more operators, which preferentially deepens the occupied trap. This same mechanism helps highlight a surprising feature of ADAPT-VQE: It should not suffer optimization problems due to barren plateaus and random initialization. Even if such barren plateaus appear in the parameter landscape, our analysis suggests that ADAPT-VQE avoids such regions by design.
The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm for finding the minimum eigenvalue of a Hamiltonian that involves the optimization of a parameterized quantum circuit. Since the resulting optimization problem is in general nonconvex, the method can converge to suboptimal parameter values that do not yield the minimum eigenvalue. In this work, we address this shortcoming by adopting the concept of variational adiabatic quantum computing (VAQC) as a procedure to improve VQE. In VAQC, the ground state of a continuously parameterized Hamiltonian is approximated via a parameterized quantum circuit. We discuss some basic theory of VAQC to motivate the development of a hybrid quantum-classical homotopy continuation method. The proposed method has parallels with a predictor-corrector method for numerical integration of differential equations. While there are theoretical limitations to the procedure, we see in practice that VAQC can successfully find good initial circuit parameters to initialize VQE. We demonstrate this with two examples from quantum chemistry. Through these examples, we provide empirical evidence that VAQC, combined with other techniques (an adaptive termination criteria for the classical optimizer and a variance-based resampling method for the expectation evaluation), can provide more accurate solutions than “plain” VQE, for the same amount of effort.