Variational Quantum Algorithms (VQAs) are promising candidates for finding practical applications of near to mid-term quantum computers. There has been an increasing effort to study the intricacies of VQAs, such as the presence or absence of barren plateaus and the design of good quantum circuit ansätze. Many of these studies can be linked to the loss landscape that is optimized as part of the algorithm, and there is high demand for quality software tools for flexibly studying these loss landscapes. In our work, we collect a variety of techniques that have been used to visualize the training of deep artificial neural networks and apply them to visualize the high-dimensional loss landscapes of VQAs. We review and apply the techniques to three types of VQAs: the Quantum Approximate Optimization Algorithm, the Quantum Circuit Born Machine, and the Variational Quantum Eigensolver. Additionally, we investigate the impact of noise due to finite sampling in the estimation of loss functions. For each case, we demonstrate how our visualization techniques can verify observations from past studies and provide new insights. This work is accompanied by the release of the open-source Python package $\textit{orqviz}$, which provides code to compute and flexibly plot 1D and 2D scans, Principal Component Analysis scans, Hessians, and the Nudged Elastic Band algorithm. $\textit{orqviz}$ enables flexible visual analysis of high-dimensional VQA landscapes and can be found at: $\textbf{github.com/zapatacomputing/orqviz}$.
Variational Quantum Algorithms (VQAs) are promising candidates for finding practical applications of near to mid-term quantum computers. There has been an increasing effort to study the intricacies of VQAs, such as the presence or absence of barren plateaus and the design of good quantum circuit ansätze. Many of these studies can be linked to the loss landscape that is optimized as part of the algorithm, and there is high demand for quality software tools for flexibly studying these loss landscapes. In our work, we collect a variety of techniques that have been used to visualize the training of deep artificial neural networks and apply them to visualize the high-dimensional loss landscapes of VQAs. We review and apply the techniques to three types of VQAs: the Quantum Approximate Optimization Algorithm, the Quantum Circuit Born Machine, and the Variational Quantum Eigensolver. Additionally, we investigate the impact of noise due to finite sampling in the estimation of loss functions. For each case, we demonstrate how our visualization techniques can verify observations from past studies and provide new insights. This work is accompanied by the release of the open-source Python package orqviz, which provides code to compute and flexibly plot 1D and 2D scans, Principal Component Analysis scans, Hessians, and the Nudged Elastic Band algorithm. orqviz enables flexible visual analysis of high-dimensional VQA landscapes and can be found at: github.com/zapatacomputing/orqviz.
In quantum computing, the variational quantum algorithms (VQAs) are well suited for finding optimal combinations of things in specific applications ranging from chemistry all the way to finance. The training of VQAs with gradient descent optimization algorithm has shown a good convergence. At an early stage, the simulation of variational quantum circuits on noisy intermediate-scale quantum (NISQ) devices suffers from noisy outputs. Just like classical deep learning, it also suffers from vanishing gradient problems. It is a realistic goal to study the topology of loss landscape, to visualize the curvature information and trainability of these circuits in the existence of vanishing gradients. In this paper, we calculate the Hessian and visualize the loss landscape of variational quantum classifiers at different points in parameter space. The curvature information of variational quantum classifiers (VQC) is interpreted and the loss function's convergence is shown. It helps us better understand the behavior of variational quantum circuits to tackle optimization problems efficiently. We investigated the variational quantum classifiers via Hessian on quantum computers, starting with a simple 4-bit parity problem to gain insight into the practical behavior of Hessian, then thoroughly analyzed the behavior of Hessian's eigenvalues on training the variational quantum classifier for the Diabetes dataset. Finally, we show how the adaptive Hessian learning rate can influence the convergence while training the variational circuits.
Variational quantum algorithms (VQAs) are a leading approach to near-term quantum computation, but their utility is limited by barren plateaus and other pathologies in their loss landscapes. Existing landscape theories based on dynamical Lie algebras, Jordan-algebraic Wishart systems, approximate t-designs, and Haar-random circuits are foundational, but they often neglect the finite-depth geometry of realistic ansätze and are therefore ill-suited to the shallow-depth regime, where VQAs are poor approximators of 2-designs and trainability is most feasible. This work introduces Krylov algebras, algebraic structures induced by the Krylov span of a finite generator set acting on one or more seed vectors, as a framework for VQA landscape theory. We show that VQA reachable manifolds can be approximated in a numerically robust, geometrically faithful fashion by Krylov-Lie algebras and groups, and that these structures induce canonical invariant measures for computing expectation values and variances under general sampling measures. In particular, we derive weighted non-Haar variance formulas that recover the usual Lie-algebraic Haar formulas as a special case while isolating non-Haar effects into explicit correction terms. We also show that the common heuristic that sufficiently deep circuit ensembles must converge to Haar fails in general without additional hypotheses, identify concrete obstructions to naive Haar convergence, and recover convergence under natural necessary and sufficient ergodic conditions. Lastly, our formulas further imply that non-Haar contributions to landscape statistics may mitigate barren plateaus by reweighting the visible sectors of the loss landscape, suggesting that VQAs may be more trainable than recent literature has posited.
Variational Quantum Algorithms are a major method of harnessing Noisy Intermediate-Scale Quantum devices to solve classically intractable problems in physics, chemistry, optimization, and machine learning. The current review offers a critical overview of VQAs, with special emphasis on their theoretical backgrounds, algorithmic structures, and application performance within realistic models of noise. Several key variants, such as the Variational Quantum Eigensolver, Quantum Approximate Optimization Algorithm, and Quantum Neural Networks, are compared in terms of noise robustness, ansatz archi- tecture, and hybrid quantum-classical methods of optimization. Benchmarks in fields such as quantum chemistry, finance modeling, and particles and nuclei physics reveal the poten- tial of VQAs in achieving practical quantum advantage. Fundamentally limiting factors 1such as barren plateaus, optimization overhead, and hardware constraints are considered in addition to mitigation strategies, including adaptive construction of ansatz, informed training in the presence of noise, and quantum error correction using QVECTOR. The paper is concluded with an overview of the scalability and future of VQAs in the direction of transitioning toward fault-tolerant quantum computing.
Abstract Combining classical optimization with parameterized quantum circuit evaluation, variational quantum algorithms (VQAs) are among the most promising algorithms in near-term quantum computing. However, the training of variational quantum circuits (VQCs) is susceptible to a phenomenon known as barren plateaus (BPs). Various approaches have been proposed to mitigate this issue, such as using neural networks to generate VQC parameters. In this paper, we improve the NN-based BP mitigation approach by refining the neural network architecture and extend its applicability to a more generalized scenario that includes random quantum inputs and VQC structures. We evaluate the effectiveness of the approach by comparing the convergence speed before and after it is utilized. Furthermore, we give an explanation for the effectiveness of the NN-based BP mitigation approach by utilizing a loss landscape visualization technique and the expressibility metric of VQC. The smoothness of the loss landscape offers an intuitive insight into the approach’s utility, while the reduction in expressibility accounts for the enhanced trainability. Our research highlights the universal applicability of the NN-based BP mitigation approach, underscoring its potential to drive progress in the development of VQAs across diverse domains.
In recent years, Variational Quantum Algorithms (VQAs) have emerged as a promising approach for solving optimization problems on quantum computers in the NISQ era. However, one limitation of VQAs is their reliance on fixed-structure circuits, which may not be taylored for specific problems or hardware configurations. A leading strategy to address this issue are Adaptative VQAs, which dynamically modify the circuit structure by adding and removing gates, and optimize their parameters during the training. Several Adaptative VQAs, based on heuristics such as circuit shallowness, entanglement capability and hardware compatibility, have already been proposed in the literature, but there is still lack of a systematic comparison between the different methods. In this paper, we aim to fill this gap by analyzing three Adaptative VQAs: Evolutionary Variational Quantum Eigensolver (EVQE), Variable Ansatz (VAns), already proposed in the literature, and Random Adapt-VQE (RA-VQE), a random approach we introduce as a baseline. In order to compare these algorithms to traditional VQAs, we also include the Quantum Approximate Optimization Algorithm (QAOA) in our analysis. We apply these algorithms to QUBO problems and study their performance by examining the quality of the solutions found and the computational times required. Additionally, we investigate how the choice of the hyperparameters can impact the overall performance of the algorithms, highlighting the importance of selecting an appropriate methodology for hyperparameter tuning. Our analysis sets benchmarks for Adaptative VQAs designed for near-term quantum devices and provides valuable insights to guide future research in this area.
Variational quantum algorithms (VQAs) are a broad class of algorithms with many applications in science and industry. Applying a VQA to a problem involves optimizing a parameterized quantum circuit by maximizing or minimizing a cost function. A particular challenge associated with VQAs is understanding the properties of associated cost functions. Having the landscapes of VQA cost functions can greatly assist in developing and testing new variational quantum algorithms, but they are extremely expensive to compute. Reconstructing the landscape of a VQA using existing techniques requires a large number of cost function evaluations, especially when the dimension or the resolution of the landscape is high. To address this challenge, we propose a low-rank tensor-completion-based approach for local landscape reconstruction. By leveraging compact low-rank representations of tensors, our technique can overcome the curse of dimensionality and handle high-resolution landscapes. We demonstrate the power of landscapes in VQA development by showcasing practical applications of analyzing penalty terms for constrained optimization problems and examining the probability landscapes of certain basis states.