Variational Quantum Algorithms (VQAs) are widely used in the noisy intermediate-scale quantum (NISQ) era, but their trainability and performance depend critically on initialization parameters that shape the optimization landscape. Existing machine learning–based initializers achieve state-of-the-art results yet remain constrained to single-task domains and datasets of only hundreds of samples. We address these limitations by reformulating VQA parameter initialization as a generative modeling problem and introducing DiffQ, a parameter initializer based on the Denoising Diffusion Probabilistic Model (DDPM). To support robust training and evaluation, we construct a dataset of 15,085 instances spanning three domains and five representative tasks. Experiments demonstrate that DiffQ surpasses baselines, reducing initial loss by up to 8.95 and convergence steps by up to 23.4%. The code and data used in this paper are available at https://github.com/chizhang24/DiffQ.
Variational Quantum Algorithms (VQAs) are widely used in the noisy intermediate-scale quantum (NISQ) era, but their trainability and performance depend critically on initialization parameters that shape the optimization landscape. Existing machine learning–based initializers achieve state-of-the-art results yet remain constrained to single-task domains and datasets of only hundreds of samples. We address these limitations by reformulating VQA parameter initialization as a generative modeling problem and introducing DiffQ, a parameter initializer based on the Denoising Diffusion Probabilistic Model (DDPM). To support robust training and evaluation, we construct a dataset of 15,085 instances spanning three domains and five representative tasks. Experiments demonstrate that DiffQ surpasses baselines, reducing initial loss by up to 8.95 and convergence steps by up to 23.4%. The code and data used in this paper are available at https://github.com/chizhang24/DiffQ.
Variational Quantum Eigensolvers (VQEs) are a leading class of noisy intermediate-scale quantum (NISQ) algorithms, whose performance is highly sensitive to parameter initialization. Although recent machine learning–based initialization methods have achieved state-of-the-art performance, their progress has been limited by the lack of comprehensive datasets. Existing resources are typically restricted to a single domain, contain only a few hundred instances, and lack complete coverage of Hamiltonians, ansatz circuits, and optimization trajectories. To overcome these limitations, we introduce VQEzy, the first large-scale dataset for VQE parameter initialization. VQEzy spans three major domains and seven representative tasks, comprising 12,110 instances with full VQE specifications and complete optimization trajectories. The dataset is available at https://github.com/chizhang24/VQEzy, and will be continuously refined and expanded to support future research in VQE optimization.
The Quantum Approximate Optimization Algorithm (QAOA) is a hybrid quantum-classical algorithm that shows promise in efficiently solving the MaxCut problem, a representative example of combinatorial optimization. However, its effectiveness heavily depends on the parameter optimization pipeline, where the parameter initialization strategy is nontrivial due to the non-convex and complex optimization landscapes characterized by issues with low-quality local minima. Recent inspiration comes from the diffusion of classical neural network parameters, which has demonstrated that neural network training can benefit from generating good initial parameters through diffusion models. Therefore, in this work, we formulate the problem of finding good initial parameters as a generative task and propose the initial parameter generation scheme through dataset-conditioned pre-trained parameter sampling. Concretely, the generative machine learning model, specifically the denoising diffusion probabilistic model (DDPM), is trained to learn the distribution of pretrained parameters conditioned on the graph dataset. Intuitively, our proposed framework aims at effectively distilling knowledge from pre-trained parameters to generate well-performing initial parameters for QAOA. Compared to random parameter initialization, experiments on various-sized Max-Cut problem instances consistently show that our conditional DDPM is capable of improving the approximation ratio by as much as 14.4%, 11.0%, 11.4% and 7.49%, 8.31%, 6.08% on average for random, regular, and Watts-Strogatz graphs, respectively. Additionally, the experimental results also indicate that the conditional DDPM trained on small problem instances can be extrapolated to larger ones, improving the approximation ratio by up to 28.4% and 12.1% on average.
The Quantum Approximate Optimization Algorithm (QAOA) is a hybrid quantum-classical algorithm that shows promise in efficiently solving the Max-Cut problem, a representative example of combinatorial optimization. However, its effectiveness heavily depends on the parameter optimization pipeline, where the parameter initialization strategy is nontrivial due to the non-convex and complex optimization landscapes characterized by issues with low-quality local minima. Recent inspiration comes from the diffusion of classical neural network parameters, which has demonstrated that neural network training can benefit from generating good initial parameters through diffusion models. However, whether the diffusion model can enhance the parameter optimization and performance of QAOA by generating well-performing initial parameters is still an open topic. Therefore, in this work, we formulate the problem of finding good initial parameters as a generative task and propose the initial parameter generation scheme through dataset-conditioned pre-trained parameter sampling. Concretely, the generative machine learning model, specifically the denoising diffusion probabilistic model (DDPM), is trained to learn the distribution of pre-trained parameters conditioned on the graph dataset. Intuitively, the proposed framework aims to effectively distill knowledge from pre-trained parameters to generate well-performing initial parameters for QAOA. To benchmark our framework, we adopt trotterized quantum annealing (TQA)-based and graph neural network (GNN) prediction-based initialization protocols as baselines. Through numerical experiments on Max-Cut problem instances of various sizes, we show that conditional DDPM can consistently generate high-quality initial parameters, improve convergence to the approximation ratio, and exhibit greater robustness against local minima over baselines. Additionally, the experimental results also indicate that the conditional DDPM trained on small problem instances can be extrapolated to larger ones, thus demonstrating the extrapolation capacity of our framework in terms of the qubit number.
Deep generative models are key-enabling technology to computer vision, text generation, and large language models. Denoising diffusion probabilistic models (DDPMs) have recently gained much attention due to their ability to generate diverse and high-quality samples in many computer vision tasks, as well as to incorporate flexible model architectures and a relatively simple training scheme. Quantum generative models, empowered by entanglement and superposition, have brought new insight to learning classical and quantum data. Inspired by the classical counterpart, we propose the quantum denoising diffusion probabilistic model (QuDDPM) to enable efficiently trainable generative learning of quantum data. QuDDPM adopts sufficient layers of circuits to guarantee expressivity, while it introduces multiple intermediate training tasks as interpolation between the target distribution and noise to avoid barren plateau and guarantee efficient training. We provide bounds on the learning error and demonstrate QuDDPM's capability in learning correlated quantum noise model, quantum many-body phases, and topological structure of quantum data. The results provide a paradigm for versatile and efficient quantum generative learning.
Variational Quantum Eigensolvers (VQEs) are a leading class of noisy intermediate-scale quantum (NISQ) algorithms with broad applications in quantum physics and quantum chemistry. However, as system size increases, VQE optimization is increasingly hindered by the barren plateau phenomenon, where gradients vanish and the loss function becomes trapped in local minima. While machine learning-based parameter initialization methods have been proposed to address this challenge, they often show limited effectiveness in complex VQE problems. This is primarily due to their inadequate ability to model the intricate correlations embedded in the Hamiltonian structure and the associated ansatz circuits. In this paper, we propose Qracle, a graph neural network (GNN)-based parameter initializer for VQEs. Qracle systematically encodes both the Hamiltonian and the associated ansatz circuit into a unified graph representation and leverages a GNN to learn a mapping from VQE problem graphs to optimized ansatz parameters. Compared to state-of-the-art initialization techniques, Qracle achieves a reduction in initial loss of up to 10.86, accelerates convergence by decreasing optimization steps by up to 64.42%, and improves final performance with up to a 26.43% reduction in Symmetric Mean Absolute Percentage Error (SMAPE), with all results averaged over the validation set of each respective application. The source code is publicly available at https://github.com/chizhang24/Qracle.
In the Noisy Intermediate-Scale Quantum (NISQ) era, using variational quantum algorithms (VQAs) to solve optimization problems has become a key application. However, these algorithms face significant challenges, such as choosing an effective initial set of parameters and the limited quantum processing time that restricts the number of optimization iterations. In this study, we introduce a new framework for optimizing parameterized quantum circuits (PQCs) that employs a classical optimizer, inspired by Model-Agnostic Meta-Learning (MAML) technique. This approach aim to achieve better parameter initialization that ensures fast convergence. Our framework features a classical neural network, called Learner, which interacts with a PQC using the output of Learner as an initial parameter. During the pre-training phase, Learner is trained with the meta objective function. In the adaptation phase, the framework requires only a few PQC updates to converge to a more accurate value, while the learner remains unchanged. This method is highly adaptable and is effectively extended to various Hamiltonian optimization problems. We validate our approach through experiments, including distribution function mapping and optimization of the Heisenberg XYZ Hamiltonian. The result implies that the Learner successfully estimates initial parameters that generalize across the problem space, enabling fast adaptation.