Quantum State Preparation

Preparing quantum states from classical data can cost more than the computation they serve; most loaders tailor a circuit to each input. Here we show that the signals of a real dataset share structure that can be learned once and reused. Our quantum-native loader learns a low-dimensional description of a dataset and prepares every signal with one fixed circuit set by a few numbers. Across seven views of five public datasets it meets the targets of the strongest structured loader at equal gate cost with several times fewer numbers per signal. These numbers can be inferred from a random subset: in a preregistered blind replication the subset needed to come within ten per cent of full-signal accuracy stayed constant within a prespecified margin as signals grew sixteenfold, whereas the structured loader needed ever more. It declines what it cannot represent, covering fewer cases than that baseline and no electrocardiogram.

Physics simulators can support the discovery of quantum experiments by predicting the states generated by experimental configurations. When these simulators are computationally expensive, repeated simulator calls can limit the search for experiments that generate a desired quantum state. Here, we develop a physics-inspired polynomial neural surrogate for PyTheus, a graph-based quantum-optics simulator, to predict quantum states and use it to design quantum experiments. Its polynomial activations are motivated by the relation between graph perfect matchings and the resulting state amplitudes. We train separate surrogate models for four-, six-, and eight-photon systems and show that they achieve higher prediction accuracy with fewer trainable parameters than standard multilayer perceptrons. We then use the trained surrogates for inverse design of GHZ, W, and linear-cluster states. For the larger systems, the surrogates also enable faster inverse design than direct optimization with PyTheus. These results suggest that incorporating the underlying physics into neural surrogates can provide an efficient approach to quantum experiment design.

Quantum communication underpins secure information processing and scalable quantum networks. In particular, remote state preparation (RSP) enables efficient quantum state transfer, but accurately estimating target states under complex noise remains challenging. Here, we propose a Transformer-based Quantum State Characterizer (TQSC) model for noisy RSP experiments. Our model reconstructs experimentally prepared pure and mixed photonic polarization states from noisy measurements in complex scattering environments, while its attention patterns provide physically grounded insights into correlations among the measured observables. The method achieves a mean estimator-target fidelity exceeding 99.999% under complex scattering and dynamic Gaussian noise, while its robustness and generalization are further examined using Qiskit-simulated Bloch-ball states.Furthermore, in a practical MNIST image transmission task with held-out states, the decoded bit error rate is reduced from 50.34% to zero after TQSC post-processing. The TQSC model enables accurate tomographic characterization under dynamic noise and provides physically grounded post-hoc insights, holding promise for intelligent quantum information processing applications.

Reinforcement learning (RL) can automate quantum architecture search, but its scalability is limited when useful circuit trajectories become rare in the rapidly expanding search space. Existing replay mechanisms reuse observed transitions; the proposed learned model produces additional predicted one step transitions from real state-action seeds. Here we introduce GenQAS, a tensor network-guided RL framework that combines a fixed matrix product state warm-start with prioritized generative replay. A learned local transition model generates synthetic circuit transitions on demand and mixes them with real experience during Double Deep Q-Network updates. Under a random exploration analysis, near ground state circuits occupy a rapidly shrinking region of the accessible state space. We investigate whether real data anchored synthetic replay can improve the effective training signal in this regime. Across chemical Hamiltonian benchmarks from 6 to 12 qubits, GenQAS improves fixed-budget success probability and identifies compact circuits at competitive energy error. At 12 qubits, it improves final success probability by up to $7.0\times$ over passive replay. On a 15-qubit transverse field Ising model, GenQAS increases success probability from $12\%$ to $21\%$. In a noisy 6-qubit BeH$_2$ transfer experiment, generative replay reduces the steps to chemical accuracy by $92.7\%$. These results show that generative replay can mitigate sample starvation in quantum architecture search and support more resource efficient circuit discovery.

Quantum state preparation is a key component of many quantum algorithms. Performing this step efficiently is essential for realizing practical quantum advantage in quantum chemistry applications. Iterative algorithms like ADAPT-VQE can produce shallow ground-state preparation circuits, but become computationally prohibitive for the larger molecules relevant to materials science and pharmaceutical development. Here, we introduce ADAPT-GQE, a generative AI framework that learns to synthesize ground-state preparation circuits for electronic structure calculations. We first use ADAPT-VQE to generate high-quality reference circuits, which are then used as targets for training models for circuit generation. Once trained, the model can efficiently propose and score circuits, enabling reinforcement learning (RL) to drive circuit generation accuracy beyond the accuracy of the ADAPT-VQE training data. This pipeline achieves order-of-magnitude reductions in circuit generation time relative to ADAPT-VQE while maintaining comparable or improved state-preparation accuracy. We demonstrate ADAPT-GQE on imipramine, a well-established tricyclic antidepressant that serves as a representative, challenging target for computational modelling in drug stability protocols. We execute generated circuits on Quantinuum Helios-1, representing a milestone for AI-generated quantum chemistry circuits on state-of-the-art quantum hardware. These results establish a pathway toward automated quantum circuit synthesis for utility-scale quantum computational chemistry.

In this work, a quantum architecture search framework for approximate quantum state preparation (QSP) is proposed. QSP is a challenging task, since the search space grows exponentially with the number of qubits, making the identification of the optimal circuit non-trivial. To address this problem, deep reinforcement learning is employed through an agent based on proximal policy optimization. The objective of the agent is to identify the best possible approximation of the target state while simultaneously minimizing the number of gates used. At each step, the agent appends a new gate to the circuit and recomputes the fidelity between the approximated state and the target states. Various experiments have been performed from 2 to 5 qubits. Both predefined states, such as Bell, GHZ, W, and Dicke states, and completely random states are considered. The proposed framework is able to achieve approximation errors of $10^{-14}$.

Sampling from discrete Markov random fields (MRFs) is a hard problem. We study amplitude-encoded i.i.d. sampling for small MRFs where $2^n$ target probabilities are precomputed classically. This removes quantum exponential speedup but allows a clean comparison against classical MCMC based on independent circuit samples ($τ\approx 1$). Across 60 instances spanning five graph families (1k-step burn-in, 3k retained samples), the mean ESS ratios of Quantum to Single-Site Gibbs, Block Gibbs, Tuned-Block, and Parallel Tempering are $16.35$, $7.29$, $1.82$, and $1.79$, showing modern classical samplers substantially close this gap. Amortizing $O(2^n)$ preprocessing into wall-clock time, exact inverse-CDF sampling yields $17.7\text{M}$ ESS/s versus $488\text{K}$ ESS/s for the quantum sampler ($36\times$ mean rate, $153\times$ per-instance), confirming no wall-clock advantage. We characterize MCMC autocorrelation costs and benchmark amplitude-encoded state preparation at $n \in \{8,10,12\}$. An MPS scaling study ($n \le 40$) shows bond dimension $χ=32$ achieves $F=0.721\pm0.059$ at $n=40$. Finally, a matched-budget VQC vs. MPS comparison at $n \in \{8,10,12\}$ shows VQC fidelities fall far below MPS: $(F_{\mathrm{VQC}}, F_{\mathrm{MPS}}) = (0.31, 0.99), (0.21, 0.96), (0.17, 0.88)$ at compressions $10.7\times$, $34.1\times$, and $113.8\times$.

In quantum image processing, a fundamental step is encoding classical image data into quantum states. This can be achieved using methods such as Flexible Representation of Quantum Images (FRQI), Quantum Probability Image Encoding (QPIE), and Novel Enhanced Quantum Representation (NEQR). However, on real quantum hardware, these encodings can quickly lead to circuits with many gates, large circuit depth, and high qubit usage, which is a problem for Noisy Intermediate-Scale Quantum (NISQ) devices. In this work, we investigate whether low-rank state approximation, formulated via Schmidt decomposition, can help reduce this complexity. The method keeps only the most significant parts of a quantum state's entanglement structure, making state preparation more efficient while preserving most of the image information. We compare the three encoding techniques in their original form and with low-rank approximation, evaluating metrics such as circuit depth, CNOT count, MSE, and visual quality of reconstructed images. The results reveal meaningful trade-offs between accuracy and resource efficiency, with the FRQI model achieving a 97 percent reduction in circuit depth while maintaining a near-perfect reconstruction (MSE of about 0.27). This demonstrates the potential of low-rank techniques for advancing practical quantum image processing on near-term hardware.

Many applications in quantum simulation, quantum chemistry, and quantum machine learning require not a single quantum state but an ensemble of states characterizing the heterogeneity of a target system. Preparing such ensembles state-by-state is prohibitive in both variational and fault-tolerant settings, thereby motivating a generative modeling approach. We introduce latent-conditioned parameterized quantum circuits (LPQCs), a hybrid quantum-classical framework in which classical neural networks map a latent variable sampled from a prior distribution to the parameters of a parameterized quantum circuit. We prove that LPQCs are universal approximators for probability measures over density operators in the 1-Wasserstein distance, extending classical universal approximation theorems to the quantum-distribution setting. We additionally introduce a multimodal latent prior and a mixture-of-experts circuit architecture, and show empirically that the latent-conditioned parameterization alleviates the barren plateau problem during optimization, a behavior for which we provide rigorous partial guarantees. Numerical experiments validate the framework on a synthetic multi-cluster ensemble of mixed quantum states and on a QM9-derived ensemble of 3-D molecular structures. In these tasks, LPQC outperforms recent quantum generative baselines and matches the generation quality of a classical neural-network baseline, while requiring an output dimension that grows only linearly with the number of qubits rather than exponentially. By leveraging classical expressivity in the latent space, LPQCs offer a tractable route to quantum generative modeling.

Variational Quantum Algorithms (VQAs) potentially offer a pathway to practical quantum advantage, but their optimization is heavily hindered by barren plateaus and numerous local minima. While classically simulable Clifford circuits can warm-start VQAs to accelerate convergence, existing heuristic-based initialization methods struggle to scale within vast combinatorial search spaces. To overcome this bottleneck, we propose CRiSP (a Clifford Reinforcement Learning agent for State Preparation), a framework that formulates discrete prefix selection as a sequential decision-making problem. CRiSP utilizes Neural-Guided Monte Carlo Tree Search, driven by a Transformer-based policy trained via self-play, to insert learned Clifford gates before fixed parameterized rotations. This enables the construction of high-quality initial states entirely through polynomial-time classical stabilizer simulation without altering the underlying circuit architecture. By integrating a curriculum learning strategy that progressively expands the search horizon, the agent efficiently scales to deep circuits. Evaluated on QAOA benchmarks of up to $22$ qubits and $1{,}370$ parameters, CRiSP outperforms state-of-the-art Clifford initialization methods by a mean of $3.17\times$ (max $45.02\times$) in average energy accuracy and $2.44\times$ (max $16.01\times$) in best-achieved energy accuracy. Assessments on VQE tasks further demonstrate the framework's robustness and generalizability.

Quantum machine learning increasingly relies on pure-state representations, motivating generative models that sample directly in quantum representation space rather than perturbing classical inputs and re-encoding. We introduce Stochastic Schrödinger Diffusion Models (SSDMs), a score-based generative framework that defines diffusion, scores, and reverse-time sampling intrinsically on the complex projective manifold $\mathbb{CP}^{d-1}$ under the Fubini--Study metric. SSDMs combine a Riemannian Ornstein--Uhlenbeck forward diffusion with a stochastic Schrödinger realization, and learn reverse-time dynamics driven by the Riemannian score. Our central technical contribution is a local-time learning objective that exploits the local Euclidean OU limit of intrinsic manifold diffusions in Fubini-Study normal coordinates to obtain an analytic teacher score, bypassing the intractable transition densities that limit existing Riemannian score-based models. Across synthetic, physics-inspired (TFIM, XXZ), and quantum feature-state benchmarks up to $14$ qubits, SSDMs match target pure-state ensembles by orders of magnitude on MMD and observable statistics over both ambient Euclidean and matched Riemannian score-based baselines, and improve representation-level diagnostics for downstream quantum kernel methods.

Quantum machine learning (QML) provides a promising framework for leveraging quantum-mechanical effects in learning tasks. However, its vulnerability to adversarial perturbations remains a major challenge for practical deployment. In QML systems, small perturbations applied to classical inputs can propagate through the quantum encoding stage and distort the resulting quantum state, thereby degrading model performance. In this work, we propose a defense mechanism that replaces the conventional quantum encoding stage of a QML model with passive steering-based controlled state preparation, which guides the encoded state toward a controlled intermediate state. By tuning the steering strength and the number of steering iterations, the proposed method suppresses the influence of adversarial perturbations while maintaining high clean accuracy and improving adversarial accuracy. Experimental results demonstrate that the passive steering-based defense consistently improves adversarial accuracy across different QML models and datasets under gradient-based adversarial attacks, achieving adversarial accuracy improvements of up to 40.19%.

Loading high dimensional distributions is an important task for utilizing quantum computers on applications ranging from machine learning to finance. The high dimensionality leads to a curse of dimensionality, representing a d-dimensional distribution with k resolution requires dk qubits and an unstructured parameterized circuit would express a unitary in an exponential operator space in the number of qubits, leading to vanishing gradients and poor convergence guarantees even at high depth. Vine copula decompositions are widely used to represent high dimensional distributions classically, showing high quality approximation in many important applications, such as financial modeling. We present Qvine, a vine structured ansatz for quantum circuits, that mirrors the vine decomposition to construct scalable quantum circuits with efficient trainability while achieving similarly high quality approximation for amplitude encoding distributions. For regular vines (R-vines), we show that the circuit depth scales at most quadratic in the dimension of the distribution, while for D-vines, as well as many practical R-vines, the circuit depth scales linear in the dimension. For 3-dimensional and 4-dimensional Gaussians and empirical joint stock price return distributions for selected stocks, our experiments show Qvines achieve high quality loading.

The flow matching has rapidly become a dominant paradigm in classical generative modeling, offering an efficient way to interpolate between two complex distributions. We extend this idea to the quantum realm and introduce the Quantum Flow Matching (QFM), a quantum-circuit realization that offers efficient interpolation between two density matrices. QFM offers systematic preparation of density matrices and generation of samples for accurately estimating observables, and can be realized on quantum computers without the need for costly circuit redesigns. We validate its versatility on a set of applications: (i) generating target states with prescribed magnetization and entanglement entropy, (ii) estimating nonequilibrium free-energy differences to test the quantum Jarzynski equality, and (iii) expediting the study on superdiffusion. These results position QFM as a unifying and promising framework for generative modeling across quantum systems.

In this work, a novel algorithm structured on Lie algebras for the approximate quantum state preparation problem is proposed, addressing a challenge of fundamental importance in many areas of quantum computing. The algorithm uses a variational quantum circuit designed on the Standard Recursive Block Basis (SRBB), a hierarchical construction for the matrix algebra of the $SU(2^n)$ group, which is capable of linking the variational parameters with the topology of the Lie group. Compared to the full algebra, using only diagonal components reduces the number of CNOTs by an exponential factor, as well as the circuit depth, in full agreement with the relaxation principle inherent to the approximation methodology of minimizing resources while achieving high accuracy. The desired quantum state is then approximated by a novel quantum neural network, which is designed based on the diagonal SRBB sub-algebra. This approach provides a new scheme for approximate quantum state preparation in a variational framework and a specific use case for the SRBB hierarchy. The performance of the algorithm is assessed with different loss functions, such as fidelity, trace distance, and Frobenius norm, in relation to two optimizers: Adam and Nelder-Mead. The results highlight the potential of SRBB in close connection with the geometry of unitary groups, achieving high accuracy of up to 4 qubits in simulation, but also its current limitations with an increasing number of qubits. Additionally, the approximate SRBB-based QSP algorithm has been tested on real quantum devices to assess its performance with a small number of qubits.

Using partial knowledge of a quantum state to control multiqubit entanglement is a largely unexplored paradigm in the emerging field of quantum interactive dynamics with the potential to address outstanding challenges in quantum state preparation and compression, quantum control, and quantum complexity. We present a deep reinforcement learning (RL) approach using an actor-critic algorithm for constructing short disentangling circuits for states with up to 16 qubits. With access to only two-qubit reduced density matrices, our agent decides which pairs of qubits to apply two-qubit gates on; requiring only local information makes it directly applicable on modern NISQ devices, as we demonstrated experimentally on a trapped-ion quantum computer. Utilizing a permutation-equivariant transformer architecture, the agent can autonomously identify qubit permutations within the state, and adjusts the disentangling protocol accordingly. Once trained, it provides circuits from different initial states without further optimization. We demonstrate the agent's ability to identify and exploit the entanglement structure of multi-qubit states. We analyze the disentangling circuits constructed by the agent for 4- and 5-qubit Haar-random states, and observe strong correlations between consecutive gates and among the qubits involved. Through extensive benchmarking, we show the efficacy of the RL approach to find disentangling protocols with minimal gate resources. We explore the resilience of our trained agents to noise, highlighting their potential for real-world quantum computing applications. Analyzing optimal disentangling protocols, we report a general circuit to prepare an arbitrary 4-qubit state using at most 5 two-qubit (10 CNOT) gates.