Generative Quantum-inspired Kolmogorov-Arnold Eigensolver

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.

Fast Weight Programmers (FWPs) encode temporal dependencies through dynamically updated parameters rather than recurrent hidden states. Quantum FWPs (QFWPs) extend this idea with variational quantum circuits (VQCs), but existing implementations rely on multi-qubit architectures that are difficult to scale on noisy intermediate-scale quantum (NISQ) devices and expensive to simulate classically. We propose gated QKAN-FWP, a fast-weight framework that integrates FWP with Quantum-inspired Kolmogorov-Arnold Network (QKAN) using single-qubit data re-uploading circuits as learnable nonlinear activation, known as DatA Re-Uploading ActivatioN (DARUAN). We further introduce a scalar-gated fast-weight update rule that stabilizes parameter evolution, supported by a theoretical analysis of its adaptive memory kernel, geometric boundedness, and parallelizable gradient paths. We evaluate the framework across time-series benchmarks, MiniGrid reinforcement learning, and highlight real-world solar cycle forecasting as our main practical result. In the long-horizon setting with 528-month input window and 132-month forecast horizon, our 12.5k-parameter model achieves lower scaled Mean Square Error (MSE), peak amplitude error, and peak timing error than a suite of classical recurrent baselines with up to 13x more parameters, including Long Short-Term Memory (LSTM) networks (25.9k-89.1k parameters), WaveNet-LSTM (167k), Vanilla recurrent neural network (11.5k), and a Modified Echo State Network (132k). To validate NISQ compatibility, we further deploy the trained fast programmer on IonQ and IBM Quantum processors, recovering forecasting accuracy within 0.1% relative MSE of the noiseless simulator at 1024 shots. These results position gated QKAN-FWP as a scalable, parameter-efficient, and NISQ-compatible approach to quantum-inspired sequence modeling.

Variational quantum circuits (VQCs) are central to quantum machine learning, while recent progress in Kolmogorov-Arnold networks (KANs) highlights the power of learnable activation functions. We unify these directions by introducing the quantum variational activation function (QVAF), a general framework in which parameterized quantum circuits serve as learnable activation functions; in this work we study an efficient single-qubit instantiation called DatA Re-Uploading ActivatioN (DARUAN). We show that DARUAN with trainable data-preprocessing weights can realize an exponentially growing accessible frequency support with the number of re-uploading repetitions; for an explicit geometric choice of these weights, this gives a capacity-level exponential parameter reduction relative to independently parameterized Fourier activations. Embedding DARUAN into KAN yields the quantum-inspired Kolmogorov-Arnold Network (QKAN), which retains the interpretability of the KAN architecture while improving parameter efficiency, expressivity, and generalization. We further introduce layer extension and the hybrid QKAN (HQKAN) architecture to improve scalability and computational efficiency, enabling QKAN modules to act as compact replacements for multi-layer perceptrons (MLPs) in large-scale models. We provide theoretical analysis and extensive experiments on function regression, image classification, and autoregressive generative language modeling, demonstrating the efficiency and scalability of QKANs. Because the single-qubit circuits are efficiently simulable on classical quantum simulators, QKANs have quantum-inspired advantage in parameter efficiency and training stability; DARUANs and QKANs serve as present-day validation of the QVAF concept, and the trained DARUANs are directly executable and feasible on current noisy intermediate-scale quantum (NISQ) hardware for inference validation.