Abstract:High-performance computing (HPC) is increasingly important for scalable quantum chemistry workflows that couple classical generative models, quantum circuit simulation, and selected configuration interaction postprocessing. We present the generative quantum-inspired Kolmogorov-Arnold eigensolver (GQKAE), a parameter-efficient extension of the generative quantum eigensolver (GQE) for quantum chemistry. GQKAE replaces the parameter-heavy feed-forward network components in GPT-style generative eigensolvers with hybrid quantum-inspired Kolmogorov-Arnold network modules, forming a compact HQKANsformer backbone. The method preserves autoregressive operator selection and the quantum-selected configuration interaction evaluation pipeline, while using single-qubit DatA Re-Uploading ActivatioN modules to provide expressive nonlinear mappings. Numerical benchmarks on H4, N2, LiH, C2H6, H2O, and the H2O dimer show that GQKAE achieves chemical accuracy comparable to the GPT-based GQE architecture, while reducing trainable parameters and memory by approximately 66% and improving wall-time performance. For strongly correlated systems such as N2 and LiH, GQKAE also improves convergence behavior and final energy errors. These results indicate that quantum-inspired Kolmogorov-Arnold networks can reduce classical-side overhead while preserving circuit-generation quality, offering a scalable route for HPC-quantum co-design on near-term quantum platforms.




Abstract:The integration of quantum computing into classical machine learning architectures has emerged as a promising approach to enhance model efficiency and computational capacity. In this work, we introduce the Quantum Kernel-Based Long Short-Term Memory (QK-LSTM) network, which utilizes quantum kernel functions within the classical LSTM framework to capture complex, non-linear patterns in sequential data. By embedding input data into a high-dimensional quantum feature space, the QK-LSTM model reduces the reliance on large parameter sets, achieving effective compression while maintaining accuracy in sequence modeling tasks. This quantum-enhanced architecture demonstrates efficient convergence, robust loss minimization, and model compactness, making it suitable for deployment in edge computing environments and resource-limited quantum devices (especially in the NISQ era). Benchmark comparisons reveal that QK-LSTM achieves performance on par with classical LSTM models, yet with fewer parameters, underscoring its potential to advance quantum machine learning applications in natural language processing and other domains requiring efficient temporal data processing.