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arXiv:2611.16080 · v1

TGen-SQD: Physics-Informed Transferable Configuration Generator for Sample-Based Quantum Diagonalization

首次提交 2026-11-12 06:45
版本更新 2026-11-12 06:45
雷达观测 2026-11-13 14:16
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摘要

Sample-based quantum diagonalization (SQD) avoids iterative variational circuit optimization, but its accuracy and cost depend on selecting a compact determinant subspace that captures the ground state. Existing machine-learning selectors use task-specific physical cues and typically retrain for each Hamiltonian. We introduce TGen-SQD, a physics-informed generator jointly trained across multiple Hamiltonians. It learns from configuration-interaction-weighted data and uses orbital- and system-level descriptors to guide generation. After training, its weights remain frozen for inference on seen and zero-shot geometries. On a 20-qubit H10 chain, TGen-SQD achieves mean energy errors of 40.18 +/- 1.52 and 43.97 +/- 1.20 mHa on seen and unseen geometries, respectively, 12.7% and 11.7% lower than the state-of-the-art PIGen-SQD baseline under matched shot and proposal budgets.

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v1 · 2026-11-12 06:45 · 最新观测版本

TGen-SQD: Physics-Informed Transferable Configuration Generator for Sample-Based Quantum Diagonalization

Sample-based quantum diagonalization (SQD) avoids iterative variational circuit optimization, but its accuracy and cost depend on selecting a compact determinant subspace that captures the ground state. Existing machine-learning selectors use task-specific physical cues and typically retrain for each Hamiltonian. We introduce TGen-SQD, a physics-informed generator jointly trained across multiple Hamiltonians. It learns from configuration-interaction-weighted data and uses orbital- and system-level descriptors to guide generation. After training, its weights remain frozen for inference on seen and zero-shot geometries. On a 20-qubit H10 chain, TGen-SQD achieves mean energy errors of 40.18 +/- 1.52 and 43.97 +/- 1.20 mHa on seen and unseen geometries, respectively, 12.7% and 11.7% lower than the state-of-the-art PIGen-SQD baseline under matched shot and proposal budgets.

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