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| Natura: | Preprint |
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2026
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| Accesso online: | https://arxiv.org/abs/2604.18357 |
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| _version_ | 1866913047937810432 |
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| author | Wang, Yuyang Liu, Xin |
| author_facet | Wang, Yuyang Liu, Xin |
| contents | Variational Monte Carlo (VMC) combined with expressive neural network wavefunctions has become a powerful route to high-accuracy ground-state calculations, yet its practical success hinges on efficient and stable wavefunction optimization. While stochastic reconfiguration (SR) provides a geometry-aware preconditioner motivated by imaginary-time evolution, its Kaczmarz-inspired variant, subsampled projected-increment natural gradient descent (SPRING), achieves state-of-the-art empirical performance. However, the effectiveness of SPRING is highly sensitive to the choice of a momentum-like parameter $μ$. The original sensitivity of $μ$ and the instability observed at $μ=1$, have remained unclear. In this work, we clarify the distinct mechanisms governing the regimes $μ<1$ and $μ=1$. We establish convergence guarantees for $0\leμ<1$ under mild assumptions, and construct counterexamples showing that $μ=1$ can induce divergence via uncontrolled growth along kernel-related directions when the step-size is not summable. Motivated by these theoretical insights and numerical observations, we further propose \textit{Principal Range Informed MomEntum SR} (PRIME-SR), a tuning-free momentum-adaptive SR method based on effective spectral dimension and subspace overlap. PRIME-SR achieves performance comparable to optimally tuned SPRING while significantly improving robustness in VMC optimization. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2604_18357 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Momentum Stability and Adaptive Control in Stochastic Reconfiguration Wang, Yuyang Liu, Xin Optimization and Control Numerical Analysis Computational Physics Quantum Physics Variational Monte Carlo (VMC) combined with expressive neural network wavefunctions has become a powerful route to high-accuracy ground-state calculations, yet its practical success hinges on efficient and stable wavefunction optimization. While stochastic reconfiguration (SR) provides a geometry-aware preconditioner motivated by imaginary-time evolution, its Kaczmarz-inspired variant, subsampled projected-increment natural gradient descent (SPRING), achieves state-of-the-art empirical performance. However, the effectiveness of SPRING is highly sensitive to the choice of a momentum-like parameter $μ$. The original sensitivity of $μ$ and the instability observed at $μ=1$, have remained unclear. In this work, we clarify the distinct mechanisms governing the regimes $μ<1$ and $μ=1$. We establish convergence guarantees for $0\leμ<1$ under mild assumptions, and construct counterexamples showing that $μ=1$ can induce divergence via uncontrolled growth along kernel-related directions when the step-size is not summable. Motivated by these theoretical insights and numerical observations, we further propose \textit{Principal Range Informed MomEntum SR} (PRIME-SR), a tuning-free momentum-adaptive SR method based on effective spectral dimension and subspace overlap. PRIME-SR achieves performance comparable to optimally tuned SPRING while significantly improving robustness in VMC optimization. |
| title | Momentum Stability and Adaptive Control in Stochastic Reconfiguration |
| topic | Optimization and Control Numerical Analysis Computational Physics Quantum Physics |
| url | https://arxiv.org/abs/2604.18357 |