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Exploring the Effect of Basis Rotation on NQS Performance

arXiv 2512.17893 ↗First posted 19 Dec 2025quant-ph cs.AIcited by 0

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Abstract (arXiv)

Neural Quantum States (NQS) are powerful variational representations of quantum many-body wavefunctions, yet their performance depends sensitively on the chosen basis. Using an exactly solvable one-dimensional Ising model, we show that local basis rotations leave the minimization landscape unchanged while relocating the exact ground state in parameter space. This provides a controlled framework to disentangle representational limitations from optimization-induced trainability effects. This geometric displacement, quantified through information-geometric measures, can steer optimization of shallow architectures toward saddle points and high-curvature regions. As a result, low energy errors may coexist with an incorrect wavefunction structure. By comparing energy and infidelity optimization within the same variational architectures, we show that optimization failure can persist even when the rotated target state remains representable. Our results identify a geometric mechanism contributing to basis dependence in NQS and motivate landscape-aware variational design.

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References · 12

  1. 2018UMAP: Uniform Manifold Approximation and Projection for Dimension Reductioncited by 2,841
  2. 2018Reconciling modern machine learning practice and the bias-variance trade-offcited by 919
  3. 2015Automatic differentiation in machine learning: a surveycited by 846
  4. 2018Barren plateaus in quantum neural network training landscapescited by 624
  5. 2014New insights and perspectives on the natural gradient methodcited by 435
  6. 2020The power of quantum neural networkscited by 377
  7. 2014Identifying and attacking the saddle point problem in high-dimensional non-convex optimizationcited by 286
  8. 2013Revisiting Natural Gradient for Deep Networkscited by 157
  9. 2019Quantum Natural Gradientcited by 104
  10. 2021NetKet 3: Machine Learning Toolbox for Many-Body Quantum Systemscited by 27
  11. 2024When can classical neural networks represent quantum states?cited by 6
  12. 2023Learning ground states of gapped quantum Hamiltonians with Kernel Methodscited by 2

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