Exploring the Effect of Basis Rotation on NQS Performance
- URL: http://arxiv.org/abs/2512.17893v1
- Date: Fri, 19 Dec 2025 18:49:33 GMT
- Title: Exploring the Effect of Basis Rotation on NQS Performance
- Abstract summary: We show that local basis rotations leave the loss landscape unchanged while relocating the exact wavefunction in parameter space.<n>By sweeping a rotation angle, we compute quantum Fisher information and Fubini-Study distances to quantify how the rotated wavefunction moves within the loss landscape.<n>We introduce a framework based on an analytically solvable rotated Ising model to investigate how relocating the target wavefunction within a fixed loss landscape exposes information-geometric barriers.
- Score: 0.0
- License: http://creativecommons.org/licenses/by/4.0/
- Abstract: Neural Quantum States (NQS) use neural networks to represent wavefunctions of quantum many-body systems, but their performance depends on the choice of basis, yet the underlying mechanism remains poorly understood. We use a fully solvable one-dimensional Ising model to show that local basis rotations leave the loss landscape unchanged while relocating the exact wavefunction in parameter space, effectively increasing its geometric distance from typical initializations. By sweeping a rotation angle, we compute quantum Fisher information and Fubini-Study distances to quantify how the rotated wavefunction moves within the loss landscape. Shallow architectures (with focus on Restricted Boltzmann Machines (RBMs)) trained with quantum natural gradient are more likely to fall into saddle-point regions depending on the rotation angle: they achieve low energy error but fail to reproduce correct coefficient distributions. In the ferromagnetic case, near-degenerate eigenstates create high-curvature barriers that trap optimization at intermediate fidelities. We introduce a framework based on an analytically solvable rotated Ising model to investigate how relocating the target wavefunction within a fixed loss landscape exposes information-geometric barriers,such as saddle points and high-curvature regions,that hinder shallow NQS optimization, underscoring the need for landscape-aware model design in variational training.
Related papers
- Probabilistic Physics-Informed Neural Networks for Estimating Heterogeneous Elastic Properties from Low-Resolution and Noisy Displacement Data [4.791233143264229]
Estimating elastic properties from low-resolution displacement measurements is a severely ill-posed inverse elasticity problem.<n>Existing inverse methods often rely on high-fidelity observations and manually prespecified loss weights.<n>We propose a Probabilistic Inverse Elasticity Physics-Informed Neural Network (PIE-PINN) framework for robust estimation.
arXiv Detail & Related papers (2026-07-16T04:43:39Z) - One More Time: Revisiting Neural Quantum States from a Reinforcement Learning Perspective [2.390638133661186]
Neural quantum states (NQS) provide a flexible and scalable framework for approximating quantum many-body wavefunctions.<n>We show that variational energy minimization can be viewed as an advantage policy-gradient problem over the Born distribution.<n>We introduce Proximal Wavefunction Optimization (PWO), a principled trust-region algorithm that clips probability-ratio changes in the amplitude channel.
arXiv Detail & Related papers (2026-07-02T15:09:50Z) - Learning Laplacian Eigenspace with Mass-Aware Neural Operators on Point Clouds [13.977358640919462]
We introduce the Neuralspace Operator (NEO), a feed-forward framework to predict the spectrum directly from point clouds.<n>NEO circumvents the ill-posed nature of standard eigenvector regression, by learning the stable, invariant low-frequency subspace instead.<n>Our approach achieves near-linear runtime scaling and substantial wall-clock speedups over iterative solvers at comparable accuracy.
arXiv Detail & Related papers (2026-05-23T04:21:20Z) - Quantum Multiple Rotation Averaging [28.27979152030028]
Multiple quadratic averaging (MRA) is a fundamental optimization problem in 3D vision and robotics.<n>We introduce IQARS (Iterative Quantum Anneal Rotationing for Synchronization), the first algorithm that reformulates MRA as a sequence.<n>We evaluate IQARS's performance on synthetic and real-world datasets.
arXiv Detail & Related papers (2026-02-10T18:59:54Z) - High-Fidelity Modeling of Stochastic Chemical Dynamics on Complex Manifolds: A Multi-Scale SIREN-PINN Framework for the Curvature-Perturbed Ginzburg-Landau Equation [0.0]
This work establishes a new paradigm for Geometric Catalyst Design, offering a mesh-free, data-driven tool for identifying surface heterogeneity and engineering passive control strategies in turbulent chemical reactors.
arXiv Detail & Related papers (2026-01-13T00:52:23Z) - Entanglement and optimization within autoregressive neural quantum states [3.318269729347296]
Neural quantum states (NQS) are powerful variational ans"atze capable of representing highly entangled quantum many-body wavefunctions.<n>We perform large-scale simulations of ensembles of random autoregressive wavefunctions for chains of up to $256$ spins.<n>We uncover signatures of transitions in their average entanglement scaling, entanglement spectra, and correlation functions.
arXiv Detail & Related papers (2025-09-15T18:59:19Z) - ProPINN: Demystifying Propagation Failures in Physics-Informed Neural Networks [71.02216400133858]
Physics-informed neural networks (PINNs) have earned high expectations in solving partial differential equations (PDEs)<n>Previous research observed the propagation failure phenomenon of PINNs.<n>This paper provides a formal and in-depth study of propagation failure and its root cause.
arXiv Detail & Related papers (2025-02-02T13:56:38Z) - 3D Equivariant Pose Regression via Direct Wigner-D Harmonics Prediction [50.07071392673984]
Existing methods learn 3D rotations parametrized in the spatial domain using angles or quaternions.
We propose a frequency-domain approach that directly predicts Wigner-D coefficients for 3D rotation regression.
Our method achieves state-of-the-art results on benchmarks such as ModelNet10-SO(3) and PASCAL3D+.
arXiv Detail & Related papers (2024-11-01T12:50:38Z) - Exploring quantum localization with machine learning [39.58317527488534]
We introduce an efficient neural network (NN) architecture for classifying wave functions in terms of their localization.
Our approach integrates a versatile quantum phase space parametrization leading to a custom 'quantum' NN, with the pattern recognition capabilities of a modified convolutional model.
arXiv Detail & Related papers (2024-06-01T08:50:26Z) - Scalable Imaginary Time Evolution with Neural Network Quantum States [0.0]
The representation of a quantum wave function as a neural network quantum state (NQS) provides a powerful variational ansatz for finding the ground states of many-body quantum systems.
We introduce an approach that bypasses the computation of the metric tensor and instead relies exclusively on first-order descent with Euclidean metric.
We make this method adaptive and stable by determining the optimal time step and keeping the target fixed until the energy of the NQS decreases.
arXiv Detail & Related papers (2023-07-28T12:26:43Z) - Adaptive Self-supervision Algorithms for Physics-informed Neural
Networks [59.822151945132525]
Physics-informed neural networks (PINNs) incorporate physical knowledge from the problem domain as a soft constraint on the loss function.
We study the impact of the location of the collocation points on the trainability of these models.
We propose a novel adaptive collocation scheme which progressively allocates more collocation points to areas where the model is making higher errors.
arXiv Detail & Related papers (2022-07-08T18:17:06Z) - Momentum Diminishes the Effect of Spectral Bias in Physics-Informed
Neural Networks [72.09574528342732]
Physics-informed neural network (PINN) algorithms have shown promising results in solving a wide range of problems involving partial differential equations (PDEs)
They often fail to converge to desirable solutions when the target function contains high-frequency features, due to a phenomenon known as spectral bias.
In the present work, we exploit neural tangent kernels (NTKs) to investigate the training dynamics of PINNs evolving under gradient descent with momentum (SGDM)
arXiv Detail & Related papers (2022-06-29T19:03:10Z) - Avoiding barren plateaus via transferability of smooth solutions in
Hamiltonian Variational Ansatz [0.0]
Variational Quantum Algorithms (VQAs) represent leading candidates to achieve computational speed-ups on current quantum devices.
Two major hurdles are the proliferation of low-quality variational local minima, and the exponential vanishing of gradients in the cost function landscape.
Here we show that by employing iterative search schemes one can effectively prepare the ground state of paradigmatic quantum many-body models.
arXiv Detail & Related papers (2022-06-04T12:52:29Z) - Learning High-Precision Bounding Box for Rotated Object Detection via
Kullback-Leibler Divergence [100.6913091147422]
Existing rotated object detectors are mostly inherited from the horizontal detection paradigm.
In this paper, we are motivated to change the design of rotation regression loss from induction paradigm to deduction methodology.
arXiv Detail & Related papers (2021-06-03T14:29:19Z) - Pushing the Envelope of Rotation Averaging for Visual SLAM [69.7375052440794]
We propose a novel optimization backbone for visual SLAM systems.
We leverage averaging to improve the accuracy, efficiency and robustness of conventional monocular SLAM systems.
Our approach can exhibit up to 10x faster with comparable accuracy against the state-art on public benchmarks.
arXiv Detail & Related papers (2020-11-02T18:02:26Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.