Low-variance estimators overcome the phase-gradient bottleneck in complex-valued neural quantum states

Neural quantum states (NQS) provide a flexible and scalable framework for approximating quantum many-body wavefunctions. Among NQS parameterizations, autoregressive models are especially attractive because they enable exact, independent sampling from the Born distribution, avoiding the autocorrelation and mixing issues of Markov chain methods. Yet their optimization remains comparatively underexplored: Adam is a scalable method but ignores function space geometry, while stochastic reconfiguration is principled but costly and numerically fragile in large models. To address this gap, we show that variational energy minimization can be viewed as an advantage policy-gradient problem over the Born distribution, motivating trust-region optimization for NQS training. We introduce Proximal Wavefunction Optimization (PWO), a principled trust-region algorithm that clips probability-ratio changes in the amplitude channel and phase increments in the phase channel. PWO avoids explicit matrix inversion, reuses samples across multiple updates, and combines the scalability of first-order optimization with theoretical guarantees. Across Ising and frustrated $J_1$-$J_2$ one- and two-dimensional spin systems, PWO improves stability and wall-clock convergence over Adam, minSR, and SPRING. Finally, we fine-tune a $1.5$B-parameter RWKV-7 model, demonstrating NQS optimization at a scale over three orders of magnitude beyond prior work.

Neural quantum states offer expressive representations of quantum many-body wave functions, yet their practical accuracy can be limited by stochastic optimization rather than representational capacity. Here we identify a finite-sample instability, termed subspace trapping, in which physically important configurations become strongly underestimated, remain absent from successive sampling batches and receive insufficient gradient feedback. This self-reinforcing loss of sampled support can confine optimization to an effective subspace and produce apparently stationary states above the true ground state energy. To address this problem, we introduce annealed gradient descent (AGD), a sampling-aware update with annealing factor that temporarily increases the relative contribution of sampled low-probability configurations while limiting the dominance of high-probability ones. We establish the connection between finite-sample support loss and effective subspace optimization, and then evaluate the method across molecular systems, one and two-dimensional $J_1$-$J_2$ models. Annealed gradient descent suppresses metastable trapping, preserves physically relevant configurations and enables compact neural quantum states to attain chemical accuracy and competitive state-of-the-art performance. These results establish AGD as a lightweight complement to expressive neural architectures, improved sampling strategies for scalable quantum many-body optimization.

Complex-valued Neural Networks (CVNNs) are often motivated by domains where information is naturally encoded in magnitude and phase. Yet complex-valued inputs alone do not determine when complex arithmetic improves learning: the label signal may lie in amplitude, phase, their coupling, or a symmetry that real-valued models can also represent under suitable coordinates. We study this through a representation-first evaluation of CVNNs against Cartesian real, polar, phase-only, magnitude-only, parameter-matched real, and FLOP-matched real baselines. Across synthetic RF tasks, complex representations are useful but not universally superior. PSK-only tasks favor phase-aware and complex-valued models, QAM-only tasks favor magnitude-based models, mixed PSK+QAM gives only a small complex-valued advantage, and unseen carrier-phase rotations break coordinate-dependent models without augmentation. Similar patterns appear beyond RF: in quantum-wavefunction prediction, momentum is invisible to $|ψ|$ but recoverable from phase, while EEG analytic-signal experiments show that phase locking, amplitude bursts, and phase-amplitude coupling each favor different coordinate views. We also identify a benchmarking artifact on RadioML 2018.01A. Under matched-shared-trial selection, a CReLU complex model exceeds the best real baseline by 22.94 PP; under independent per-family tuning on the same data and 16-trial search space, the gap collapses to 2.46 PP. Gradient analysis traces the inflated gap to high-learning-rate first-step instability in real baselines, while complex parameter coupling distributes the loss signal more robustly. A learning-rate $\times$ activation factorial confirms the failure is primarily hyperparameter-driven. Overall, CVNNs are best viewed as structured inductive biases whose gains depend on representation, symmetry, and optimization, not as universally superior architectures.