Neural-network quantum states (NQS) has emerged as a powerful application of quantum-inspired deep learning for variational Monte Carlo methods, offering a competitive alternative to existing techniques for identifying ground states of quantum problems. A significant advancement toward improving the practical scalability of NQS has been the incorporation of autoregressive models, most recently transformers, as variational ansatze. Transformers learn sequence information with greater expressiveness than recurrent models, but at the cost of increased time complexity with respect to sequence length. We explore the use of the retentive network (RetNet), a recurrent alternative to transformers, as an ansatz for solving electronic ground state problems in $\textit{ab initio}$ quantum chemistry. Unlike transformers, RetNets overcome this time complexity bottleneck by processing data in parallel during training, and recurrently during inference. We give a simple computational cost estimate of the RetNet and directly compare it with similar estimates for transformers, establishing a clear threshold ratio of problem-to-model size past which the RetNet's time complexity outperforms that of the transformer. Though this efficiency can comes at the expense of decreased expressiveness relative to the transformer, we overcome this gap through training strategies that leverage the autoregressive structure of the model -- namely, variational neural annealing. Our findings support the RetNet as a means of improving the time complexity of NQS without sacrificing accuracy. We provide further evidence that the ablative improvements of neural annealing extend beyond the RetNet architecture, suggesting it would serve as an effective general training strategy for autoregressive NQS.

Gauge Theory plays a crucial role in many areas in science, including high energy physics, condensed matter physics and quantum information science. In quantum simulations of lattice gauge theory, an important step is to construct a wave function that obeys gauge symmetry. In this paper, we have developed gauge equivariant neural network wave function techniques for simulating continuous-variable quantum lattice gauge theories in the Hamiltonian formulation. We have applied the gauge equivariant neural network approach to find the ground state of 2 + 1-dimensional lattice gauge theory with U(1) gauge group using variational Monte Carlo. We have benchmarked our approach against the state-of-the-art complex Gaussian wave functions, demonstrating improved performance in the strong coupling regime and comparable results in the weak coupling regime.

Variational quantum algorithms (VQAs) utilize a hybrid quantum-classical architecture to recast problems of high-dimensional linear algebra as ones of stochastic optimization. Despite the promise of leveraging near- to intermediate-term quantum resources to accelerate this task, the computational advantage of VQAs over wholly classical algorithms has not been firmly established. For instance, while the variational quantum eigensolver (VQE) has been developed to approximate low-lying eigenmodes of high-dimensional sparse linear operators, analogous classical optimization algorithms exist in the variational Monte Carlo (VMC) literature, utilizing neural networks in place of quantum circuits to represent quantum states. In this paper we ask if classical stochastic optimization algorithms can be constructed paralleling other VQAs, focusing on the example of the variational quantum linear solver (VQLS). We find that such a construction can be applied to the VQLS, yielding a paradigm that could theoretically extend to other VQAs of similar form.

Variational optimization of parametrized quantum circuits is an integral component for many hybrid quantum-classical algorithms, which are arguably the most promising applications of Noisy Intermediate-Scale Quantum (NISQ) computers [1]. Applications include the Variational Quantum Eigensolver (VQE) [2], Quantum Approximate Optimization Algorithm (QAOA) [3] and Quantum Neural Networks (QNNs) [4-6]. All the above are examples of stochastic optimization problems whereby one minimizes the expected value of a random cost function over a set of variational parameters, using noisy estimates of the cost and/or its gradient. In the quantum setting these estimates are obtained by repeated measurements of some Hermitian observables for a quantum state which depends on the variational parameters. A variety of optimization methods have been proposed in the variational quantum circuit literature for determining optimal variational parameters, including derivative-free (zeroth-order) methods such as Nelder-Mead, finite-differencing [7] or SPSA [8].

Batch Normalization (BatchNorm) is an extremely useful component of modern neural network architectures, enabling optimization using higher learning rates and achieving faster convergence. In this paper, we use mean-field theory to analytically quantify the impact of BatchNorm on the geometry of the loss landscape for multi-layer networks consisting of fully-connected and convolutional layers. We show that it has a flattening effect on the loss landscape, as quantified by the maximum eigenvalue of the Fisher Information Matrix. These findings are then used to justify the use of larger learning rates for networks that use BatchNorm, and we provide quantitative characterization of the maximal allowable learning rate to ensure convergence. Experiments support our theoretically predicted maximum learning rate, and furthermore suggest that networks with smaller values of the BatchNorm parameter γ achieve lower loss after the same number of epochs of training.

Inspired by the possibility that generative models based on quantum circuits can provide a useful inductive bias for sequence modeling tasks, we propose an efficient training algorithm for a subset of classically simulable quantum circuit models. The gradient-free algorithm, presented as a sequence of exactly solvable effective models, is a modification of the density matrix renormalization group procedure adapted for learning a probability distribution. The conclusion that circuit-based models offer a useful inductive bias for classical datasets is supported by experimental results on the parity learning problem.

Motivated by the pursuit of a systematic computational and algorithmic understanding of Generative Adversarial Networks (GANs), we present a simple yet unified non-asymptotic local convergence theory for smooth two-player games, which subsumes several discrete-time gradient-based saddle point dynamics. The analysis reveals the surprising nature of the off-diagonal interaction term as both a blessing and a curse. On the one hand, this interaction term explains the origin of the slow-down effect in the convergence of Simultaneous Gradient Ascent (SGA) to stable Nash equilibria. On the other hand, for the unstable equilibria, exponential convergence can be proved thanks to the interaction term, for three modified dynamics which have been proposed to stabilize GAN training: Optimistic Mirror Descent (OMD), Consensus Optimization (CO) and Predictive Method (PM). The analysis uncovers the intimate connections among these stabilizing techniques, and provides detailed characterization on the choice of learning rate.

We study the relationship between geometry and capacity measures for deep neural networks from an invariance viewpoint. We introduce a new notion of capacity --- the Fisher-Rao norm --- that possesses desirable invariance properties and is motivated by Information Geometry. We discover an analytical characterization of the new capacity measure, through which we establish norm-comparison inequalities and further show that the new measure serves as an umbrella for several existing norm-based complexity measures. We discuss upper bounds on the generalization error induced by the proposed measure. Extensive numerical experiments on CIFAR-10 support our theoretical findings. Our theoretical analysis rests on a key structural lemma about partial derivatives of multi-layer rectifier networks.