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arXiv:2110.03676 · Physical review. B./Physical review. B

Pruning a restricted Boltzmann machine for quantum state reconstruction

Anna Golubeva, Roger G. Melko

Published Mar 21, 2022• 10 citations
arXivHTMLPDF

Abstract

Restricted Boltzmann machines (RBMs) have proven to be a powerful tool for learning quantum wave-function representations from qubit projective measurement data. Since the number of classical parameters needed to encode a quantum wave function scales rapidly with the number of qubits, the ability to learn efficient representations is of critical importance. In this paper, we study magnitude-based pruning as a way to compress the wave-function representation in an RBM, focusing on RBMs trained on data from the transverse-field Ising model in one dimension. We find that pruning can reduce the total number of RBM weights, but the threshold at which the reconstruction accuracy starts to degrade varies significantly depending on the phase of the model. In a gapped region of the phase diagram, the RBM admits pruning over half of the weights while still accurately reproducing relevant physical observables. At the quantum critical point, however, even a small amount of pruning can lead to significant loss of accuracy in the physical properties of the reconstructed quantum state. Our results highlight the importance of tracking all relevant observables as their sensitivity varies strongly with pruning. Finally, we find that sparse RBMs are trainable, and we discuss how a successful sparsity pattern can be created without pruning.

DOI
10.1103/physrevb.105.125124

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Restricted Boltzmann machines (RBMs) have proven to be a powerful tool for learning quantum wave-function representations from qubit projective measurement data. Since the number of classical parameters needed to encode a quantum wave function scales rapidly with the number of qubits, the ability to learn efficient representations is of critical importance. In this paper, we study magnitude-based pruning as a way to compress the wave-function representation in an RBM, focusing on RBMs trained on data from the transverse-field Ising model in one dimension. We find that pruning can reduce the total number of RBM weights, but the threshold at which the reconstruction accuracy starts to degrade varies significantly depending on the phase of the model. In a gapped region of the phase diagram, the RBM admits pruning over half of the weights while still accurately reproducing relevant physical observables. At the quantum critical point, however, even a small amount of pruning can lead to significant loss of accuracy in the physical properties of the reconstructed quantum state. Our results highlight the importance of tracking all relevant observables as their sensitivity varies strongly with pruning. Finally, we find that sparse RBMs are trainable, and we discuss how a successful sparsity pattern can be created without pruning.
Motivated by the recent success of machine learning techniques in many-body physics, the authors study the scaling complexities of quantum state reconstruction in the restricted Boltzmann machine on the paradigmatic one-dimensional transverse-field Ising model. The authors demonstrate that the scaling complexities in the number of parameters and in the size of the training data are polynomial. Moreover, they show that the number of parameters required for reconstruction can be significantly reduced via pruning out network weights -- indicating that overparameterization is required to facilitate the learning process.
Abstract Classification and data reconstruction using a restricted Boltzmann machine (RBM) is presented. RBM is an energy-based model which assigns low energy values to the configurations of interest. It is a generative model, once trained it can be used to produce samples from the target distribution. The D-Wave 2000Q is a quantum computer which has been used to exploit its quantum effect for machine learning. Bars-and-stripes (BAS) and cybersecurity (ISCX) datasets were used to train RBMs. The weights and biases of trained RBMs were used to map onto the D-Wave. Classification as well as image reconstruction were performed. Classification accuracy of both datasets indicates comparable performance using D-Wave’s adiabatic annealing and classical Gibb’s sampling.
In recent years, generative artificial neural networks based on restricted Boltzmann machines (RBMs) have been successfully employed as accurate and flexible variational wave functions for clean quantum many-body systems. In this article, we explore their use in simulations of disordered quantum Ising chains. The standard dense RBM with all-to-all interlayer connectivity is not particularly appropriate for large disordered systems, since in such systems one cannot exploit translational invariance to reduce the amount of parameters to be optimized. To circumvent this problem, we implement sparse RBMs, whereby the visible spins are connected only to a subset of local hidden neurons, thus reducing the amount of parameters. We assess the performance of sparse RBMs as a function of the range of the allowed connections, and we compare it with that of dense RBMs. Benchmark results are provided for two sign-problem-free Hamiltonians, namely pure and random quantum Ising chains. The RBM Ansätzes are trained using the unsupervised learning scheme based on projective quantum Monte Carlo (PQMC) algorithms. We find that the sparse connectivity facilitates the training process and allows sparse RBMs to outperform their dense counterparts. Furthermore, the use of sparse RBMs as guiding functions for PQMC simulations allows us to perform PQMC simulations at a reduced computational cost, avoiding possible biases due to finite random-walker populations. We obtain unbiased predictions for the ground-state energies and the magnetization profiles with fixed boundary conditions, at the ferromagnetic quantum critical point. The magnetization profiles agree with the Fisher-de Gennes scaling relation for conformally invariant systems, including the scaling dimension predicted by the renormalization-group analysis.
The restricted Boltzmann machine (RBM) is a two-layer energy-based model that uses its hidden-visible connections to learn the underlying distribution of visible units, whose interactions are often complicated by high-order correlations. Previous studies on the Ising model of small system sizes have shown that RBMs are able to accurately learn the Boltzmann distribution and reconstruct thermal quantities at temperatures away from the critical point Tc. How the RBM encodes the Boltzmann distribution and captures the phase transition are, however, not well explained. In this work, we perform RBM learning of the 2d and 3d Ising model and carefully examine how the RBM extracts useful probabilistic and physical information from Ising configurations. We find several indicators derived from the weight matrix that could characterize the Ising phase transition. We verify that the hidden encoding of a visible state tends to have an equal number of positive and negative units, whose sequence is randomly assigned during training and can be inferred by analyzing the weight matrix. We also explore the physical meaning of the visible energy and loss function (pseudo-likelihood) of the RBM and show that they could be harnessed to predict the critical point or estimate physical quantities such as entropy.
Quantum state tomography (QST) is essential for validating quantum devices but suffers from exponential scaling in system size. Neural-network quantum states, such as Restricted Boltzmann Machines (RBMs), can efficiently parameterize individual many-body quantum states and have been successfully used for QST. However, existing approaches are point-wise and require retraining at every parameter value in a phase diagram. We introduce a parametric QST framework based on a hypernetwork that conditions an RBM on Hamiltonian control parameters, enabling a single model to represent an entire family of quantum ground states. Applied to the transverse-field Ising model, our HyperRBM achieves high-fidelity reconstructions from local Pauli measurements on 1D and 2D lattices across both phases and through the critical region. Crucially, the model accurately reproduces the fidelity susceptibility and identifies the quantum phase transition without prior knowledge of the critical point. These results demonstrate that hypernetwork-modulated neural quantum states provide an efficient and scalable route to tomographic reconstruction across full phase diagrams.
Lately, there has been an extensive state-of-the-art research in Machine Learning methods, due to their important features such as universality in approximations and dimensional reduction. In this way, the present work aims at exploiting these properties of Machine Learning on physical many-body problems, in which a restricted Boltzmann Machine (RBM) is trained with quantum Monte Carlo data to best represent the ground state of an N spin system under the transverse field Ising model Hamiltonian in one dimension. During the path coursed along the development of this project, we first review classical well-implemented methods such as the single-layer perceptron, multi-layer perceptron for the XOR problem with back-propagation algorithm, discrete Hopfield network for pattern reconstruction, continuous Hopfield network with Simulated Annealing for solving the traveling salesman problem with 10 cities and the Boltzmann machine for feature extraction. Then, we review a few aspects of what is called a Quantum Boltzmann Machine and the basics of the transverse field Ising model. Finally, we train an RBM consisting of N visible neurons, hidden density neurons alpha=M/N=2 and 1-step contrastive divergence (CD_1), by minimizing the Kullbach-Liebler divergence of the RBM and the training data set coming from the algorithmic variant of quantum Monte Carlo, known as discrete Path-Integral Monte Carlo. For this last step, we use Trotter-Suzuki decomposition with m Trotter slices and the Wolff-s cluster algorithm. After training the RBM, we calculate magnetic observables based on the RBM-s wave-function such as longitudinal and transverse magnetization, for different values of transverse field and we do an estimation of the critical field at which the transverse Ising model system suffers a quantum phase transition from ferromagnet to paramagnet