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arXiv:2005.03568 · Physical review. E

Exact representations of many-body interactions with restricted-Boltzmann-machine neural networks

Ermal Rrapaj, Alessandro Roggero

Published Jan 8, 2021• 27 citations
arXivHTMLPDF

Abstract

Restricted Boltzmann machines (RBMs) are simple statistical models defined on a bipartite graph which have been successfully used in studying more complicated many-body systems, both classical and quantum. In this work, we exploit the representation power of RBMs to provide an exact decomposition of many-body contact interactions into one-body operators coupled to discrete auxiliary fields. This construction generalizes the well known Hirsch's transform used for the Hubbard model to more complicated theories such as pionless effective field theory in nuclear physics, which we analyze in detail. We also discuss possible applications of our mapping for quantum annealing applications and conclude with some implications for RBM parameter optimization through machine learning.

DOI
10.1103/physreve.103.013302

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Restricted Boltzmann machines (RBMs) are simple statistical models defined on a bipartite graph which have been successfully used in studying more complicated many-body systems, both classical and quantum. In this work, we exploit the representation power of RBMs to provide an exact decomposition of many-body contact interactions into one-body operators coupled to discrete auxiliary fields. This construction generalizes the well known Hirsch's transform used for the Hubbard model to more complicated theories such as pionless effective field theory in nuclear physics, which we analyze in detail. We also discuss possible applications of our mapping for quantum annealing applications and conclude with some implications for RBM parameter optimization through machine learning.
Abstract A restricted Boltzmann machine (RBM) is a two-layer neural-network machine-learning model comprising a visible layer that represents observed data and a hidden layer that captures correlations among the visible units. Rooted in ideas from statistical mechanics, RBMs provide a probabilistic framework for modeling complex, high-dimensional distributions through an energy function and a corresponding Boltzmann distribution. This review offers an accessible introduction to RBMs from a physics-oriented perspective, focusing on their core concepts and training principles. We survey key theoretical developments that interpret RBMs as many-body systems, highlighting their equilibrium/non-equilibrium thermodynamics, learning dynamics, mean-field properties, phase diagrams, and free energy calculation. We further discuss recent applications of RBMs to a range of physics problems, including quantum-mechanical wavefunction representation, statistical-mechanical Boltzmann distribution modeling, and biological protein sequence analysis.
Restricted Boltzmann machines (RBMs) and deep Boltzmann machines (DBMs) are important models in machine learning, and recently found numerous applications in quantum many-body physics. We show that there are fundamental connections between them and tensor networks. In particular, we demonstrate that any RBM and DBM can be exactly represented as a two-dimensional tensor network. This representation gives characterizations of the expressive power of RBMs and DBMs using entanglement structures of the tensor networks, and also provides an efficient tensor network contraction algorithm for the computing partition function of RBMs and DBMs. Using numerical experiments, we show that the proposed algorithm is more accurate than the state-of-the-art machine learning methods in estimating the partition function of RBMs and DBMs, and have potential applications in training DBMs for general machine learning tasks.
An artificial neural network (ANN) with the restricted Boltzmann machine (RBM) architecture was recently proposed as a versatile variational quantum many-body wave function. In this work we provide physical insights into the performance of this ansatz. We uncover the connection between the structure of the RBM and perturbation series, which explains the excellent precision achieved by the RBM ansatz in certain simple models, demonstrated in G. Carleo and M. Troyer [Science 355, 602 (2017)]. Based on this relation, we improve the numerical algorithm to achieve a better performance of the RBM in cases where local minima complicate the convergence to the global one. Furthermore, we study the performance of a sparse RBM for approximating ground states of random, translationally invariant models in one dimension, as well as random matrix-product states. We find that the error in approximating such states exhibits a broad distribution and shows a positive correlation with the entanglement properties of the targeted state.
Abstract Projected variational wavefunctions such as the Gutzwiller, many-body correlator and Jastrow ansatzes have provided crucial insight into the nature of superfluid-Mott insulator transition in the Bose Hubbard model (BHM) in two or more spatial dimensions. However, these ansatzes have no obvious tractable and systematic way of being improved. A promising alternative is to use Neural-network quantum states (NQS) based on Restricted Boltzmann Machines (RBMs). With binary visible and hidden units NQS have proven to be a highly effective at describing quantum states of interacting spin- 1 2 lattice systems. The application of NQS to bosonic systems has so far been based on one-hot encoding from machine learning where the multi-valued site occupation is distributed across several binary-valued visible units of an RBM. Compared to spin- 1 2 systems one-hot encoding greatly increases the number of variational parameters whilst also making their physical interpretation opaque. Here we revisit the construction of NQS for bosonic systems by reformulating a one-hot encoded RBM into a correlation operator applied to a reference state, analogous to the structure of the projected variational ansatzes. In this form we then propose a number of specialisations of the RBM motivated by the physics of the BHM and the ability to capture exactly the projected variational ansatzes. We analyse in detail the variational performance of these new RBM variants for a 10 × 10 BHM, using both a standard Bose condensate state and a pre-optimised Jastrow + many-body correlator state as the reference state of the calculation. Several of our new ansatzes give robust results as nearly good as one-hot encoding across the regimes of the BHM, but at a substantially reduced cost. Such specialised NQS are thus primed tackle bosonic lattice problems beyond the accuracy of classic variational wavefunctions.
Abstract The variational wave functions based on neural networks have recently started to be recognized as a powerful ansatz to represent quantum many-body states accurately. In order to show the usefulness of the method among all available numerical methods, it is imperative to investigate the performance in challenging many-body problems for which the exact solutions are not available. Here, we construct a variational wave function with one of the simplest neural networks, the restricted Boltzmann machine (RBM), and apply it to a fundamental but unsolved quantum spin Hamiltonian, the two-dimensional J 1 – J 2 Heisenberg model on the square lattice. We supplement the RBM wave function with quantum-number projections, which restores the symmetry of the wave function and makes it possible to calculate excited states. Then, we perform a systematic investigation of the performance of the RBM. We show that, with the help of the symmetry, the RBM wave function achieves state-of-the-art accuracy both in ground-state and excited-state calculations. The study shows a practical guideline on how we achieve accuracy in a controlled manner.
Machine-learning representations of many-body quantum states have recently been introduced as an ansatz to describe the ground states and unitary evolutions of many-body quantum systems. We investigate one of the most important representations, the restricted Boltzmann machine (RBM), in the stabilizer formalism. A general method to construct RBM representations for stabilizer code states is given, and exact RBM representations for several types of stabilizer groups with the number of hidden neurons equal to or less than the number of visible neurons are presented. The result indicates that the representation is extremely efficient. Then we analyze a surface code with boundaries, defects, domain walls, and twists in full detail and find that almost all the models can be efficiently represented via the RBM ansatz: the RBM parameters of the perfect case, boundary case, and defect case are constructed analytically using the method we provide in the stabilizer formalism, and the domain wall and twist case is studied numerically. In addition, the case for Kitaev's D(Zd)D({\mathbb{Z}}_{d})D(Zd​) model, which is a generalized model of the surface code, is also investigated.