The challenge posed by the many-body problem in quantum physics originates from the difficulty of describing the nontrivial correlations encoded in the many-body wave functions with high complexity. Quantum neural network provides a powerful tool to represent the large-scale wave function, which has aroused widespread concern in the quantum superiority era. A significant open problem is what exactly the representational power boundary of the single-layer quantum neural network is. In this paper, we design a 2-local Hamiltonian and then give a kind of Quantum Restricted Boltzmann Machine (QRBM, i.e. single-layer quantum neural network) based on it. The proposed QRBM has the following two salient features. (1) It is proved universal for implementing quantum computation tasks. (2) It can be efficiently implemented on the Noisy Intermediate-Scale Quantum (NISQ) devices. We successfully utilize the proposed QRBM to compute the wave functions for the notable cases of physical interest including the ground state as well as the Gibbs state (thermal state) of molecules on the superconducting quantum chip. The experimental results illustrate the proposed QRBM can compute the above wave functions with an acceptable error.
Neural-Network Quantum State (NQS) has attracted significant interests as a powerful wave-function ansatz to model quantum phenomena. In particular, a variant of NQS based on the restricted Boltzmann machine (RBM) has been adapted to model the ground state of spin lattices and the electronic structures of small molecules in quantum devices. Despite these progresses, significant challenges remain with the RBM-NQS based quantum simulations. In this work, we present a state-preparation protocol to generate a specific set of complex-valued RBM-NQS, that we name the unitary-coupled RBM-NQS, in quan…
A Restricted Boltzmann Machine with Quantum-State Visible Units
Institute for Advanced Study in Physics and School of Physics, Zhejiang University（浙江大学物理学院和高等研究院）；Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences（中国科学院精密测量科学与技术创新研究院武汉物理与数学研究所）
Generative modeling with machine learning has provided a new perspective on the data-driven task of reconstructing quantum states from a set of qubit measurements. As increasingly large experimental quantum devices are built in laboratories, the question of how these machine learning techniques scale with the number of qubits is becoming crucial. We empirically study the scaling of restricted Boltzmann machines (RBMs) applied to reconstruct ground-state wavefunctions of the one-dimensional transverse-field Ising model from projective measurement data. We define a learning criterion via a thres…
We construct a hidden variable model for the EPR correlations using a Restricted Boltzmann Machine. The model reproduces the expected correlations and thus violates the Bell inequality, as required by Bell's theorem. Unlike most hidden-variable models, this model does not violate the $locality$ assumption in Bell's argument. Rather, it violates $measurement$ $independence$, albeit in a decidedly non-conspiratorial way.
The critical point and the critical exponents for a phase transition can be determined using the Finite-Size Scaling (FSS) analysis. This method assumes that the phase transition occurs only in the infinite size limit. However, there has been a lot of interest recently in quantum phase transitions occuring in finite size systems such as a single two-level system interacting with a single bosonic mode e.g. in the Quantum Rabi Model (QRM). Since, these phase transitions occur at a finite system size, the traditional FSS method is rendered inapplicable for these cases. For cases like this, we pro…
We consider representing two classes of 1D quantum wave functions of spin systems, including the AKLT and CFT correlator wave functions, in terms of multi-layer restricted Boltzmann machines. In our prescription, the AKLT wave function can be exactly represented by a 2-layer restricted Boltzmann machine with five hidden spins per visible spin. The construction can be generalized to prove that any MPS wave function on $N$ unit cells with finite bond dimension can be approximated by a 2-layer restricted Boltzmann machine with $\mathcal{O}(N)$ hidden spins within an error which scales linearly wi…
A restricted Boltzmann machine is a generative probabilistic graphic network. A probability of finding the network in a certain configuration is given by the Boltzmann distribution. Given training data, its learning is done by optimizing parameters of the energy function of the network. In this paper, we analyze the training process of the restricted Boltzmann machine in the context of statistical physics. As an illustration, for small size Bar-and-Stripe patterns, we calculate thermodynamic quantities such as entropy, free energy, and internal energy as a function of training epoch. We demons…
We develop a machine learning method to construct accurate ground-state wave functions of strongly interacting and entangled quantum spin as well as fermionic models on lattices. A restricted Boltzmann machine algorithm in the form of an artificial neural network is combined with a conventional variational Monte Carlo method with pair product (geminal) wave functions and quantum number projections. The combination allows an application of the machine learning scheme to interacting fermionic systems. The combined method substantially improves the accuracy beyond that ever achieved by each metho…
Expressive equivalence of classical and quantum restricted Boltzmann machines
Computation-Based Science and Technology Research Center, The Cyprus Institute（计算科学与技术研究中心、塞浦路斯研究所）；European Organisation for Nuclear Research (CERN)（欧洲核子研究中心）
Variational Monte Carlo with neural network quantum states has proven to be a promising avenue for evaluating the ground state energy of spin Hamiltonians. However, despite continuous efforts the performance of the method on frustrated Hamiltonians remains significantly worse than those on stoquastic Hamiltonians that are sign-free. We present a detailed and systematic study of restricted Boltzmann machine (RBM) based variational Monte Carlo for quantum spin chains, resolving how relevant stoquasticity is in this setting. We show that in most cases, when the Hamiltonian is phase connected with…
RIKEN Center for Emergent Matter Science (CEMS)（理化学研究所新兴物质科学中心（CEMS））；The University of Tokyo（东京大学）
Restricted Boltzmann Machines (RBMs) offer a versatile architecture for unsupervised machine learning that can in principle approximate any target probability distribution with arbitrary accuracy. However, the RBM model is usually not directly accessible due to its computational complexity, and Markov-chain sampling is invoked to analyze the learned probability distribution. For training and eventual applications, it is thus desirable to have a sampler that is both accurate and efficient. We highlight that these two goals generally compete with each other and cannot be achieved simultaneously.…
Restricted Boltzmann machines (RBMs) have proven to be a powerful tool for learning quantum wavefunction representations from qubit projective measurement data. Since the number of classical parameters needed to encode a quantum wavefunction 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 wavefunction 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 …
Representation by neural networks, in particular by restricted Boltzmann machines (RBM), has provided a powerful computational tool to solve quantum many-body problems. An important open question is how to characterize which class of quantum states can be efficiently represented with the RBM. Here, we show that the RBM can efficiently represent a wide class of many-body entangled states with rich exotic topological orders. This includes: (1) ground states of double semion and twisted quantum double models with intrinsic topological orders; (2) states of the AKLT model and 2D CZX model with sym…
We discuss the relations between restricted Boltzmann machine (RBM) states and the matrix product states (MPS) for the ground states of 1D translational invariant stabilizer codes. A generic translational invariant and finitely connected RBM state can be expressed as an MPS, and the matrices of the resulting MPS are of rank 1. We dub such an MPS as an RBM-MPS. This provides a necessary condition for exactly realizing a quantum state as an RBM state, if the quantum state can be written as an MPS. For generic 1D stabilizer codes having a non-degenerate ground state with periodic boundary conditi…
Although artificial neural networks have recently been proven to provide a promising new framework for constructing quantum many-body wave functions, the parameterization of a quantum wavefunction with nonabelian symmetries in terms of a Boltzmann machine inherently leads to biased results due to the basis dependence. We demonstrate that this problem can be overcome by sampling in the basis of irreducible representations instead of spins, for which the corresponding ansatz respects the nonabelian symmetries of the system. We apply our methodology to find the ground states of the one-dimensiona…
The restricted Boltzmann machine (RBM) is one of the fundamental building blocks of deep learning. RBM finds wide applications in dimensional reduction, feature extraction, and recommender systems via modeling the probability distributions of a variety of input data including natural images, speech signals, and customer ratings, etc. We build a bridge between RBM and tensor network states (TNS) widely used in quantum many-body physics research. We devise efficient algorithms to translate an RBM into the commonly used TNS. Conversely, we give sufficient and necessary conditions to determine whe…
The projective quantum Monte Carlo (PQMC) algorithms are among the most powerful computational techniques to simulate the ground state properties of quantum many-body systems. However, they are efficient only if a sufficiently accurate trial wave function is used to guide the simulation. In the standard approach, this guiding wave function is obtained in a separate simulation that performs a variational minimization. Here we show how to perform PQMC simulations guided by an adaptive wave function based on a restricted Boltzmann machine. This adaptive wave function is optimized along the PQMC s…
The search for novel entangled phases of matter has lead to the recent discovery of a new class of ``entanglement transitions'', exemplified by random tensor networks and monitored quantum circuits. Most known examples can be understood as some classical ordering transitions in an underlying statistical mechanics model, where entanglement maps onto the free energy cost of inserting a domain wall. In this paper, we study the possibility of entanglement transitions driven by physics beyond such statistical mechanics mappings. Motivated by recent applications of neural network-inspired variationa…
Fermi National Accelerator Laboratory（费米国家加速器实验室）；Lockheed Martin Advanced Technology Center（洛克希德·马丁先进技术中心）；Kavli Institute for Cosmological Physics, University of Chicago（芝加哥大学卡弗里宇宙学物理研究所）；Department of Astronomy and Astrophysics, University of Chicago（芝加哥大学天文与天体物理学系）
We present the application of Restricted Boltzmann Machines (RBMs) to the task of astronomical image classification using a quantum annealer built by D-Wave Systems. Morphological analysis of galaxies provides critical information for studying their formation and evolution across cosmic time scales. We compress galaxy images using principal component analysis to fit a representation on the quantum hardware. Then, we train RBMs with discriminative and generative algorithms, including contrastive divergence and hybrid generative-discriminative approaches, to classify different galaxy morphologie…
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 …
Recently, the use of neural quantum states for describing the ground state of many- and few-body problems has been gaining popularity because of their high expressivity and ability to handle intractably large Hilbert spaces. In particular, methods based on variational Monte Carlo have proven to be successful in describing the physics of bosonic systems such as the Bose-Hubbard (BH) model. However, this technique has not been systematically tested on the parameter space of the BH model, particularly at the boundary between the Mott insulator and superfluid phases. In this work, we evaluate the …
