Unsupervised machine learning via a restricted Boltzmann machine is an useful tool in distinguishing an ordered phase from a disordered phase. Here we study its application on the two-dimensional Ashkin-Teller model, which features a partially ordered product phase. We train the neural network with spin configuration data generated by Monte Carlo simulations and show that distinct features of the product phase can be learned from non-ergodic samples resulting from symmetry breaking. Careful analysis of the weight matrices inspires us to define a nontrivial machine-learning motivated quantity of the product form, which resembles the conventional product order parameter.
The restricted Boltzmann machine (RBM) is used to investigate short-range order in binary alloys. The network is trained on the data collected by Monte Carlo simulations for a simple Ising-like binary alloy model and used to calculate the Warren--Cowley short-range order parameter and other thermodynamic properties. We demonstrate that RBM not only reproduces the order parameters for the alloy concentration at which it was trained, but can also predict them for any other concentrations.
The restricted Boltzmann machine is a basic machine learning tool able, in principle, to model the distribution of some arbitrary dataset. Its standard training procedure appears however delicate and obscure in many respects. We bring some new insights to it by considering the situation where the data have low intrinsic dimension, offering the possibility of an exact treatment and revealing a fundamental failure of the standard training procedure. The reasons for this failure \textemdash~like the occurrence of first-order phase transitions during training~\textemdash \ are clarified thanks to …
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.
Institute of Mathematics, University of Zurich（苏黎世大学数学研究所）
We study the free energy of a most used deep architecture for restricted Boltzmann machines, where the layers are disposed in series. Assuming independent Gaussian distributed random weights, we show that the error term in the so-called replica symmetric sum rule can be optimised as a saddle point. This leads us to conjecture that in the replica symmetric approximation the free energy is given by a min max formula, which parallels the one achieved for two-layer case.
Motivated by recent advances in the representation of ground state wavefunctions of quantum many-body systems using restricted Boltzmann machines as variational ansatz, we utilize an open-source platform for constructing such ansatz called NetKet to explore the extent of applicability of restricted Boltzmann machines to bosonic lattice models. Within NetKet, we design and train these machines for the one-dimensional Bose-Hubbard model through a Monte Carlo sampling of the Fock space. We vary parameters such as the strength of the onsite repulsion, the chemical potential, the system size and th…
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 define a message-passing algorithm for computing magnetizations in Restricted Boltzmann machines, which are Ising models on bipartite graphs introduced as neural network models for probability distributions over spin configurations. To model nontrivial statistical dependencies between the spins' couplings, we assume that the rectangular coupling matrix is drawn from an arbitrary bi-rotation invariant random matrix ensemble. Using the dynamical functional method of statistical mechanics we exactly analyze the dynamics of the algorithm in the large system limit. We prove the global convergenc…
We propose a Restricted Boltzmann Machine (RBM) neural network using a quantum thermodynamics formalism and the maximization of entropy as the cost function for the optimization problem. We verify the possibility of using an entropy maximization approach for modeling physical systems by applying it to the Inverse Ising Problem, which describes a system of interacting spins. The temperature-dependent behaviors of physical quantities, such as magnetization and Gibbs energy, were calculated from the Ising Hamiltonian whose coefficients were obtained through entropy maximization and were found to …
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 $T_c$. How the RBM encodes the Boltzmann distribution and captures the phase transition are, however, not well explained. In this work, we perform …
Focusing on the grand-canonical extension of the ordinary restricted Boltzmann machine, we suggest an energy-based model for feature extraction that uses a layer of hidden units with varying size. By an appropriate choice of the chemical potential and given a sufficiently large number of hidden resources the generative model is able to efficiently deduce the optimal number of hidden units required to learn the target data with exceedingly small generalization error. The formal simplicity of the grand-canonical ensemble combined with a rapidly converging ansatz in mean-field theory enable us to…
The Restricted Boltzmann Machine (RBM), an important tool used in machine learning in particular for unsupervized learning tasks, is investigated from the perspective of its spectral properties. Starting from empirical observations, we propose a generic statistical ensemble for the weight matrix of the RBM and characterize its mean evolution. This let us show how in the linear regime, in which the RBM is found to operate at the beginning of the training, the statistical properties of the data drive the selection of the unstable modes of the weight matrix. A set of equations characterizing the …
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…
We explore alternative experimental setups for the iterative sampling (flow) from Restricted Boltzmann Machines (RBM) mapped on the temperature space of square lattice Ising models by a neural network thermometer. This framework has been introduced to explore connections between RBM-based deep neural networks and the Renormalization Group (RG). It has been found that, under certain conditions, the flow of an RBM trained with Ising spin configurations approaches in the temperature space a value around the critical one: $ k_B T_c / J \approx 2.269$. In this paper we consider datasets with no inf…
Extracting automatically the complex set of features composing real high-dimensional data is crucial for achieving high performance in machine--learning tasks. Restricted Boltzmann Machines (RBM) are empirically known to be efficient for this purpose, and to be able to generate distributed and graded representations of the data. We characterize the structural conditions (sparsity of the weights, low effective temperature, nonlinearities in the activation functions of hidden units, and adaptation of fields maintaining the activity in the visible layer) allowing RBM to operate in such a composit…
École Normale Supérieure, PSL Research University（巴黎高等师范学院，PSL研究大学）；Université Pierre et Marie Curie, Sorbonne Universités（皮埃尔和玛丽·居里大学，索邦大学）；INRIA Paris（法国国家信息与自动化研究所巴黎中心）
In this work, we consider compressed sensing reconstruction from $M$ measurements of $K$-sparse structured signals which do not possess a writable correlation model. Assuming that a generative statistical model, such as a Boltzmann machine, can be trained in an unsupervised manner on example signals, we demonstrate how this signal model can be used within a Bayesian framework of signal reconstruction. By deriving a message-passing inference for general distribution restricted Boltzmann machines, we are able to integrate these inferred signal models into approximate message passing for compress…
Russian Quantum Center（俄罗斯量子中心）；National University of Science and Technology MISiS（国立科学技术大学MISiS）；National Research Nuclear University MEPhI（国立研究型核大学MEPhI）
We propose a novel quantum model for the restricted Boltzmann machine (RBM), in which the visible units remain classical whereas the hidden units are quantized as noninteracting fermions. The free motion of the fermions is parametrically coupled to the classical signal of the visible units. This model possesses a quantum behaviour such as coherences between the hidden units. Numerical experiments show that this fact makes it more powerful than the classical RBM with the same number of hidden units. At the same time, a significant advantage of the proposed model over the other approaches to the…
Fundamental operating regimes, hyper-parameter fine-tuning and glassiness: towards an interpretable replica-theory for trained restricted Boltzmann machines
Sapienza University of Roma（罗马第一大学）；Radboud University（拉德堡德大学）；Saddle Point Science Europe（鞍点科学欧洲研究院）
Università del Salento（萨伦托大学）；Universität Zürich（苏黎世大学）；King College London（伦敦国王学院）；Scuola Normale Superiore（比萨高等师范学校）
We study Generalised Restricted Boltzmann Machines with generic priors for units and weights, interpolating between Boolean and Gaussian variables. We present a complete analysis of the replica symmetric phase diagram of these systems, which can be regarded as Generalised Hopfield models. We underline the role of the retrieval phase for both inference and learning processes and we show that retrieval is robust for a large class of weight and unit priors, beyond the standard Hopfield scenario. Furthermore we show how the paramagnetic phase boundary is directly related to the optimal size of the…
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.…
Revealing hidden features in unlabeled data is called unsupervised feature learning, which plays an important role in pretraining a deep neural network. Here we provide a statistical mechanics analysis of the unsupervised learning in a restricted Boltzmann machine with binary synapses. A message passing equation to infer the hidden feature is derived, and furthermore, variants of this equation are analyzed. A statistical analysis by replica theory describes the thermodynamic properties of the model. Our analysis confirms an entropy crisis preceding the non-convergence of the message passing eq…
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…
In this work, the capability of restricted Boltzmann machines (RBMs) to find solutions for the Kitaev honeycomb model with periodic boundary conditions is investigated. The measured groundstate (GS) energy of the system is compared and, for small lattice sizes (e.g. $3 \times 3$ with $18$ spinors), shown to agree with the analytically derived value of the energy up to a deviation of $0.09\%$. Moreover, the wave-functions we find have $99.89\%$ overlap with the exact ground state wave-functions. Furthermore, the possibility of realizing anyons in the RBM is discussed and an algorithm is given t…
RIKEN Center for Advanced Intelligence Project（日本理化学研究所先进智能项目中心）；Institute for Physics of Intelligence（智能物理研究所）；The University of Tokyo（东京大学）
Restricted Boltzmann machines (RBMs) with low-precision synapses are much appealing with high energy efficiency. However, training RBMs with binary synapses is challenging due to the discrete nature of synapses. Recently Huang proposed one efficient method to train RBMs with binary synapses by using a combination of gradient ascent and the message passing algorithm under the variational inference framework. However, additional heuristic clipping operation is needed. In this technical note, inspired from Huang's work , we propose one alternative optimization method using the Bayesian learning r…
LPENS（巴黎高等师范学院物理实验室）；Ecole Normale Supérieure（巴黎高等师范学院）；PSL Research（PSL研究大学）；Blavatnik School of Computer Science（布拉瓦特尼克计算机科学学院）；Tel Aviv University（特拉维夫大学）
Distributions of data or sensory stimuli often enjoy underlying invariances. How and to what extent those symmetries are captured by unsupervised learning methods is a relevant question in machine learning and in computational neuroscience. We study here, through a combination of numerical and analytical tools, the learning dynamics of Restricted Boltzmann Machines (RBM), a neural network paradigm for representation learning. As learning proceeds from a random configuration of the network weights, we show the existence of, and characterize a symmetry-breaking phenomenon, in which the latent va…
Calculating the spectral function of two dimensional systems is arguably one of the most pressing challenges in modern computational condensed matter physics. While efficient techniques are available in lower dimensions, two dimensional systems present insurmountable hurdles, ranging from the sign problem in quantum Monte Carlo (MC), to the entanglement area law in tensor network based methods. We hereby present a variational approach based on a Chebyshev expansion of the spectral function and a neural network representation for the wave functions. The Chebyshev moments are obtained by recursi…
Hopfield networks (HNs) and Restricted Boltzmann Machines (RBMs) are two important models at the interface of statistical physics, machine learning, and neuroscience. Recently, there has been interest in the relationship between HNs and RBMs, due to their similarity under the statistical mechanics formalism. An exact mapping between HNs and RBMs has been previously noted for the special case of orthogonal (uncorrelated) encoded patterns. We present here an exact mapping in the case of correlated pattern HNs, which are more broadly applicable to existing datasets. Specifically, we show that any…
Training Restricted Boltzmann Machines via the Thouless-Anderson-Palmer Free Energy
Laboratoire de Physique Statistique（统计物理实验室）；CNRS（法国国家科学研究中心）；École Normale Supérieure（巴黎高等师范学院）；PSL Research University（巴黎文理研究大学）；International Centre for Fundamental Physics and its interfaces at Ecole normale supérieure（巴黎高等师范学院基础物理及其交叉学科国际中心）；Sorbonne Universités（索邦大学联盟）；UPMC Univ Paris 06（巴黎第六大学（皮埃尔和玛丽·居里大学））
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…
OWKIN, Inc.（OWKIN公司）；École Normale Supérieure, PSL University（巴黎文理研究大学巴黎高等师范学院）；Snips（Snips公司）；Université Pierre et Marie Curie, Sorbonne Universités（索邦大学皮埃尔与玛丽·居里大学）；LightOn（LightOn公司）
Restricted Boltzmann machines (RBMs) are energy-based neural-networks which are commonly used as the building blocks for deep architectures neural architectures. In this work, we derive a deterministic framework for the training, evaluation, and use of RBMs based upon the Thouless-Anderson-Palmer (TAP) mean-field approximation of widely-connected systems with weak interactions coming from spin-glass theory. While the TAP approach has been extensively studied for fully-visible binary spin systems, our construction is generalized to latent-variable models, as well as to arbitrarily distributed r…
Laboratoire de Recherche en Informatique（计算机研究实验室）；Université Paris-Sud（巴黎南大学）；CNRS（法国国家科学研究中心）；INRIA（法国国家信息与自动化研究所）；Symmantec
In a standard multi-output classification scenario, both features and labels of training data are partially observed. This challenging issue is widely witnessed due to sensor or database failures, crowd-sourcing and noisy communication channels in industrial data analytic services. Classic methods for handling multi-output classification with incomplete supervision information usually decompose the problem into an imputation stage that reconstructs the missing training information, and a learning stage that builds a classifier based on the imputed training set. These methods fail to fully leve…
Università del Salento（萨兰托大学）；Universität Zürich（苏黎世大学）；King’s College London（伦敦国王学院）；Scuola Normale Superiore（高等师范学校）
Restricted Boltzmann Machines are described by the Gibbs measure of a bipartite spin glass, which in turn corresponds to the one of a generalised Hopfield network. This equivalence allows us to characterise the state of these systems in terms of retrieval capabilities, both at low and high load. We study the paramagnetic-spin glass and the spin glass-retrieval phase transitions, as the pattern (i.e. weight) distribution and spin (i.e. unit) priors vary smoothly from Gaussian real variables to Boolean discrete variables. Our analysis shows that the presence of a retrieval phase is robust and no…
Laboratory of Physics of the \'Ecole Normale Sup\'erieure, CNRS UMR 8023 \& PSL Research, Sorbonne Universit\'e, 24 rue Lhomond, 75005 Paris, France
Restricted Boltzmann Machines (RBM) are bi-layer neural networks used for the unsupervised learning of model distributions from data. The bipartite architecture of RBM naturally defines an elegant sampling procedure, called Alternating Gibbs Sampling (AGS), where the configurations of the latent-variable layer are sampled conditional to the data-variable layer, and vice versa. We study here the performance of AGS on several analytically tractable models borrowed from statistical mechanics. We show that standard AGS is not more efficient than classical Metropolis-Hastings (MH) sampling of the e…
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…
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 …
Activation Functions, Statistics and Learning of Higher-Order Interactions in Restricted Boltzmann Machines
Kavli Institute for Systems Neuroscience, Norwegian University of Science and Technology（Kavli系统神经科学研究所，挪威科学技术大学）；Department of Mathematics, King’s College London（伦敦国王学院数学系）
Kavli Institute for Systems Neuroscience and Centre for Neural Computation, Norwegian University of Science and Technology（挪威科技大学 Kavli 系统神经科学研究所与神经计算中心）；SISSA—Cognitive Neuroscience（SISSA 认知神经科学）
We study the type of distributions that Restricted Boltzmann Machines (RBMs) with different activation functions can express by investigating the effect of the activation function of the hidden nodes on the marginal distribution they impose on observed binary nodes. We report an exact expression for these marginals in the form of a model of interacting binary variables with the explicit form of the interactions depending on the hidden node activation function. We study the properties of these interactions in detail and evaluate how the accuracy with which the RBM approximates distributions ove…
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 …
We study either fully visible and restricted Boltzmann machines with sub-Gaussian random weights and spherical or Gaussian priors. We prove the free energies of the spherical and Gaussian models are related by a Legendre transformation. Incidentally our analysis brings also a new purely variational derivation of the free energy of the spherical models.
Unsupervised learning requiring only raw data is not only a fundamental function of the cerebral cortex, but also a foundation for a next generation of artificial neural networks. However, a unified theoretical framework to treat sensory inputs, synapses and neural activity together is still lacking. The computational obstacle originates from the discrete nature of synapses, and complex interactions among these three essential elements of learning. Here, we propose a variational mean-field theory in which the distribution of synaptic weights is considered. The unsupervised learning can then be…
