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arXiv:2508.10228 · Entropy

Comparison of D-Wave Quantum Annealing and Gibbs Monte Carlo for Sampling from a Probability Distribution of a Restricted Boltzmann Machine

Abdelmoula El-Yazizi, Yaroslav Koshka

Published Aug 18, 2026• 0 citations
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Abstract

A local-valley (LV)-centered approach to assessing the quality of sampling from Restricted Boltzmann Machines (RBMs) was applied to the latest generation of the D-Wave quantum annealer. D-Wave and Gibbs samples from a classically trained RBM were obtained at conditions relevant to contrastive-divergence-based RBM learning. The samples were compared for the number of LVs to which they belonged and the energy of the corresponding local minima. No significant (desirable) increase in the number of the LVs has been achieved by decreasing the D-Wave annealing time. At any training epoch, the states sampled by the D-Wave belonged to a somewhat higher number of LVs than in the Gibbs sampling. However, many of those LVs found by the two techniques differed. For high-probability sampled states, the two techniques were (unfavorably) less complementary and more overlapping. Nevertheless, many potentially "important" local minima, i.e., those having intermediate, even if not high, probability values, were found by only one of the two sampling techniques while missed by the other. The two techniques overlapped less at later than earlier training epochs, which is precisely the stage of the training when modest improvements to the sampling quality could make meaningful differences for the RBM trainability. The results of this work may explain the failure of previous investigations to achieve substantial (or any) improvement when using D-Wave-based sampling. However, the results reveal some potential for improvement, e.g., using a combined classical-quantum approach.

DOI
10.3390/e28080925

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A local-valley (LV)-centered approach to assessing the quality of sampling from Restricted Boltzmann Machines (RBMs) was applied to the latest generation of the D-Wave quantum annealer. D-Wave and Gibbs samples from a classically trained RBM were obtained at conditions relevant to contrastive-divergence-based RBM learning. The samples were compared for the number of LVs to which they belonged and the energy of the corresponding local minima. No significant (desirable) increase in the number of the LVs has been achieved by decreasing the D-Wave annealing time. At any training epoch, the states sampled by the D-Wave belonged to a somewhat higher number of LVs than in the Gibbs sampling. However, many of those LVs found by the two techniques differed. For high-probability sampled states, the two techniques were (unfavorably) less complementary and more overlapping. Nevertheless, many potentially "important" local minima, i.e., those having intermediate, even if not high, probability values, were found by only one of the two sampling techniques while missed by the other. The two techniques overlapped less at later than earlier training epochs, which is precisely the stage of the training when modest improvements to the sampling quality could make meaningful differences for the RBM trainability. The results of this work may explain the failure of previous investigations to achieve substantial (or any) improvement when using D-Wave-based sampling. However, the results reveal some potential for improvement, e.g., using a combined classical-quantum approach.
Abstract Modest statistical differences between the sampling performances of the D-Wave quantum annealer (QA) and the classical Markov Chain Monte Carlo (MCMC), when applied to Restricted Boltzmann Machines (RBMs), are explored to explain, and possibly address, the absence of significant and consistent improvements in RBM trainability when the D-Wave sampling was used in previous investigations. A novel hybrid sampling approach, combining the classical and the QA contributions, is investigated as a promising way to benefit from the modest differences between the two sampling methods. No improvements in the RBM training are achieved in this work, thereby suggesting that the differences between the QA-based and MCMC sampling, mainly found in the medium-to-low probability regions of the distribution, which are less important for the quality of the sample, are insufficient to benefit the training. Difficulties in achieving sufficiently high quality of embedding RBMs into the lattice of the newer generation of D-Wave hardware could be further complicating the task. On the other hand, the ability to generate samples of sufficient variety from lower-probability parts of the distribution has a potential to benefit other machine learning applications, such as the mitigation of catastrophic forgetting (CF) during incremental learning. The feasibility of using QA-generated patterns of desirable classes for CF mitigation by the generative replay is demonstrated in this work for the first time. While the efficiency of the CF mitigation using the D-Wave QA was comparable to that of the classical mitigation, both the speed of generating a large number of distinct desirable patterns and the potential for further improvement make this approach promising for a variety of challenging machine learning applications.
A D-Wave quantum annealer (QA) having a 2048 qubit lattice, with no missing qubits and couplings, allowed embedding of a complete graph of a Restricted Boltzmann Machine (RBM). A handwritten digit OptDigits data set having 8x7 pixels of visible units was used to train the RBM using a classical Contrastive Divergence. Embedding of the classically-trained RBM into the D-Wave lattice was used to demonstrate that the QA offers a high-efficiency alternative to the classical Markov Chain Monte Carlo (MCMC) for reconstructing missing labels of the test images as well as a generative model. At any training iteration, the D-Wave-based classification had classification error more than two times lower than MCMC. The main goal of this study was to investigate the quality of the sample from the RBM model distribution and its comparison to a classical MCMC sample. For the OptDigits dataset, the states in the D-Wave sample belonged to about two times more local valleys compared to the MCMC sample. All the lowest-energy (the highest joint probability) local minima in the MCMC sample were also found by the D-Wave. The D-Wave missed many of the higher-energy local valleys, while finding many "new" local valleys consistently missed by the MCMC. It was established that the "new" local valleys that the D-Wave finds are important for the model distribution in terms of the energy of the corresponding local minima, the width of the local valleys, and the height of the escape barrier.
Restricted Boltzmann Machine (RBM) is an energy-based, undirected graphical model. It is commonly used for unsupervised and supervised machine learning. Typically, RBM is trained using contrastive divergence (CD). However, training with CD is slow and does not estimate the exact gradient of the log-likelihood cost function. In this work, the model expectation of gradient learning for RBM has been calculated using a quantum annealer (D-Wave 2000Q), where obtaining samples is faster than Markov chain Monte Carlo (MCMC) used in CD. Training and classification results of RBM trained using quantum annealing are compared with the CD-based method. The performance of the two approaches is compared with respect to the classification accuracies, image reconstruction, and log-likelihood results. The classification accuracy results indicate comparable performances of the two methods. Image reconstruction and log-likelihood results show improved performance of the CD-based method. It is shown that the samples obtained from quantum annealer can be used to train an RBM on a 64-bit “bars and stripes” dataset with classification performance similar to an RBM trained with CD. Though training based on CD showed improved learning performance, training using a quantum annealer could be useful as it eliminates computationally expensive MCMC steps of CD.
Restricted Boltzmann Machines trained with different numbers of iterations were used to provide a large diverse set of energy functions each containing many local valleys (LVs). They were used to confirm the property of the D-Wave quantum annealer (QA) to find potentially important LVs in the energy functions of Markov Random Fields that may be missed by classical searches. Even after a prohibitively long classical search by simulated annealing (SA), as many as 30-50% of the QA-found LVs remained not found by the SA. In order to establish if those LVs represent potentially important regions of the configuration space, they were compared to LVs that were found by both techniques. With respect to most of the important LV parameters, the LVs found only by the QA (missed by SA) were distributed in a wide range of the parameters' values. In an attempt to explain which LVs could not be found easily by the SA, it was established that for large or small, shallow or deep, wide or narrow LVs, the LVs found only by the QA are distinguished by a few-times smaller size of the LV basin of attraction (BoA). Apparently, the size of the BoA is much less important for QA search compared to the classical search, allowing QA to easily find many potentially important (e.g., wide and deep) LVs missed by even prohibitively lengthy classical searches.
The next generation D-Wave quantum computer (QC) having more than 2000 qubits was demonstrated to be adequate for embedding graphs of restricted Boltzmann machines (RBMs) having the connectivity between RBM units (though still limited) already sufficient for successful training by classical algorithms. As a verification of the validity and quality of the employed embedding approach, the RBM was trained by classical contrastive divergence (CD), while the D-Wave was initially used only in the recognition step for reconstruction of incomplete test images (8 × 8 bars-and-stripes), and for their classification. The label classification errors by the D-Wave compared favorably to those obtained by classical Gibbs sampling, indicating that the QC was successfully finding the most energetically favorable combinations of the unknown visible RBM units/labels for the given fixed incomplete input image. The valid RBM embedding was further applied to investigate opportunities for using QCs in the RBM training, and specifically for replacing the classical Gibbs technique in generating a representative sample from the RBM model distribution. Statistical comparison of samples obtained by the Gibbs technique versus 10000 sample states generated from the D-Wave revealed significant differences in the observed outcomes. The D-Wave samples were found insufficiently representative of the model distribution, specifically by missing many local valley found by the Gibbs sampling. On the other hand, the D-Wave possessed an ability to find local valleys of the configuration space that were consistently missed by the classical sampling algorithms, which could potentially be very interesting for sampling applications.
In Deep Learning, a well-known approach for training a Deep Neural Network starts by training a generative Deep Belief Network model, typically using Contrastive Divergence (CD), then fine-tuning the weights using backpropagation or other discriminative techniques. However, the generative training can be time-consuming due to the slow mixing of Gibbs sampling. We investigated an alternative approach that estimates model expectations of Restricted Boltzmann Machines using samples from a D-Wave quantum annealing machine. We tested this method on a coarse-grained version of the MNIST data set. In our tests we found that the quantum sampling-based training approach achieves comparable or better accuracy with significantly fewer iterations of generative training than conventional CD-based training. Further investigation is needed to determine whether similar improvements can be achieved for other data sets, and to what extent these improvements can be attributed to quantum effects.