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Estimation of effective temperatures in quantum annealers for sampling applications: A case study towards deep learning

Marcello Benedetti, John Realpe-Gómez, Rupak Biswas, Alejandro Perdomo‐Ortiz

Published Oct 26, 2015• 1 citation
OpenAlex

Abstract

An increase in the efficiency of sampling from Boltzmann distributions would have a significant impact on deep learning and other machine-learning applications. Recently, quantum annealers have been proposed as a potential candidate to speed up this task, but several limitations still bar these state-of-the-art technologies from being used effectively. One of the main limitations is that, while the device may indeed sample from a Boltzmann-like distribution, quantum dynamical arguments suggest it will do so with an {\it instance-dependent} effective temperature, different from its physical temperature. Unless this unknown temperature can be unveiled, it might not be possible to effectively use a quantum annealer for Boltzmann sampling. In this work, we propose a strategy to overcome this challenge with a simple effective-temperature estimation algorithm. We provide a systematic study assessing the impact of the effective temperatures in the learning of a special class of a restricted Boltzmann machine embedded on quantum hardware, which can serve as a building block for deep-learning architectures. We also provide a comparison to $k$-step contrastive divergence (CD-$k$) with $k$ up to 100. Although assuming a suitable fixed effective temperature also allows us to outperform one step contrastive divergence (CD-1), only when using an instance-dependent effective temperature do we find a performance close to that of CD-100 for the case studied here.

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An increase in the efficiency of sampling from Boltzmann distributions would have a significant impact on deep learning and other machine-learning applications. Recently, quantum annealers have been proposed as a potential candidate to speed up this task, but several limitations still bar these state-of-the-art technologies from being used effectively. One of the main limitations is that, while the device may indeed sample from a Boltzmann-like distribution, quantum dynamical arguments suggest it will do so with an {\it instance-dependent} effective temperature, different from its physical temperature. Unless this unknown temperature can be unveiled, it might not be possible to effectively use a quantum annealer for Boltzmann sampling. In this work, we propose a strategy to overcome this challenge with a simple effective-temperature estimation algorithm. We provide a systematic study assessing the impact of the effective temperatures in the learning of a special class of a restricted Boltzmann machine embedded on quantum hardware, which can serve as a building block for deep-learning architectures. We also provide a comparison to kkk-step contrastive divergence (CD-kkk) with kkk up to 100. Although assuming a suitable fixed effective temperature also allows us to outperform one step contrastive divergence (CD-1), only when using an instance-dependent effective temperature do we find a performance close to that of CD-100 for the case studied here.
An increase in the efficiency of sampling from Boltzmann distributions would have a significant impact on deep learning and other machine-learning applications. Recently, quantum annealers have been proposed as a potential candidate to speed up this task, but several limitations still bar these state-of-the-art technologies from being used effectively. One of the main limitations is that, while the device may indeed sample from a Boltzmann-like distribution, quantum dynamical arguments suggest it will do so with an instance-dependent effective temperature, different from its physical temperature. Unless this unknown temperature can be unveiled, it might not be possible to effectively use a quantum annealer for Boltzmann sampling. In this work, we propose a strategy to overcome this challenge with a simple effective-temperature estimation algorithm. We provide a systematic study assessing the impact of the effective temperatures in the learning of a special class of a restricted Boltzmann machine embedded on quantum hardware, which can serve as a building block for deep-learning architectures. We also provide a comparison to kkk-step contrastive divergence (CD-kkk) with kkk up to 100. Although assuming a suitable fixed effective temperature also allows us to outperform one-step contrastive divergence (CD-1), only when using an instance-dependent effective temperature do we find a performance close to that of CD-100 for the case studied here.
An increase in the efficiency of sampling from Boltzmann distributions would have a significant impact in deep learning and other machine learning applications. Recently, quantum annealers have been proposed as a potential candidate to speed up this task, but several limitations still bar these state-of-the-art technologies from being used effectively. One of the main limitations is that, while the device may indeed sample from a Boltzmann-like distribution, quantum dynamical arguments suggests it will do so with an instance-dependent effective temperature, different from the physical temperature of the device. Unless this unknown temperature can be unveiled, it might not be possible to effectively use a quantum annealer for Boltzmann sampling. In this talk, we present a strategy to overcome this challenge with a simple effective-temperature estimation algorithm. We provide a systematic study assessing the impact of the effective temperatures in the learning of a kind of restricted Boltzmann machine embedded on quantum hardware, which can serve as a building block for deep learning architectures. We also provide a comparison to k-step contrastive divergence (CD-k) with k up to 100. Although assuming a suitable fixed effective temperature also allows to outperform one step contrastive divergence (CD-1), only when using an instance-dependent effective temperature we find a performance close to that of CD-100 for the case studied here. We discuss generalizations of the algorithm to other more expressive generative models, beyond restricted Boltzmann machines.
Abstract Boltzmann machines, a class of machine learning models, are the basis of several deep learning methods that have been successfully applied to both supervised and unsupervised machine learning tasks. These models assume that some given dataset is generated according to a Boltzmann distribution, and the goal of the training procedure is to learn the set of parameters that most closely match the input data distribution. Training such models is difficult due to the intractability of traditional sampling techniques, and proposals using quantum annealers for sampling hope to mitigate the cost associated with sampling. However, real physical devices will inevitably be coupled to the environment, and the strength of this coupling affects the effective temperature of the distributions from which a quantum annealer samples. To counteract this problem, error correction schemes that can effectively reduce the temperature are needed if there is to be some benefit in using quantum annealing for problems at a larger scale, where we might expect the effective temperature of the device to be too high. To this end, we have applied nested quantum annealing correction (NQAC) to do unsupervised learning with a small bars and stripes dataset, and to do supervised learning with a coarse-grained MNIST dataset, which consists of black-and-white images of hand-written integers. For both datasets we demonstrate improved training and a concomitant effective temperature reduction at higher noise levels relative to the unencoded case. We also find better performance overall with longer anneal times and offer an interpretation of the results based on a comparison to simulated quantum annealing and spin vector Monte Carlo. A counterintuitive aspect of our results is that the output distribution generally becomes less Gibbs-like with increasing nesting level and increasing anneal times, which shows that improved training performance can be achieved without equilibration to the target Gibbs distribution.
Quantum-assisted sampling is a promising technique to enable training probabilistic ML models, which otherwise depend on slow-mixing classical sampling methods; such as, the use of Quantum Annealing Processors (QAP) to train Boltzmann Machines (BMs). Previous work has shown that QAPs can sample from a Boltzmann distribution, although, at an unknown instance-dependent temperature. Due to this distribution divergence, existing training algorithms have resorted to negative-phase temperature scaling. This method, although effective under arduous tuning, introduces unwanted noise to the sampleset due to the quantization errors caused by the underutilization of the QAP bias ranges; and is prone to bias overflow. We introduce a change in the training algorithm to allow positive-phase temperature scaling; an approach that reduces the impact of quantization noise, while still incorporating temperature scaling. As a result, we see an overall improvement in the convergence rate and testing accuracy, when compared to the state-of-the-art approach.
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.
We propose a scheme to calibrate the internal parameters of a quantum annealer to obtain well-approximated samples for training a restricted Boltzmann machine (RBM). Empirically, samples from quantum annealers obey the Boltzmann distribution, making them suitable for RBM training. Quantum annealers utilize physical phenomena to generate a large number of samples in a short time. However, hardware imperfections make it challenging to obtain accurate samples. Existing research often estimates the inverse temperature for the compensation. Our scheme efficiently utilizes samples for RBM training also to estimate internal parameters. Furthermore, we consider additional parameters and demonstrate that they improve sample quality. We evaluate our approach by comparing the obtained samples with classical Gibbs sampling, which theoretically generates accurate samples. Our results indicate that our scheme demonstrates performance on par with Gibbs sampling. In addition, the training results with our estimation scheme outperform those of the contrastive divergence algorithm, a standard training algorithm for RBM.