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International Conference for High Performance Computing, Networking, Storage and Analysis (SC)

Positive-Phase Temperature Scaling for Quantum-Assisted Boltzmann Machine Training

Jose P. Pinilla, Steven J. E. Wilton

Published Nov 1, 2022• 2 citations
Publisher

Abstract

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.

DOI
10.1109/sc41404.2022.00073

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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.
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.
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.
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.
Energy-based generative models, such as restricted Boltzmann machines (RBMs), require unbiased Boltzmann samples for effective training. Classical Markov chain Monte Carlo methods, however, converge slowly and yield correlated samples, making large-scale training difficult. We address this bottleneck by applying the analytic relation between annealing schedules and effective inverse temperature in diabatic quantum annealing. By implementing this prescription on a quantum annealer, we obtain temperature-controlled Boltzmann samples that enable RBM training with faster convergence and lower validation error than classical sampling. We further identify a systematic temperature misalignment intrinsic to analog quantum computers and propose an analytical rescaling method that mitigates this hardware noise, thereby enhancing the practicality of quantum annealers as Boltzmann samplers. In our method, the model's connectivity is set directly by the qubit connectivity, transforming the computational complexity inherent in classical sampling into a requirement on quantum hardware. This shift allows the approach to extend naturally from RBMs to fully connected Boltzmann machines, opening opportunities inaccessible to classical training methods.
This paper describes the components and configurations available in a new quantum-assisted machine learning (QAML) framework. QAML is an open source package that provides a new and flexible test-bed for algorithms to train and evaluate Boltzmann machines (BMs) using quantum annealers. Quantum annealing processors enable the training capabilities for both restricted (RBM) and general Boltzmann machines (BM). These methods rely on the fidelity of samples from those devices, which approximate the characteristic Boltzmann distribution of the BM models. The models and optimization functions are built on top of the PyTorch and D-Wave Ocean libraries. The goal of this paper is to introduce developers and researchers to a familiar, yet flexible, software development framework, to explore the use of quantum computing in machine learning applications. The framework is open-source and has been made publicly available.