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Neural Predictor based Quantum Architecture Search

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 Added by Hong Yao
 Publication date 2021
  fields Physics
and research's language is English




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Variational quantum algorithms (VQAs) are widely speculated to deliver quantum advantages for practical problems under the quantum-classical hybrid computational paradigm in the near term. Both theoretical and practical developments of VQAs share many similarities with those of deep learning. For instance, a key component of VQAs is the design of task-dependent parameterized quantum circuits (PQCs) as in the case of designing a good neural architecture in deep learning. Partly inspired by the recent success of AutoML and neural architecture search (NAS), quantum architecture search (QAS) is a collection of methods devised to engineer an optimal task-specific PQC. It has been proven that QAS-designed VQAs can outperform expert-crafted VQAs under various scenarios. In this work, we propose to use a neural network based predictor as the evaluation policy for QAS. We demonstrate a neural predictor guided QAS can discover powerful PQCs, yielding state-of-the-art results for various examples from quantum simulation and quantum machine learning. Notably, neural predictor guided QAS provides a better solution than that by the random-search baseline while using an order of magnitude less of circuit evaluations. Moreover, the predictor for QAS as well as the optimal ansatz found by QAS can both be transferred and generalized to address similar problems.

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The rise of machine learning technology inspires a boom of its applications in electronic design automation (EDA) and helps improve the degree of automation in chip designs. However, manually crafted machine learning models require extensive human expertise and tremendous engineering efforts. In this work, we leverage neural architecture search (NAS) to automatically develop high-quality neural architectures for routability prediction, which guides cell placement toward routable solutions. Experimental results demonstrate that the automatically generated neural architectures clearly outperform the manual solutions. Compared to the average case of manually designed models, NAS-generated models achieve $5.6%$ higher Kendalls $tau$ in predicting the number of nets with DRC violations and $1.95%$ larger area under ROC curve (ROC-AUC) in DRC hotspots detection.
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Predictor-based algorithms have achieved remarkable performance in the Neural Architecture Search (NAS) tasks. However, these methods suffer from high computation costs, as training the performance predictor usually requires training and evaluating hundreds of architectures from scratch. Previous works along this line mainly focus on reducing the number of architectures required to fit the predictor. In this work, we tackle this challenge from a different perspective - improve search efficiency by cutting down the computation budget of architecture training. We propose NOn-uniform Successive Halving (NOSH), a hierarchical scheduling algorithm that terminates the training of underperforming architectures early to avoid wasting budget. To effectively leverage the non-uniform supervision signals produced by NOSH, we formulate predictor-based architecture search as learning to rank with pairwise comparisons. The resulting method - RANK-NOSH, reduces the search budget by ~5x while achieving competitive or even better performance than previous state-of-the-art predictor-based methods on various spaces and datasets.
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