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Deep Reinforcement Learning (RL) has considerably advanced over the past decade. At the same time, state-of-the-art RL algorithms require a large computational budget in terms of training time to converge. Recent work has started to approach this problem through the lens of quantum computing, which promises theoretical speed-ups for several traditionally hard tasks. In this work, we examine a class of hybrid quantumclassical RL algorithms that we collectively refer to as variational quantum deep Q-networks (VQ-DQN). We show that VQ-DQN approaches are subject to instabilities that cause the learned policy to diverge, study the extent to which this afflicts reproduciblity of established results based on classical simulation, and perform systematic experiments to identify potential explanations for the observed instabilities. Additionally, and in contrast to most existing work on quantum reinforcement learning, we execute RL algorithms on an actual quantum processing unit (an IBM Quantum Device) and investigate differences in behaviour between simulated and physical quantum systems that suffer from implementation deficiencies. Our experiments show that, contrary to opposite claims in the literature, it cannot be conclusively decided if known quantum approaches, even if simulated without physical imperfections, can provide an advantage as compared to classical approaches. Finally, we provide a robust, universal and well-tested implementation of VQ-DQN as a reproducible testbed for future experiments.

Since proposed in the 70s, the Non-Equilibrium Green Function (NEGF) method has been recognized as a standard approach to quantum transport simulations. Although it achieves superiority in simulation accuracy, the tremendous computational cost makes it unbearable for high-throughput simulation tasks such as sensitivity analysis, inverse design, etc. In this work, we propose AD-NEGF, to our best knowledge the first end-to-end differentiable NEGF model for quantum transport simulations. We implement the entire numerical process in PyTorch, and design customized backward pass with implicit layer techniques, which provides gradient information at an affordable cost while guaranteeing the correctness of the forward simulation. The proposed model is validated with applications in calculating differential physical quantities, empirical parameter fitting, and doping optimization, which demonstrates its capacity to accelerate the material design process by conducting gradient-based parameter optimization.

To adopt convolutional neural networks (CNN) for a range of resource-constrained targets, it is necessary to compress the CNN models by performing quantization, whereby precision representation is converted to a lower bit representation. To overcome problems such as sensitivity of the training dataset, high computational requirements, and large time consumption, post-training quantization methods that do not require retraining have been proposed. In addition, to compensate for the accuracy drop without retraining, previous studies on post-training quantization have proposed several complementary methods: calibration, schemes, clipping, granularity, and mixed-precision. To generate a quantized model with minimal error, it is necessary to study all possible combinations of the methods because each of them is complementary and the CNN models have different characteristics. However, an exhaustive or a heuristic search is either too time-consuming or suboptimal. To overcome this challenge, we propose an auto-tuner known as Quantune, which builds a gradient tree boosting model to accelerate the search for the configurations of quantization and reduce the quantization error. We evaluate and compare Quantune with the random, grid, and genetic algorithms. The experimental results show that Quantune reduces the search time for quantization by approximately 36.5x with an accuracy loss of 0.07 ~ 0.65% across six CNN models, including the fragile ones (MobileNet, SqueezeNet, and ShuffleNet). To support multiple targets and adopt continuously evolving quantization works, Quantune is implemented on a full-fledged compiler for deep learning as an open-sourced project.

This note proposes a new factorization algorithm for computing the phase factors of quantum signal processing. The proposed algorithm avoids root finding of high degree polynomials and is numerical stable in the double precision arithmetics. Experimental results are reported for Hamiltonian simulation, eigenstate filtering, matrix inversion, and Fermi-Dirac operator.

The ability to know and verifiably demonstrate the origins of messages can often be as important as encrypting the message itself. Here we present an experimental demonstration of an unconditionally secure digital signature (USS) protocol implemented for the first time, to the best of our knowledge, on a fully connected quantum network without trusted nodes. Our USS protocol is secure against forging, repudiation and messages are transferrable. We show the feasibility of unconditionally secure signatures using only bi-partite entangled states distributed throughout the network and experimentally evaluate the performance of the protocol in real world scenarios with varying message lengths.

Convolutional neural networks (CNN) are the dominant deep neural network (DNN) architecture for computer vision. Recently, Transformer and multi-layer perceptron (MLP)-based models, such as Vision Transformer and MLP-Mixer, started to lead new trends as they showed promising results in the ImageNet classification task. In this paper, we conduct empirical studies on these DNN structures and try to understand their respective pros and cons. To ensure a fair comparison, we first develop a unified framework called SPACH which adopts separate modules for spatial and channel processing. Our experiments under the SPACH framework reveal that all structures can achieve competitive performance at a moderate scale. However, they demonstrate distinctive behaviors when the network size scales up. Based on our findings, we propose two hybrid models using convolution and Transformer modules. The resulting Hybrid-MS-S+ model achieves 83.9% top-1 accuracy with 63M parameters and 12.3G FLOPS. It is already on par with the SOTA models with sophisticated designs. The code and models will be made publicly available.

As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.

Neural Architecture Search (NAS) was first proposed to achieve state-of-the-art performance through the discovery of new architecture patterns, without human intervention. An over-reliance on expert knowledge in the search space design has however led to increased performance (local optima) without significant architectural breakthroughs, thus preventing truly novel solutions from being reached. In this work we 1) are the first to investigate casting NAS as a problem of finding the optimal network generator and 2) we propose a new, hierarchical and graph-based search space capable of representing an extremely large variety of network types, yet only requiring few continuous hyper-parameters. This greatly reduces the dimensionality of the problem, enabling the effective use of Bayesian Optimisation as a search strategy. At the same time, we expand the range of valid architectures, motivating a multi-objective learning approach. We demonstrate the effectiveness of this strategy on six benchmark datasets and show that our search space generates extremely lightweight yet highly competitive models.

Deep Convolutional Neural Networks (CNNs) are a special type of Neural Networks, which have shown state-of-the-art results on various competitive benchmarks. The powerful learning ability of deep CNN is largely achieved with the use of multiple non-linear feature extraction stages that can automatically learn hierarchical representation from the data. Availability of a large amount of data and improvements in the hardware processing units have accelerated the research in CNNs and recently very interesting deep CNN architectures are reported. The recent race in deep CNN architectures for achieving high performance on the challenging benchmarks has shown that the innovative architectural ideas, as well as parameter optimization, can improve the CNN performance on various vision-related tasks. In this regard, different ideas in the CNN design have been explored such as use of different activation and loss functions, parameter optimization, regularization, and restructuring of processing units. However, the major improvement in representational capacity is achieved by the restructuring of the processing units. Especially, the idea of using a block as a structural unit instead of a layer is gaining substantial appreciation. This survey thus focuses on the intrinsic taxonomy present in the recently reported CNN architectures and consequently, classifies the recent innovations in CNN architectures into seven different categories. These seven categories are based on spatial exploitation, depth, multi-path, width, feature map exploitation, channel boosting and attention. Additionally, it covers the elementary understanding of the CNN components and sheds light on the current challenges and applications of CNNs.

Quantum machine learning is expected to be one of the first potential general-purpose applications of near-term quantum devices. A major recent breakthrough in classical machine learning is the notion of generative adversarial training, where the gradients of a discriminator model are used to train a separate generative model. In this work and a companion paper, we extend adversarial training to the quantum domain and show how to construct generative adversarial networks using quantum circuits. Furthermore, we also show how to compute gradients -- a key element in generative adversarial network training -- using another quantum circuit. We give an example of a simple practical circuit ansatz to parametrize quantum machine learning models and perform a simple numerical experiment to demonstrate that quantum generative adversarial networks can be trained successfully.