Recent studies have shown that adversarial examples in stateof-the-art image classifiers trained by deep neural networks (DNN) can be easily generated when the target model is transparent to an attacker, known as the white-box setting. However, when attacking a deployed machine learning service, one can only acquire the input-output correspondences of the target model; this is the so-called black-box attack setting. The major drawback of existing black-box attacks is the need for excessive model queries, which may give a false sense of model robustness due to inefficient query designs. To bridge this gap, we propose a generic framework for query-efficient blackbox attacks. Our framework, AutoZOOM, which is short for Autoencoder-based Zeroth Order Optimization Method, has two novel building blocks towards efficient black-box attacks: (i) an adaptive random gradient estimation strategy to balance query counts and distortion, and (ii) an autoencoder that is either trained offline with unlabeled data or a bilinear resizing operation for attack acceleration. Experimental results suggest that, by applying AutoZOOM to a state-of-the-art black-box attack (ZOO), a significant reduction in model queries can be achieved without sacrificing the attack success rate and the visual quality of the resulting adversarial examples. In particular, when compared to the standard ZOO method, AutoZOOM can consistently reduce the mean query counts in finding successful adversarial examples (or reaching the same distortion level) by at least 93% on MNIST, CIFAR-10 and ImageNet datasets, leading to novel insights on adversarial robustness.

The prediction accuracy has been the long-lasting and sole standard for comparing the performance of different image classification models, including the ImageNet competition. However, recent studies have highlighted the lack of robustness in well-trained deep neural networks to adversarial examples. Visually imperceptible perturbations to natural images can easily be crafted and mislead the image classifiers towards misclassification. To demystify the trade-offs between robustness and accuracy, in this paper we thoroughly benchmark 18 ImageNet models using multiple robustness metrics, including the distortion, success rate and transferability of adversarial examples between 306 pairs of models. Our extensive experimental results reveal several new insights:(1) linear scaling law -the empirical 2 and ∞ distortion metrics scale linearly with the logarithm of classification error; (2) model architecture is a more critical factor to robustness than model size, and the disclosed accuracy-robustness Pareto frontier can be used as an evaluation criterion for ImageNet model designers; (3) for a similar network architecture, increasing network depth slightly improves robustness in ∞ distortion; (4) there exist models (in VGG family) that exhibit high adversarial transferability, while most adversarial examples crafted from one model can only be transferred within the same family. Experiment code is publicly available at https://github.com/huanzhang12/Adversarial Survey.where f (x, t) is a loss function to measure the distance between the prediction of x and the target label t. In this work, we choose f (x, t) = max{max i =t [(Logit(x)) i − (Logit(x)) t ], −κ}

The de novo design of antimicrobial therapeutics involves the exploration of a vast chemical repertoire to find compounds with broad-spectrum potency and low toxicity. Here, we report an efficient computational method for the generation of antimicrobials with desired attributes. The method leverages guidance from classifiers trained on an informative latent space of molecules modelled using a deep generative autoencoder, and screens the generated molecules using deep-learning classifiers as well as physicochemical features derived from high-throughput molecular dynamics simulations. Within 48 days, we identified, synthesized and experimentally tested 20 candidate antimicrobial peptides, of which two displayed high potency against diverse Gram-positive and Gram-negative pathogens (including multidrug-resistant Klebsiella pneumoniae) and a low propensity to induce drug resistance in Escherichia coli. Both peptides have low toxicity, as validated in vitro and in mice. We also show using live-cell confocal imaging that the bactericidal mode of action of the peptides involves the formation of membrane pores. The combination of deep learning and molecular dynamics may accelerate the discovery of potent and selective broad-spectrum antimicrobials.

Graph neural networks (GNNs) which apply the deep neural networks to graph data have achieved significant performance for the task of semisupervised node classification. However, only few work has addressed the adversarial robustness of GNNs. In this paper, we first present a novel gradient-based attack method that facilitates the difficulty of tackling discrete graph data. When comparing to current adversarial attacks on GNNs, the results show that by only perturbing a small number of edge perturbations, including addition and deletion, our optimization-based attack can lead to a noticeable decrease in classification performance. Moreover, leveraging our gradientbased attack, we propose the first optimizationbased adversarial training for GNNs. Our method yields higher robustness against both different gradient based and greedy attack methods without sacrificing classification accuracy on original graph. Code is available at https://github.com/ KaidiXu/GCN_ADV_Train.

The state-of-the-art machine learning approaches are based on classical von Neumann computing architectures and have been widely used in many industrial and academic domains. With the recent development of quantum computing, researchers and tech-giants have attempted new quantum circuits for machine learning tasks. However, the existing quantum computing platforms are hard to simulate classical deep learning models or problems because of the intractability of deep quantum circuits. Thus, it is necessary to design feasible quantum algorithms for quantum machine learning for noisy intermediate scale quantum (NISQ) devices. This work explores variational quantum circuits for deep reinforcement learning. Specifically, we reshape classical deep reinforcement learning algorithms like experience replay and target network into a representation of variational quantum circuits. Moreover, we use a quantum information encoding scheme to reduce the number of model parameters compared to classical neural networks. To the best of our knowledge, this work is the first proof-of-principle demonstration of variational quantum circuits to approximate the deep Q-value function for decision-making and policy-selection reinforcement learning with experience replay and target network. Besides, our variational quantum circuits can be deployed in many near-term NISQ machines.