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The neural network (NN) becomes one of the most heated type of models in various signal processing applications. However, NNs are extremely vulnerable to adversarial examples (AEs). To defend AEs, adversarial training (AT) is believed to be the most effective method while due to the intensive computation, AT is limited to be applied in most applications. In this paper, to resolve the problem, we design a generic and efficient AT improvement scheme, namely case-aware adversarial training (CAT). Specifically, the intuition stems from the fact that a very limited part of informative samples can contribute to most of model performance. Alternatively, if only the most informative AEs are used in AT, we can lower the computation complexity of AT significantly as maintaining the defense effect. To achieve this, CAT achieves two breakthroughs. First, a method to estimate the information degree of adversarial examples is proposed for AE filtering. Second, to further enrich the information that the NN can obtain from AEs, CAT involves a weight estimation and class-level balancing based sampling strategy to increase the diversity of AT at each iteration. Extensive experiments show that CAT is faster than vanilla AT by up to 3x while achieving competitive defense effect.

Adverse events are a serious issue in drug development and many prediction methods using machine learning have been developed. The random split cross-validation is the de facto standard for model building and evaluation in machine learning, but care should be taken in adverse event prediction because this approach tends to be overoptimistic compared with the real-world situation. The time split, which uses the time axis, is considered suitable for real-world prediction. However, the differences in model performance obtained using the time and random splits are not fully understood. To understand the differences, we compared the model performance between the time and random splits using eight types of compound information as input, eight adverse events as targets, and six machine learning algorithms. The random split showed higher area under the curve values than did the time split for six of eight targets. The chemical spaces of the training and test datasets of the time split were similar, suggesting that the concept of applicability domain is insufficient to explain the differences derived from the splitting. The area under the curve differences were smaller for the protein interaction than for the other datasets. Subsequent detailed analyses suggested the danger of confounding in the use of knowledge-based information in the time split. These findings indicate the importance of understanding the differences between the time and random splits in adverse event prediction and suggest that appropriate use of the splitting strategies and interpretation of results are necessary for the real-world prediction of adverse events.

A rising number of botnet families have been successfully detected using deep learning architectures. While the variety of attacks increases, these architectures should become more robust against attacks. They have been proven to be very sensitive to small but well constructed perturbations in the input. Botnet detection requires extremely low false-positive rates (FPR), which are not commonly attainable in contemporary deep learning. Attackers try to increase the FPRs by making poisoned samples. The majority of recent research has focused on the use of model loss functions to build adversarial examples and robust models. In this paper, two LSTM-based classification algorithms for botnet classification with an accuracy higher than 98\% are presented. Then, the adversarial attack is proposed, which reduces the accuracy to about30\%. Then, by examining the methods for computing the uncertainty, the defense method is proposed to increase the accuracy to about 70\%. By using the deep ensemble and stochastic weight averaging quantification methods it has been investigated the uncertainty of the accuracy in the proposed methods.

In this paper, we propose a novel design, called MixNN, for protecting deep learning model structure and parameters. The layers in a deep learning model of MixNN are fully decentralized. It hides communication address, layer parameters and operations, and forward as well as backward message flows among non-adjacent layers using the ideas from mix networks. MixNN has following advantages: 1) an adversary cannot fully control all layers of a model including the structure and parameters, 2) even some layers may collude but they cannot tamper with other honest layers, 3) model privacy is preserved in the training phase. We provide detailed descriptions for deployment. In one classification experiment, we compared a neural network deployed in a virtual machine with the same one using the MixNN design on the AWS EC2. The result shows that our MixNN retains less than 0.001 difference in terms of classification accuracy, while the whole running time of MixNN is about 7.5 times slower than the one running on a single virtual machine.

Bayesian phylogenetic inference is currently done via Markov chain Monte Carlo (MCMC) with simple proposal mechanisms. This hinders exploration efficiency and often requires long runs to deliver accurate posterior estimates. In this paper, we present an alternative approach: a variational framework for Bayesian phylogenetic analysis. We propose combining subsplit Bayesian networks, an expressive graphical model for tree topology distributions, and a structured amortization of the branch lengths over tree topologies for a suitable variational family of distributions. We train the variational approximation via stochastic gradient ascent and adopt gradient estimators for continuous and discrete variational parameters separately to deal with the composite latent space of phylogenetic models. We show that our variational approach provides competitive performance to MCMC, while requiring much less computation due to a more efficient exploration mechanism enabled by variational inference. Experiments on a benchmark of challenging real data Bayesian phylogenetic inference problems demonstrate the effectiveness and efficiency of our methods.

The Model Order Reduction (MOR) technique can provide compact numerical models for fast simulation. Different from the intrusive MOR methods, the non-intrusive MOR does not require access to the Full Order Models (FOMs), especially system matrices. Since the non-intrusive MOR methods strongly rely on the snapshots of the FOMs, constructing good snapshot sets becomes crucial. In this work, we propose a new active learning approach with two novelties. A novel idea with our approach is the use of single-time step snapshots from the system states taken from an estimation of the reduced-state space. These states are selected using a greedy strategy supported by an error estimator based Gaussian Process Regression (GPR). Additionally, we introduce a use case-independent validation strategy based on Probably Approximately Correct (PAC) learning. In this work, we use Artificial Neural Networks (ANNs) to identify the Reduced Order Model (ROM), however the method could be similarly applied to other ROM identification methods. The performance of the whole workflow is tested by a 2-D thermal conduction and a 3-D vacuum furnace model. With little required user interaction and a training strategy independent to a specific use case, the proposed method offers a huge potential for industrial usage to create so-called executable Digital Twins (DTs).

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

As data are increasingly being stored in different silos and societies becoming more aware of data privacy issues, the traditional centralized training of artificial intelligence (AI) models is facing efficiency and privacy challenges. Recently, federated learning (FL) has emerged as an alternative solution and continue to thrive in this new reality. Existing FL protocol design has been shown to be vulnerable to adversaries within or outside of the system, compromising data privacy and system robustness. Besides training powerful global models, it is of paramount importance to design FL systems that have privacy guarantees and are resistant to different types of adversaries. In this paper, we conduct the first comprehensive survey on this topic. Through a concise introduction to the concept of FL, and a unique taxonomy covering: 1) threat models; 2) poisoning attacks and defenses against robustness; 3) inference attacks and defenses against privacy, we provide an accessible review of this important topic. We highlight the intuitions, key techniques as well as fundamental assumptions adopted by various attacks and defenses. Finally, we discuss promising future research directions towards robust and privacy-preserving federated learning.

Recent advances in maximizing mutual information (MI) between the source and target have demonstrated its effectiveness in text generation. However, previous works paid little attention to modeling the backward network of MI (i.e., dependency from the target to the source), which is crucial to the tightness of the variational information maximization lower bound. In this paper, we propose Adversarial Mutual Information (AMI): a text generation framework which is formed as a novel saddle point (min-max) optimization aiming to identify joint interactions between the source and target. Within this framework, the forward and backward networks are able to iteratively promote or demote each other's generated instances by comparing the real and synthetic data distributions. We also develop a latent noise sampling strategy that leverages random variations at the high-level semantic space to enhance the long term dependency in the generation process. Extensive experiments based on different text generation tasks demonstrate that the proposed AMI framework can significantly outperform several strong baselines, and we also show that AMI has potential to lead to a tighter lower bound of maximum mutual information for the variational information maximization problem.

We introduce an effective model to overcome the problem of mode collapse when training Generative Adversarial Networks (GAN). Firstly, we propose a new generator objective that finds it better to tackle mode collapse. And, we apply an independent Autoencoders (AE) to constrain the generator and consider its reconstructed samples as "real" samples to slow down the convergence of discriminator that enables to reduce the gradient vanishing problem and stabilize the model. Secondly, from mappings between latent and data spaces provided by AE, we further regularize AE by the relative distance between the latent and data samples to explicitly prevent the generator falling into mode collapse setting. This idea comes when we find a new way to visualize the mode collapse on MNIST dataset. To the best of our knowledge, our method is the first to propose and apply successfully the relative distance of latent and data samples for stabilizing GAN. Thirdly, our proposed model, namely Generative Adversarial Autoencoder Networks (GAAN), is stable and has suffered from neither gradient vanishing nor mode collapse issues, as empirically demonstrated on synthetic, MNIST, MNIST-1K, CelebA and CIFAR-10 datasets. Experimental results show that our method can approximate well multi-modal distribution and achieve better results than state-of-the-art methods on these benchmark datasets. Our model implementation is published here: //github.com/tntrung/gaan