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Additive Noise Models (ANM) encode a popular functional assumption that enables learning causal structure from observational data. Due to a lack of real-world data meeting the assumptions, synthetic ANM data are often used to evaluate causal discovery algorithms. Reisach et al. (2021) show that, for common simulation parameters, a variable ordering by increasing variance is closely aligned with a causal order and introduce var-sortability to quantify the alignment. Here, we show that not only variance, but also the fraction of a variable's variance explained by all others, as captured by the coefficient of determination $R^2$, tends to increase along the causal order. Simple baseline algorithms can use $R^2$-sortability to match the performance of established methods. Since $R^2$-sortability is invariant under data rescaling, these algorithms perform equally well on standardized or rescaled data, addressing a key limitation of algorithms exploiting var-sortability. We characterize and empirically assess $R^2$-sortability for different simulation parameters. We show that all simulation parameters can affect $R^2$-sortability and must be chosen deliberately to control the difficulty of the causal discovery task and the real-world plausibility of the simulated data. We provide an implementation of the sortability measures and sortability-based algorithms in our library CausalDisco (//github.com/CausalDisco/CausalDisco).

Modern Building Automation Systems (BASs), as the brain that enables the smartness of a smart building, often require increased connectivity both among system components as well as with outside entities, such as optimized automation via outsourced cloud analytics and increased building-grid integrations. However, increased connectivity and accessibility come with increased cyber security threats. BASs were historically developed as closed environments with limited cyber-security considerations. As a result, BASs in many buildings are vulnerable to cyber-attacks that may cause adverse consequences, such as occupant discomfort, excessive energy usage, and unexpected equipment downtime. Therefore, there is a strong need to advance the state-of-the-art in cyber-physical security for BASs and provide practical solutions for attack mitigation in buildings. However, an inclusive and systematic review of BAS vulnerabilities, potential cyber-attacks with impact assessment, detection & defense approaches, and cyber-secure resilient control strategies is currently lacking in the literature. This review paper fills the gap by providing a comprehensive up-to-date review of cyber-physical security for BASs at three levels in commercial buildings: management level, automation level, and field level. The general BASs vulnerabilities and protocol-specific vulnerabilities for the four dominant BAS protocols are reviewed, followed by a discussion on four attack targets and seven potential attack scenarios. The impact of cyber-attacks on BASs is summarized as signal corruption, signal delaying, and signal blocking. The typical cyber-attack detection and defense approaches are identified at the three levels. Cyber-secure resilient control strategies for BASs under attack are categorized into passive and active resilient control schemes. Open challenges and future opportunities are finally discussed.

Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.

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.

Transformers have achieved superior performances in many tasks in natural language processing and computer vision, which also intrigues great interests in the time series community. Among multiple advantages of transformers, the ability to capture long-range dependencies and interactions is especially attractive for time series modeling, leading to exciting progress in various time series applications. In this paper, we systematically review transformer schemes for time series modeling by highlighting their strengths as well as limitations through a new taxonomy to summarize existing time series transformers in two perspectives. From the perspective of network modifications, we summarize the adaptations of module level and architecture level of the time series transformers. From the perspective of applications, we categorize time series transformers based on common tasks including forecasting, anomaly detection, and classification. Empirically, we perform robust analysis, model size analysis, and seasonal-trend decomposition analysis to study how Transformers perform in time series. Finally, we discuss and suggest future directions to provide useful research guidance. To the best of our knowledge, this paper is the first work to comprehensively and systematically summarize the recent advances of Transformers for modeling time series data. We hope this survey will ignite further research interests in time series Transformers.

Deep Learning (DL) is the most widely used tool in the contemporary field of computer vision. Its ability to accurately solve complex problems is employed in vision research to learn deep neural models for a variety of tasks, including security critical applications. However, it is now known that DL is vulnerable to adversarial attacks that can manipulate its predictions by introducing visually imperceptible perturbations in images and videos. Since the discovery of this phenomenon in 2013~[1], it has attracted significant attention of researchers from multiple sub-fields of machine intelligence. In [2], we reviewed the contributions made by the computer vision community in adversarial attacks on deep learning (and their defenses) until the advent of year 2018. Many of those contributions have inspired new directions in this area, which has matured significantly since witnessing the first generation methods. Hence, as a legacy sequel of [2], this literature review focuses on the advances in this area since 2018. To ensure authenticity, we mainly consider peer-reviewed contributions published in the prestigious sources of computer vision and machine learning research. Besides a comprehensive literature review, the article also provides concise definitions of technical terminologies for non-experts in this domain. Finally, this article discusses challenges and future outlook of this direction based on the literature reviewed herein and [2].

Deep Learning algorithms have achieved the state-of-the-art performance for Image Classification and have been used even in security-critical applications, such as biometric recognition systems and self-driving cars. However, recent works have shown those algorithms, which can even surpass the human capabilities, are vulnerable to adversarial examples. In Computer Vision, adversarial examples are images containing subtle perturbations generated by malicious optimization algorithms in order to fool classifiers. As an attempt to mitigate these vulnerabilities, numerous countermeasures have been constantly proposed in literature. Nevertheless, devising an efficient defense mechanism has proven to be a difficult task, since many approaches have already shown to be ineffective to adaptive attackers. Thus, this self-containing paper aims to provide all readerships with a review of the latest research progress on Adversarial Machine Learning in Image Classification, however with a defender's perspective. Here, novel taxonomies for categorizing adversarial attacks and defenses are introduced and discussions about the existence of adversarial examples are provided. Further, in contrast to exisiting surveys, it is also given relevant guidance that should be taken into consideration by researchers when devising and evaluating defenses. Finally, based on the reviewed literature, it is discussed some promising paths for future research.

Deep learning models on graphs have achieved remarkable performance in various graph analysis tasks, e.g., node classification, link prediction and graph clustering. However, they expose uncertainty and unreliability against the well-designed inputs, i.e., adversarial examples. Accordingly, various studies have emerged for both attack and defense addressed in different graph analysis tasks, leading to the arms race in graph adversarial learning. For instance, the attacker has poisoning and evasion attack, and the defense group correspondingly has preprocessing- and adversarial- based methods. Despite the booming works, there still lacks a unified problem definition and a comprehensive review. To bridge this gap, we investigate and summarize the existing works on graph adversarial learning tasks systemically. Specifically, we survey and unify the existing works w.r.t. attack and defense in graph analysis tasks, and give proper definitions and taxonomies at the same time. Besides, we emphasize the importance of related evaluation metrics, and investigate and summarize them comprehensively. Hopefully, our works can serve as a reference for the relevant researchers, thus providing assistance for their studies. More details of our works are available at //github.com/gitgiter/Graph-Adversarial-Learning.

Generative adversarial networks (GANs) are a hot research topic recently. GANs have been widely studied since 2014, and a large number of algorithms have been proposed. However, there is few comprehensive study explaining the connections among different GANs variants, and how they have evolved. In this paper, we attempt to provide a review on various GANs methods from the perspectives of algorithms, theory, and applications. Firstly, the motivations, mathematical representations, and structure of most GANs algorithms are introduced in details. Furthermore, GANs have been combined with other machine learning algorithms for specific applications, such as semi-supervised learning, transfer learning, and reinforcement learning. This paper compares the commonalities and differences of these GANs methods. Secondly, theoretical issues related to GANs are investigated. Thirdly, typical applications of GANs in image processing and computer vision, natural language processing, music, speech and audio, medical field, and data science are illustrated. Finally, the future open research problems for GANs are pointed out.

We propose a new method for event extraction (EE) task based on an imitation learning framework, specifically, inverse reinforcement learning (IRL) via generative adversarial network (GAN). The GAN estimates proper rewards according to the difference between the actions committed by the expert (or ground truth) and the agent among complicated states in the environment. EE task benefits from these dynamic rewards because instances and labels yield to various extents of difficulty and the gains are expected to be diverse -- e.g., an ambiguous but correctly detected trigger or argument should receive high gains -- while the traditional RL models usually neglect such differences and pay equal attention on all instances. Moreover, our experiments also demonstrate that the proposed framework outperforms state-of-the-art methods, without explicit feature engineering.