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Rapidly developing machine learning methods has stimulated research interest in computationally reconstructing differential equations (DEs) from observational data which may provide additional insight into underlying causative mechanisms. In this paper, we propose a novel neural-ODE based method that uses spectral expansions in space to learn spatiotemporal DEs. The major advantage of our spectral neural DE learning approach is that it does not rely on spatial discretization, thus allowing the target spatiotemporal equations to contain long range, nonlocal spatial interactions that act on unbounded spatial domains. Our spectral approach is shown to be as accurate as some of the latest machine learning approaches for learning PDEs operating on bounded domains. By developing a spectral framework for learning both PDEs and integro-differential equations, we extend machine learning methods to apply to unbounded DEs and a larger class of problems.

Recently, several approaches have attempted to combine motion generation and control in one loop to equip robots with reactive behaviors, that cannot be achieved with traditional time-indexed tracking controllers. These approaches however mainly focused on positions, neglecting the orientation part which can be crucial to many tasks e.g. screwing. In this work, we propose a control algorithm that adapts the robot's rotational motion and impedance in a closed-loop manner. Given a first-order Dynamical System representing an orientation motion plan and a desired rotational stiffness profile, our approach enables the robot to follow the reference motion with an interactive behavior specified by the desired stiffness, while always being aware of the current orientation, represented as a Unit Quaternion (UQ). We rely on the Lie algebra to formulate our algorithm, since unlike positions, UQ feature constraints that should be respected in the devised controller. We validate our proposed approach in multiple robot experiments, showcasing the ability of our controller to follow complex orientation profiles, react safely to perturbations, and fulfill physical interaction tasks.

Scientific research is increasingly reliant on computational methods, posing challenges for ensuring research reproducibility. This study focuses on the field of artificial intelligence (AI) and introduces a new framework for evaluating AI platforms for reproducibility from a cyber security standpoint to address the security challenges associated with AI research. Using this framework, five popular AI reproducibility platforms; Floydhub, BEAT, Codalab, Kaggle, and OpenML were assessed. The analysis revealed that none of these platforms fully incorporates the necessary cyber security measures essential for robust reproducibility. Kaggle and Codalab, however, performed better in terms of implementing cyber security measures covering aspects like security, privacy, usability, and trust. Consequently, the study provides tailored recommendations for different user scenarios, including individual researchers, small laboratories, and large corporations. It emphasizes the importance of integrating specific cyber security features into AI platforms to address the challenges associated with AI reproducibility, ultimately advancing reproducibility in this field. Moreover, the proposed framework can be applied beyond AI platforms, serving as a versatile tool for evaluating a wide range of systems and applications from a cyber security perspective.

Advances in neural speech synthesis have brought us technology that is not only close to human naturalness, but is also capable of instant voice cloning with little data, and is highly accessible with pre-trained models available. Naturally, the potential flood of generated content raises the need for synthetic speech detection and watermarking. Recently, considerable research effort in synthetic speech detection has been related to the Automatic Speaker Verification and Spoofing Countermeasure Challenge (ASVspoof), which focuses on passive countermeasures. This paper takes a complementary view to generated speech detection: a synthesis system should make an active effort to watermark the generated speech in a way that aids detection by another machine, but remains transparent to a human listener. We propose a collaborative training scheme for synthetic speech watermarking and show that a HiFi-GAN neural vocoder collaborating with the ASVspoof 2021 baseline countermeasure models consistently improves detection performance over conventional classifier training. Furthermore, we demonstrate how collaborative training can be paired with augmentation strategies for added robustness against noise and time-stretching. Finally, listening tests demonstrate that collaborative training has little adverse effect on perceptual quality of vocoded speech.

When researching robot swarms, many studies observe complex group behavior emerging from the individual agents' simple local actions. However, the task of learning an individual policy to produce a desired emergent behavior remains a challenging and largely unsolved problem. We present a method of training distributed robotic swarm algorithms to produce emergent behavior. Inspired by the biological evolution of emergent behavior in animals, we use an evolutionary algorithm to train a 'population' of individual behaviors to approximate a desired group behavior. We perform experiments using simulations of the Georgia Tech Miniature Autonomous Blimps (GT-MABs) aerial robotics platforms conducted in the CoppeliaSim simulator. Additionally, we test on simulations of Anki Vector robots to display our algorithm's effectiveness on various modes of actuation. We evaluate our algorithm on various tasks where a somewhat complex group behavior is required for success. These tasks include an Area Coverage task, a Surround Target task, and a Wall Climb task. We compare behaviors evolved using our algorithm against 'designed policies', which we create in order to exhibit the emergent behaviors we desire.

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.

Causality can be described in terms of a structural causal model (SCM) that carries information on the variables of interest and their mechanistic relations. For most processes of interest the underlying SCM will only be partially observable, thus causal inference tries to leverage any exposed information. Graph neural networks (GNN) as universal approximators on structured input pose a viable candidate for causal learning, suggesting a tighter integration with SCM. To this effect we present a theoretical analysis from first principles that establishes a novel connection between GNN and SCM while providing an extended view on general neural-causal models. We then establish a new model class for GNN-based causal inference that is necessary and sufficient for causal effect identification. Our empirical illustration on simulations and standard benchmarks validate our theoretical proofs.

It is important to detect anomalous inputs when deploying machine learning systems. The use of larger and more complex inputs in deep learning magnifies the difficulty of distinguishing between anomalous and in-distribution examples. At the same time, diverse image and text data are available in enormous quantities. We propose leveraging these data to improve deep anomaly detection by training anomaly detectors against an auxiliary dataset of outliers, an approach we call Outlier Exposure (OE). This enables anomaly detectors to generalize and detect unseen anomalies. In extensive experiments on natural language processing and small- and large-scale vision tasks, we find that Outlier Exposure significantly improves detection performance. We also observe that cutting-edge generative models trained on CIFAR-10 may assign higher likelihoods to SVHN images than to CIFAR-10 images; we use OE to mitigate this issue. We also analyze the flexibility and robustness of Outlier Exposure, and identify characteristics of the auxiliary dataset that improve performance.

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.

Deep neural networks (DNNs) have been found to be vulnerable to adversarial examples resulting from adding small-magnitude perturbations to inputs. Such adversarial examples can mislead DNNs to produce adversary-selected results. Different attack strategies have been proposed to generate adversarial examples, but how to produce them with high perceptual quality and more efficiently requires more research efforts. In this paper, we propose AdvGAN to generate adversarial examples with generative adversarial networks (GANs), which can learn and approximate the distribution of original instances. For AdvGAN, once the generator is trained, it can generate adversarial perturbations efficiently for any instance, so as to potentially accelerate adversarial training as defenses. We apply AdvGAN in both semi-whitebox and black-box attack settings. In semi-whitebox attacks, there is no need to access the original target model after the generator is trained, in contrast to traditional white-box attacks. In black-box attacks, we dynamically train a distilled model for the black-box model and optimize the generator accordingly. Adversarial examples generated by AdvGAN on different target models have high attack success rate under state-of-the-art defenses compared to other attacks. Our attack has placed the first with 92.76% accuracy on a public MNIST black-box attack challenge.