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Operating system kernels employ virtual memory management (VMM) subsystems to virtualize the addresses of memory regions in order to to isolate untrusted processes, ensure process isolation and implement demand-paging and copy-on-write behaviors for performance and resource controls. Bugs in these systems can lead to kernel crashes. VMM code is a critical piece of general-purpose OS kernels, but their verification is challenging due to the hardware interface (mappings are updated via writes to memory locations, using addresses which are themselves virtualized). Prior work on VMM verification has either only handled a single address space, trusted significant pieces of assembly code, or resorted to direct reasoning over machine semantics rather than exposing a clean logical interface. In this paper, we introduce a modal abstraction to describe the truth of assertions relative to a specific virtual address space, allowing different address spaces to refer to each other, and enabling verification of instruction sequences manipulating multiple address spaces. Using them effectively requires working with other assertions, such as points-to assertions in our separation logic, as relative to a given address space. We therefore define virtual points-to assertions, which mimic hardware address translation, relative to a page table root. We demonstrate our approach with challenging fragments of VMM code showing that our approach handles examples beyond what prior work can address, including reasoning about a sequence of instructions as it changes address spaces. All definitions and theorems mentioned in this paper including the operational model of a RISC-like fragment of supervisor-mode x86-64, and a logic as an instantiation of the Iris framework, are mechanized inside Coq.

We explore the equivalence between neural networks and kernel methods by deriving the first exact representation of any finite-size parametric classification model trained with gradient descent as a kernel machine. We compare our exact representation to the well-known Neural Tangent Kernel (NTK) and discuss approximation error relative to the NTK and other non-exact path kernel formulations. We experimentally demonstrate that the kernel can be computed for realistic networks up to machine precision. We use this exact kernel to show that our theoretical contribution can provide useful insights into the predictions made by neural networks, particularly the way in which they generalize.

We model a family of closed kinematic chains, known as Kaleidocycles, with the theory of discrete spatial curves. By leveraging the connection between the deformation of discrete curves and the semi-discrete integrable systems, we describe the motion of a Kaleidocycle by elliptic theta functions. This study showcases an interesting example in which an integrable system generates an orbit in the space of the real solutions of polynomial equations defined by geometric constraints.

We propose a novel way to improve the generalisation capacity of deep learning models by reducing high correlations between neurons. For this, we present two regularisation terms computed from the weights of a minimum spanning tree of the clique whose vertices are the neurons of a given network (or a sample of those), where weights on edges are correlation dissimilarities. We provide an extensive set of experiments to validate the effectiveness of our terms, showing that they outperform popular ones. Also, we demonstrate that naive minimisation of all correlations between neurons obtains lower accuracies than our regularisation terms, suggesting that redundancies play a significant role in artificial neural networks, as evidenced by some studies in neuroscience for real networks. We include a proof of differentiability of our regularisers, thus developing the first effective topological persistence-based regularisation terms that consider the whole set of neurons and that can be applied to a feedforward architecture in any deep learning task such as classification, data generation, or regression.

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.

Contrastive learning models have achieved great success in unsupervised visual representation learning, which maximize the similarities between feature representations of different views of the same image, while minimize the similarities between feature representations of views of different images. In text summarization, the output summary is a shorter form of the input document and they have similar meanings. In this paper, we propose a contrastive learning model for supervised abstractive text summarization, where we view a document, its gold summary and its model generated summaries as different views of the same mean representation and maximize the similarities between them during training. We improve over a strong sequence-to-sequence text generation model (i.e., BART) on three different summarization datasets. Human evaluation also shows that our model achieves better faithfulness ratings compared to its counterpart without contrastive objectives.

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.

Humans perceive the world by concurrently processing and fusing high-dimensional inputs from multiple modalities such as vision and audio. Machine perception models, in stark contrast, are typically modality-specific and optimised for unimodal benchmarks, and hence late-stage fusion of final representations or predictions from each modality (`late-fusion') is still a dominant paradigm for multimodal video classification. Instead, we introduce a novel transformer based architecture that uses `fusion bottlenecks' for modality fusion at multiple layers. Compared to traditional pairwise self-attention, our model forces information between different modalities to pass through a small number of bottleneck latents, requiring the model to collate and condense the most relevant information in each modality and only share what is necessary. We find that such a strategy improves fusion performance, at the same time reducing computational cost. We conduct thorough ablation studies, and achieve state-of-the-art results on multiple audio-visual classification benchmarks including Audioset, Epic-Kitchens and VGGSound. All code and models will be released.

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.

We advocate the use of implicit fields for learning generative models of shapes and introduce an implicit field decoder for shape generation, aimed at improving the visual quality of the generated shapes. An implicit field assigns a value to each point in 3D space, so that a shape can be extracted as an iso-surface. Our implicit field decoder is trained to perform this assignment by means of a binary classifier. Specifically, it takes a point coordinate, along with a feature vector encoding a shape, and outputs a value which indicates whether the point is outside the shape or not. By replacing conventional decoders by our decoder for representation learning and generative modeling of shapes, we demonstrate superior results for tasks such as shape autoencoding, generation, interpolation, and single-view 3D reconstruction, particularly in terms of visual quality.