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The approximate uniform sampling of graph realizations with a given degree sequence is an everyday task in several social science, computer science, engineering etc. projects. One approach is using Markov chains. The best available current result about the well-studied switch Markov chain is that it is rapidly mixing on P-stable degree sequences (see DOI:10.1016/j.ejc.2021.103421). The switch Markov chain does not change any degree sequence. However, there are cases where degree intervals are specified rather than a single degree sequence. (A natural scenario where this problem arises is in hypothesis testing on social networks that are only partially observed.) Rechner, Strowick, and M\"uller-Hannemann introduced in 2018 the notion of degree interval Markov chain which uses three (separately well-studied) local operations (switch, hinge-flip and toggle), and employing on degree sequence realizations where any two sequences under scrutiny have very small coordinate-wise distance. Recently Amanatidis and Kleer published a beautiful paper (arXiv:2110.09068), showing that the degree interval Markov chain is rapidly mixing if the sequences are coming from a system of very thin intervals which are centered not far from a regular degree sequence. In this paper we extend substantially their result, showing that the degree interval Markov chain is rapidly mixing if the intervals are centred at P-stable degree sequences.

We employ kernel-based approaches that use samples from a probability distribution to approximate a Kolmogorov operator on a manifold. The self-tuning variable-bandwidth kernel method [Berry & Harlim, Appl. Comput. Harmon. Anal., 40(1):68--96, 2016] computes a large, sparse matrix that approximates the differential operator. Here, we use the eigendecomposition of the discretization to (i) invert the operator, solving a differential equation, and (ii) represent gradient vector fields on the manifold. These methods only require samples from the underlying distribution and, therefore, can be applied in high dimensions or on geometrically complex manifolds when spatial discretizations are not available. We also employ an efficient $k$-$d$ tree algorithm to compute the sparse kernel matrix, which is a computational bottleneck.

This paper explores formalizing Geometric (or Clifford) algebras into the Lean 3 theorem prover, building upon the substantial body of work that is the Lean mathematics library, mathlib. As we use Lean source code to demonstrate many of our ideas, we include a brief introduction to the Lean language targeted at a reader with no prior experience with Lean or theorem provers in general. We formalize the multivectors as the quotient of the tensor algebra by a suitable relation, which provides the ring structure automatically, then go on to establish the universal property of the Clifford algebra. We show that this is quite different to the approach taken by existing formalizations of Geometric algebra in other theorem provers; most notably, our approach does not require a choice of basis. We go on to show how operations and structure such as involutions, versors, and the $\mathbb{Z}_2$-grading can be defined using the universal property alone, and how to recover an induction principle from the universal property suitable for proving statements about these definitions. We outline the steps needed to formalize the wedge product and $\mathbb{N}$-grading, and some of the gaps in mathlib that currently make this challenging.

In this work, we introduce a novel approach to formulating an artificial viscosity for shock capturing in nonlinear hyperbolic systems by utilizing the property that the solutions of hyperbolic conservation laws are not reversible in time in the vicinity of shocks. The proposed approach does not require any additional governing equations or a priori knowledge of the hyperbolic system in question, is independent of the mesh and approximation order, and requires the use of only one tunable parameter. The primary novelty is that the resulting artificial viscosity is unique for each component of the conservation law which is advantageous for systems in which some components exhibit discontinuities while others do not. The efficacy of the method is shown in numerical experiments of multi-dimensional hyperbolic conservation laws such as nonlinear transport, Euler equations, and ideal magnetohydrodynamics using a high-order discontinuous spectral element method on unstructured grids.

Category theory can be used to state formulas in First-Order Logic without using set membership. Several notable results in logic such as proof of the continuum hypothesis can be elegantly rewritten in category theory. We propose in this paper a reformulation of the usual set-theoretical semantics of the description logic $\mathcal{ALC}$ by using categorical language. In this setting, ALC concepts are represented as objects, concept subsumptions as arrows, and memberships as logical quantifiers over objects and arrows of categories. Such a category-theoretical semantics provides a more modular representation of the semantics of $\mathcal{ALC}$ and a new way to design algorithms for reasoning.

Categorical probability has recently seen significant advances through the formalism of Markov categories, within which several classical theorems have been proven in entirely abstract categorical terms. Closely related to Markov categories are gs-monoidal categories, also known as CD categories. These omit a condition that implements the normalization of probability. Extending work of Corradini and Gadducci, we construct free gs-monoidal and free Markov categories generated by a collection of morphisms of arbitrary arity and coarity. For free gs-monoidal categories, this comes in the form of an explicit combinatorial description of their morphisms as structured cospans of labeled hypergraphs. These can be thought of as a formalization of gs-monoidal string diagrams ($=$term graphs) as a combinatorial data structure. We formulate the appropriate $2$-categorical universal property based on ideas of Walters and prove that our categories satisfy it. We expect our free categories to be relevant for computer implementations and we also argue that they can be used as statistical causal models generalizing Bayesian networks.

Many mathematical objects can be represented as functors from finitely-presented categories $\mathsf{C}$ to $\mathsf{Set}$. For instance, graphs are functors to $\mathsf{Set}$ from the category with two parallel arrows. Such functors are known informally as $\mathsf{C}$-sets. In this paper, we describe and implement an extension of $\mathsf{C}$-sets having data attributes with fixed types, such as graphs with labeled vertices or real-valued edge weights. We call such structures "acsets," short for "attributed $\mathsf{C}$-sets." Derived from previous work on algebraic databases, acsets are a joint generalization of graphs and data frames. They also encompass more elaborate graph-like objects such as wiring diagrams and Petri nets with rate constants. We develop the mathematical theory of acsets and then describe a generic implementation in the Julia programming language, which uses advanced language features to achieve performance comparable with specialized data structures.

In the pooled data problem we are given a set of $n$ agents, each of which holds a hidden state bit, either $0$ or $1$. A querying procedure returns for a query set the sum of the states of the queried agents. The goal is to reconstruct the states using as few queries as possible. In this paper we consider two noise models for the pooled data problem. In the noisy channel model, the result for each agent flips with a certain probability. In the noisy query model, each query result is subject to random Gaussian noise. Our results are twofold. First, we present and analyze for both error models a simple and efficient distributed algorithm that reconstructs the initial states in a greedy fashion. Our novel analysis pins down the range of error probabilities and distributions for which our algorithm reconstructs the exact initial states with high probability. Secondly, we present simulation results of our algorithm and compare its performance with approximate message passing (AMP) algorithms that are conjectured to be optimal in a number of related problems.

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.

Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this achievement, the design and training of neural networks are still challenging and unpredictable procedures. To lower the technical thresholds for common users, automated hyper-parameter optimization (HPO) has become a popular topic in both academic and industrial areas. This paper provides a review of the most essential topics on HPO. The first section introduces the key hyper-parameters related to model training and structure, and discusses their importance and methods to define the value range. Then, the research focuses on major optimization algorithms and their applicability, covering their efficiency and accuracy especially for deep learning networks. This study next reviews major services and toolkits for HPO, comparing their support for state-of-the-art searching algorithms, feasibility with major deep learning frameworks, and extensibility for new modules designed by users. The paper concludes with problems that exist when HPO is applied to deep learning, a comparison between optimization algorithms, and prominent approaches for model evaluation with limited computational resources.