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Automated Machine Learning-based systems' integration into a wide range of tasks has expanded as a result of their performance and speed. Although there are numerous advantages to employing ML-based systems, if they are not interpretable, they should not be used in critical, high-risk applications where human lives are at risk. To address this issue, researchers and businesses have been focusing on finding ways to improve the interpretability of complex ML systems, and several such methods have been developed. Indeed, there are so many developed techniques that it is difficult for practitioners to choose the best among them for their applications, even when using evaluation metrics. As a result, the demand for a selection tool, a meta-explanation technique based on a high-quality evaluation metric, is apparent. In this paper, we present a local meta-explanation technique which builds on top of the truthfulness metric, which is a faithfulness-based metric. We demonstrate the effectiveness of both the technique and the metric by concretely defining all the concepts and through experimentation.

Relational verification encompasses information flow security, regression verification, translation validation for compilers, and more. Effective alignment of the programs and computations to be related facilitates use of simpler relational invariants and relational procedure specs, which in turn enables automation and modular reasoning. Alignment has been explored in terms of trace pairs, deductive rules of relational Hoare logics (RHL), and several forms of product automata. This article shows how a simple extension of Kleene Algebra with Tests (KAT), called BiKAT, subsumes prior formulations, including alignment witnesses for forall-exists properties, which brings to light new RHL-style rules for such properties. Alignments can be discovered algorithmically or devised manually but, in either case, their adequacy with respect to the original programs must be proved; an explicit algebra enables constructive proof by equational reasoning. Furthermore our approach inherits algorithmic benefits from existing KAT-based techniques and tools, which are applicable to a range of semantic models.

Recent years have witnessed a growth in mathematics for deep learning--which seeks a deeper understanding of the concepts of deep learning with mathematics, and explores how to make it more robust--and deep learning for mathematics, where deep learning algorithms are used to solve problems in mathematics. The latter has popularised the field of scientific machine learning where deep learning is applied to problems in scientific computing. Specifically, more and more neural network architectures have been developed to solve specific classes of partial differential equations (PDEs). Such methods exploit properties that are inherent to PDEs and thus solve the PDEs better than classical feed-forward neural networks, recurrent neural networks, and convolutional neural networks. This has had a great impact in the area of mathematical modeling where parametric PDEs are widely used to model most natural and physical processes arising in science and engineering, In this work, we review such methods and extend them for parametric studies as well as for solving the related inverse problems. We equally proceed to show their relevance in some industrial applications.

We investigate mathematical structures that provide a natural semantics for families of (quantified) non-classical logics featuring special unary connectives, called recovery operators, that allow us to 'recover' the properties of classical logic in a controlled fashion. These structures are called topological Boolean algebras. They are Boolean algebras extended with additional unary operations, called operators, such that they satisfy particular conditions of a topological nature. In the present work we focus on the paradigmatic case of negation. We show how these algebras are well-suited to provide a semantics for some families of paraconsistent Logics of Formal Inconsistency and paracomplete Logics of Formal Undeterminedness, which feature recovery operators used to earmark propositions that behave 'classically' in interaction with non-classical negations. In contrast to traditional semantical investigations, carried out in natural language (extended with mathematical shorthand), our formal meta-language is a system of higher-order logic (HOL) for which automated reasoning tools exist. In our approach, topological Boolean algebras become encoded as algebras of sets via their Stone-type representation. We employ our higher-order meta-logic to define and interrelate several transformations on unary set operations (operators), which naturally give rise to a topological cube of opposition. Furthermore, our approach allows for a uniform characterization of propositional, first-order and higher-order quantification (also restricted to constant and varying domains). With this work we want to make a case for the utilization of automated theorem proving technology for doing computer-supported research in non-classical logics. All presented results have been formally verified (and in many cases obtained) using the Isabelle/HOL proof assistant.

We show that reverse mode automatic differentiation and symbolic differentiation are equivalent in the sense that they both perform the same operations when computing derivatives. This is in stark contrast to the common claim that they are substantially different. The difference is often illustrated by claiming that symbolic differentiation suffers from "expression swell" whereas automatic differentiation does not. Here, we show that this statement is not true. "Expression swell" refers to the phenomenon of a much larger representation of the derivative as opposed to the representation of the original function.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Data in Knowledge Graphs often represents part of the current state of the real world. Thus, to stay up-to-date the graph data needs to be updated frequently. To utilize information from Knowledge Graphs, many state-of-the-art machine learning approaches use embedding techniques. These techniques typically compute an embedding, i.e., vector representations of the nodes as input for the main machine learning algorithm. If a graph update occurs later on -- specifically when nodes are added or removed -- the training has to be done all over again. This is undesirable, because of the time it takes and also because downstream models which were trained with these embeddings have to be retrained if they change significantly. In this paper, we investigate embedding updates that do not require full retraining and evaluate them in combination with various embedding models on real dynamic Knowledge Graphs covering multiple use cases. We study approaches that place newly appearing nodes optimally according to local information, but notice that this does not work well. However, we find that if we continue the training of the old embedding, interleaved with epochs during which we only optimize for the added and removed parts, we obtain good results in terms of typical metrics used in link prediction. This performance is obtained much faster than with a complete retraining and hence makes it possible to maintain embeddings for dynamic Knowledge Graphs.

It has been a long time that computer architecture and systems are optimized to enable efficient execution of machine learning (ML) algorithms or models. Now, it is time to reconsider the relationship between ML and systems, and let ML transform the way that computer architecture and systems are designed. This embraces a twofold meaning: the improvement of designers' productivity, and the completion of the virtuous cycle. In this paper, we present a comprehensive review of work that applies ML for system design, which can be grouped into two major categories, ML-based modelling that involves predictions of performance metrics or some other criteria of interest, and ML-based design methodology that directly leverages ML as the design tool. For ML-based modelling, we discuss existing studies based on their target level of system, ranging from the circuit level to the architecture/system level. For ML-based design methodology, we follow a bottom-up path to review current work, with a scope of (micro-)architecture design (memory, branch prediction, NoC), coordination between architecture/system and workload (resource allocation and management, data center management, and security), compiler, and design automation. We further provide a future vision of opportunities and potential directions, and envision that applying ML for computer architecture and systems would thrive in the community.

Graphical causal inference as pioneered by Judea Pearl arose from research on artificial intelligence (AI), and for a long time had little connection to the field of machine learning. This article discusses where links have been and should be established, introducing key concepts along the way. It argues that the hard open problems of machine learning and AI are intrinsically related to causality, and explains how the field is beginning to understand them.

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.