Our lower bound analysis shows that the sample complexities ofBSGD cannot be improved for general convexobjectives and nonconvexobjectivesexcept for smooth nonconvexobjectiveswith Lipschitz continuous gradient estimator.

Inoursetup,armsareassociated with fixed costs and are ordered, forming acascade. In each round, acontext is presented, andthelearner selects thearmssequentially tillsome depth.

Model monitoring involves analyzing AI algorithms once they have been deployed and detecting changes in their behaviour. This thesis explores machine learning model monitoring ML before the predictions impact real-world decisions or users. This step is characterized by one particular condition: the absence of labelled data at test time, which makes it challenging, even often impossible, to calculate performance metrics. The thesis is structured around two main themes: (i) AI alignment, measuring if AI models behave in a manner consistent with human values and (ii) performance monitoring, measuring if the models achieve specific accuracy goals or desires. The thesis uses a common methodology that unifies all its sections. It explores feature attribution distributions for both monitoring dimensions. Using these feature attribution explanations, we can exploit their theoretical properties to derive and establish certain guarantees and insights into model monitoring.

This book aims to provide a graduate-level introduction to advanced topics in Markov chain Monte Carlo (MCMC) algorithms, as applied broadly in the Bayesian computational context. Most, if not all of these topics (stochastic gradient MCMC, non-reversible MCMC, continuous time MCMC, and new techniques for convergence assessment) have emerged as recently as the last decade, and have driven substantial recent practical and theoretical advances in the field. A particular focus is on methods that are scalable with respect to either the amount of data, or the data dimension, motivated by the emerging high-priority application areas in machine learning and AI.

This book aims to provide an introduction to the topic of deep learning algorithms. We review essential components of deep learning algorithms in full mathematical detail including different artificial neural network (ANN) architectures (such as fully-connected feedforward ANNs, convolutional ANNs, recurrent ANNs, residual ANNs, and ANNs with batch normalization) and different optimization algorithms (such as the basic stochastic gradient descent (SGD) method, accelerated methods, and adaptive methods). We also cover several theoretical aspects of deep learning algorithms such as approximation capacities of ANNs (including a calculus for ANNs), optimization theory (including Kurdyka-{\L}ojasiewicz inequalities), and generalization errors. In the last part of the book some deep learning approximation methods for PDEs are reviewed including physics-informed neural networks (PINNs) and deep Galerkin methods. We hope that this book will be useful for students and scientists who do not yet have any background in deep learning at all and would like to gain a solid foundation as well as for practitioners who would like to obtain a firmer mathematical understanding of the objects and methods considered in deep learning.

How does language inform our downstream thinking? In particular, how do humans make meaning from language--and how can we leverage a theory of linguistic meaning to build machines that think in more human-like ways? In this paper, we propose rational meaning construction, a computational framework for language-informed thinking that combines neural language models with probabilistic models for rational inference. We frame linguistic meaning as a context-sensitive mapping from natural language into a probabilistic language of thought (PLoT)--a general-purpose symbolic substrate for generative world modeling. Our architecture integrates two computational tools that have not previously come together: we model thinking with probabilistic programs, an expressive representation for commonsense reasoning; and we model meaning construction with large language models (LLMs), which support broad-coverage translation from natural language utterances to code expressions in a probabilistic programming language. We illustrate our framework through examples covering four core domains from cognitive science: probabilistic reasoning, logical and relational reasoning, visual and physical reasoning, and social reasoning. In each, we show that LLMs can generate context-sensitive translations that capture pragmatically-appropriate linguistic meanings, while Bayesian inference with the generated programs supports coherent and robust commonsense reasoning. We extend our framework to integrate cognitively-motivated symbolic modules (physics simulators, graphics engines, and planning algorithms) to provide a unified commonsense thinking interface from language. Finally, we explore how language can drive the construction of world models themselves. We hope this work will provide a roadmap towards cognitive models and AI systems that synthesize the insights of both modern and classical computational perspectives.

Clustering is a well-known unsupervised machine learning approach capable of automatically grouping discrete sets of instances with similar characteristics. Constrained clustering is a semi-supervised extension to this process that can be used when expert knowledge is available to indicate constraints that can be exploited. Well-known examples of such constraints are must-link (indicating that two instances belong to the same group) and cannot-link (two instances definitely do not belong together). The research area of constrained clustering has grown significantly over the years with a large variety of new algorithms and more advanced types of constraints being proposed. However, no unifying overview is available to easily understand the wide variety of available methods, constraints and benchmarks. To remedy this, this study presents in-detail the background of constrained clustering and provides a novel ranked taxonomy of the types of constraints that can be used in constrained clustering. In addition, it focuses on the instance-level pairwise constraints, and gives an overview of its applications and its historical context. Finally, it presents a statistical analysis covering 307 constrained clustering methods, categorizes them according to their features, and provides a ranking score indicating which methods have the most potential based on their popularity and validation quality. Finally, based upon this analysis, potential pitfalls and future research directions are provided.

With most technical fields, there exists a delay between fundamental academic research and practical industrial uptake. Whilst some sciences have robust and well-established processes for commercialisation, such as the pharmaceutical practice of regimented drug trials, other fields face transitory periods in which fundamental academic advancements diffuse gradually into the space of commerce and industry. For the still relatively young field of Automated/Autonomous Machine Learning (AutoML/AutonoML), that transitory period is under way, spurred on by a burgeoning interest from broader society. Yet, to date, little research has been undertaken to assess the current state of this dissemination and its uptake. Thus, this review makes two primary contributions to knowledge around this topic. Firstly, it provides the most up-to-date and comprehensive survey of existing AutoML tools, both open-source and commercial. Secondly, it motivates and outlines a framework for assessing whether an AutoML solution designed for real-world application is 'performant'; this framework extends beyond the limitations of typical academic criteria, considering a variety of stakeholder needs and the human-computer interactions required to service them. Thus, additionally supported by an extensive assessment and comparison of academic and commercial case-studies, this review evaluates mainstream engagement with AutoML in the early 2020s, identifying obstacles and opportunities for accelerating future uptake.

Applied mathematics and machine computations have raised a lot of hope since the recent success of supervised learning. Many practitioners in industries have been trying to switch from their old paradigms to machine learning. Interestingly, those data scientists spend more time scrapping, annotating and cleaning data than fine-tuning models. This thesis is motivated by the following question: can we derive a more generic framework than the one of supervised learning in order to learn from clutter data? This question is approached through the lens of weakly supervised learning, assuming that the bottleneck of data collection lies in annotation. We model weak supervision as giving, rather than a unique target, a set of target candidates. We argue that one should look for an ``optimistic'' function that matches most of the observations. This allows us to derive a principle to disambiguate partial labels. We also discuss the advantage to incorporate unsupervised learning techniques into our framework, in particular manifold regularization approached through diffusion techniques, for which we derived a new algorithm that scales better with input dimension then the baseline method. Finally, we switch from passive to active weakly supervised learning, introducing the ``active labeling'' framework, in which a practitioner can query weak information about chosen data. Among others, we leverage the fact that one does not need full information to access stochastic gradients and perform stochastic gradient descent.

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.