After challenging the validity of these assumptions in real-world applications, we propose ways to move forward when they are violated. First, we show that group fairness criteria purely based on statistical properties of observed data are fundamentally limited. Revisiting this limitation from a causal viewpoint we develop a more versatile conceptual framework, causal fairness criteria, and first algorithms to achieve them. We also provide tools to analyze how sensitive a believed-to-be causally fair algorithm is to misspecifications of the causal graph. Second, we overcome the assumption that sensitive data is readily available in practice. To this end we devise protocols based on secure multi-party computation to train, validate, and contest fair decision algorithms without requiring users to disclose their sensitive data or decision makers to disclose their models. Finally, we also accommodate the fact that outcome labels are often only observed when a certain decision has been made. We suggest a paradigm shift away from training predictive models towards directly learning decisions to relax the traditional assumption that labels can always be recorded. The main contribution of this thesis is the development of theoretically substantiated and practically feasible methods to move research on fair machine learning closer to real-world applications.

In this paper, we study the information theoretic bounds for exact recovery in sub-hypergraph models for community detection. We define a general model called the $m-$uniform sub-hypergraph stochastic block model ($m-$ShSBM). Under the $m-$ShSBM, we use Fano's inequality to identify the region of model parameters where any algorithm fails to exactly recover the planted communities with a large probability. We also identify the region where a Maximum Likelihood Estimation (MLE) algorithm succeeds to exactly recover the communities with high probability. Our bounds are tight and pertain to the community detection problems in various models such as the planted hypergraph stochastic block model, the planted densest sub-hypergraph model, and the planted multipartite hypergraph model.

Theoretical results show that Bayesian methods can achieve lower bounds on regret for online logistic regression. In practice, however, such techniques may not be feasible especially for very large feature sets. Various approximations that, for huge sparse feature sets, diminish the theoretical advantages, must be used. Often, they apply stochastic gradient methods with hyper-parameters that must be tuned on some surrogate loss, defeating theoretical advantages of Bayesian methods. The surrogate loss, defined to approximate the mixture, requires techniques as Monte Carlo sampling, increasing computations per example. We propose low complexity analytical approximations for sparse online logistic and probit regressions. Unlike variational inference and other methods, our methods use analytical closed forms, substantially lowering computations. Unlike dense solutions, as Gaussian Mixtures, our methods allow for sparse problems with huge feature sets without increasing complexity. With the analytical closed forms, there is also no need for applying stochastic gradient methods on surrogate losses, and for tuning and balancing learning and regularization hyper-parameters. Empirical results top the performance of the more computationally involved methods. Like such methods, our methods still reveal per feature and per example uncertainty measures.

Perfect adaptation in a dynamical system is the phenomenon that one or more variables have an initial transient response to a persistent change in an external stimulus but revert to their original value as the system converges to equilibrium. The causal ordering algorithm can be used to construct an equilibrium causal ordering graph that represents causal relations and a Markov ordering graph that implies conditional independences from a set of equilibrium equations. Based on this, we formulate sufficient graphical conditions to identify perfect adaptation from a set of first-order differential equations. Furthermore, we give sufficient conditions to test for the presence of perfect adaptation in experimental equilibrium data. We apply our ideas to a simple model for a protein signalling pathway and test its predictions both in simulations and on real-world protein expression data. We demonstrate that perfect adaptation in this model can explain why the presence and orientation of edges in the output of causal discovery algorithms does not always appear to agree with the direction of edges in biological consensus networks.

Artificial Intelligence (AI), and in particular, the explainability thereof, has gained phenomenal attention over the last few years. Whilst we usually do not question the decision-making process of these systems in situations where only the outcome is of interest, we do however pay close attention when these systems are applied in areas where the decisions directly influence the lives of humans. It is especially noisy and uncertain observations close to the decision boundary which results in predictions which cannot necessarily be explained that may foster mistrust among end-users. This drew attention to AI methods for which the outcomes can be explained. Bayesian networks are probabilistic graphical models that can be used as a tool to manage uncertainty. The probabilistic framework of a Bayesian network allows for explainability in the model, reasoning and evidence. The use of these methods is mostly ad hoc and not as well organised as explainability methods in the wider AI research field. As such, we introduce a taxonomy of explainability in Bayesian networks. We extend the existing categorisation of explainability in the model, reasoning or evidence to include explanation of decisions. The explanations obtained from the explainability methods are illustrated by means of a simple medical diagnostic scenario. The taxonomy introduced in this paper has the potential not only to encourage end-users to efficiently communicate outcomes obtained, but also support their understanding of how and, more importantly, why certain predictions were made.

We present a Gaussian Process - Latent Class Choice Model (GP-LCCM) to integrate a non-parametric class of probabilistic machine learning within discrete choice models (DCMs). Gaussian Processes (GPs) are kernel-based algorithms that incorporate expert knowledge by assuming priors over latent functions rather than priors over parameters, which makes them more flexible in addressing nonlinear problems. By integrating a Gaussian Process within a LCCM structure, we aim at improving discrete representations of unobserved heterogeneity. The proposed model would assign individuals probabilistically to behaviorally homogeneous clusters (latent classes) using GPs and simultaneously estimate class-specific choice models by relying on random utility models. Furthermore, we derive and implement an Expectation-Maximization (EM) algorithm to jointly estimate/infer the hyperparameters of the GP kernel function and the class-specific choice parameters by relying on a Laplace approximation and gradient-based numerical optimization methods, respectively. The model is tested on two different mode choice applications and compared against different LCCM benchmarks. Results show that GP-LCCM allows for a more complex and flexible representation of heterogeneity and improves both in-sample fit and out-of-sample predictive power. Moreover, behavioral and economic interpretability is maintained at the class-specific choice model level while local interpretation of the latent classes can still be achieved, although the non-parametric characteristic of GPs lessens the transparency of the model.

Machine learning (ML) has become a vital part in many aspects of our daily life. However, building well performing machine learning applications requires highly specialized data scientists and domain experts. Automated machine learning (AutoML) aims to reduce the demand for data scientists by enabling domain experts to build machine learning applications automatically without extensive knowledge of statistics and machine learning. This paper is a combination of a survey on current AutoML methods and a benchmark of popular AutoML frameworks on real data sets. Driven by the selected frameworks for evaluation, we summarize and review important AutoML techniques and methods concerning every step in building an ML pipeline. The selected AutoML frameworks are evaluated on 137 data sets from established AutoML benchmark suites.

Graph matching, also known as network alignment, refers to finding a bijection between the vertex sets of two given graphs so as to maximally align their edges. This fundamental computational problem arises frequently in multiple fields such as computer vision and biology. Recently, there has been a plethora of work studying efficient algorithms for graph matching under probabilistic models. In this work, we propose a new algorithm for graph matching and show that, for two Erd\H{o}s-R\'enyi graphs with edge correlation $1-\alpha$, our algorithm recovers the underlying matching with high probability when $\alpha \le 1 / (\log \log n)^C$, where $n$ is the number of vertices in each graph and $C$ denotes a positive universal constant. This improves the condition $\alpha \le 1 / (\log n)^C$ achieved in previous work.

A key challenge in scaling Gaussian Process (GP) regression to massive datasets is that exact inference requires computation with a dense n x n kernel matrix, where n is the number of data points. Significant work focuses on approximating the kernel matrix via interpolation using a smaller set of m inducing points. Structured kernel interpolation (SKI) is among the most scalable methods: by placing inducing points on a dense grid and using structured matrix algebra, SKI achieves per-iteration time of O(n + m log m) for approximate inference. This linear scaling in n enables inference for very large data sets; however the cost is per-iteration, which remains a limitation for extremely large n. We show that the SKI per-iteration time can be reduced to O(m log m) after a single O(n) time precomputation step by reframing SKI as solving a natural Bayesian linear regression problem with a fixed set of m compact basis functions. With per-iteration complexity independent of the dataset size n for a fixed grid, our method scales to truly massive data sets. We demonstrate speedups in practice for a wide range of m and n and apply the method to GP inference on a three-dimensional weather radar dataset with over 100 million points.

As robots are being increasingly used in close proximity to humans and objects, it is imperative that robots operate safely and efficiently under real-world conditions. Yet, the environment is seldom known perfectly. Noisy sensors and actuation errors compound to the errors introduced while estimating features of the environment. We present a novel approach (1) to incorporate these uncertainties for robot state estimation and (2) to compute the probability of collision pertaining to the estimated robot configurations. The expression for collision probability is obtained as an infinite series and we prove its convergence. An upper bound for the truncation error is also derived and the number of terms required is demonstrated by analyzing the convergence for different robot and obstacle configurations. We evaluate our approach using two simulation domains which use a roadmap-based strategy to synthesize trajectories that satisfy collision probability bounds.