This paper presents a novel method for the automated synthesis of probabilistic programs. The starting point is a program sketch representing a finite family of finite-state Markov chains with related but distinct topologies, and a PCTL specification. The method builds on a novel inductive oracle that greedily generates counter-examples (CEs) for violating programs and uses them to prune the family. These CEs leverage the semantics of the family in the form of bounds on its best- and worst-case behaviour provided by a deductive oracle using an MDP abstraction. The method further monitors the performance of the synthesis and adaptively switches between the inductive and deductive reasoning. Our experiments demonstrate that the novel CE construction provides a significantly faster and more effective pruning strategy leading to acceleration of the synthesis process on a wide range of benchmarks. For challenging problems, such as the synthesis of decentralized partially-observable controllers, we reduce the run-time from a day to minutes.

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.

State construction is important for learning in partially observable environments. A general purpose strategy for state construction is to learn the state update using a Recurrent Neural Network (RNN), which updates the internal state using the current internal state and the most recent observation. This internal state provides a summary of the observed sequence, to facilitate accurate predictions and decision-making. At the same time, specifying and training RNNs is notoriously tricky, particularly as the common strategy to approximate gradients back in time, called truncated Back-prop Through Time (BPTT), can be sensitive to the truncation window. Further, domain-expertise—which can usually help constrain the function class and so improve trainability—can be difficult to incorporate into complex recurrent units used within RNNs. In this work, we explore how to use multi-step predictions to constrain the RNN and incorporate prior knowledge. In particular, we revisit the idea of using predictions to construct state and ask: does constraining (parts of) the state to consist of predictions about the future improve RNN trainability? We formulate a novel RNN architecture, called a General Value Function Network (GVFN), where each internal state component corresponds to a prediction about the future represented as a value function. We first provide an objective for optimizing GVFNs, and derive several algorithms to optimize this objective. We then show that GVFNs are more robust to the truncation level, in many cases only requiring one-step gradient updates.

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.

The standard Markov Decision Process (MDP) formulation hinges on the assumption that an action is executed immediately after it was chosen. However, assuming it is often unrealistic and can lead to catastrophic failures in applications such as robotic manipulation, cloud computing, and finance. We introduce a framework for learning and planning in MDPs where the decision-maker commits actions that are executed with a delay of $m$ steps. The brute-force state augmentation baseline where the state is concatenated to the last $m$ committed actions suffers from an exponential complexity in $m$, as we show for policy iteration. We then prove that with execution delay, Markov policies in the original state-space are sufficient for attaining maximal reward, but need to be non-stationary. As for stationary Markov policies, we show they are sub-optimal in general. Consequently, we devise a non-stationary Q-learning style model-based algorithm that solves delayed execution tasks without resorting to state-augmentation. Experiments on tabular, physical, and Atari domains reveal that it converges quickly to high performance even for substantial delays, while standard approaches that either ignore the delay or rely on state-augmentation struggle or fail due to divergence. The code is available at https://github.com/galdl/rl_delay_basic.git.

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.

Hypergraphs are a natural modeling paradigm for a wide range of complex relational systems with multibody interactions. A standard analysis task is to identify clusters of closely related or densely interconnected nodes. While many probabilistic generative models for graph clustering have been proposed, there are relatively few such models for hypergraphs. We propose a Poisson degree-corrected hypergraph stochastic blockmodel (DCHSBM), an expressive generative model of clustered hypergraphs with heterogeneous node degrees and edge sizes. Approximate maximum-likelihood inference in the DCHSBM naturally leads to a clustering objective that generalizes the popular modularity objective for graphs. We derive a general Louvain-type algorithm for this objective, as well as a a faster, specialized "All-Or-Nothing" (AON) variant in which edges are expected to lie fully within clusters. This special case encompasses a recent proposal for modularity in hypergraphs, while also incorporating flexible resolution and edge-size parameters. We show that hypergraph Louvain is highly scalable, including as an example an experiment on a synthetic hypergraph of one million nodes. We also demonstrate through synthetic experiments that the detectability regimes for hypergraph community detection differ from methods based on dyadic graph projections. In particular, there are regimes in which hypergraph methods can recover planted partitions even though graph based methods necessarily fail due to information-theoretic limits. We use our model to analyze different patterns of higher-order structure in school contact networks, U.S. congressional bill cosponsorship, U.S. congressional committees, product categories in co-purchasing behavior, and hotel locations from web browsing sessions, that it is able to recover ground truth clusters in empirical data sets exhibiting the corresponding higher-order structure.