Since its inception, the choice modelling field has been dominated by theory-driven modelling approaches. Machine learning offers an alternative data-driven approach for modelling choice behaviour and is increasingly drawing interest in our field. Cross-pollination of machine learning models, techniques and practices could help overcome problems and limitations encountered in the current theory-driven modelling paradigm, such as subjective labour-intensive search processes for model selection, and the inability to work with text and image data. However, despite the potential benefits of using the advances of machine learning to improve choice modelling practices, the choice modelling field has been hesitant to embrace machine learning. This discussion paper aims to consolidate knowledge on the use of machine learning models, techniques and practices for choice modelling, and discuss their potential. Thereby, we hope not only to make the case that further integration of machine learning in choice modelling is beneficial, but also to further facilitate it. To this end, we clarify the similarities and differences between the two modelling paradigms; we review the use of machine learning for choice modelling; and we explore areas of opportunities for embracing machine learning models and techniques to improve our practices. To conclude this discussion paper, we put forward a set of research questions which must be addressed to better understand if and how machine learning can benefit choice modelling.

FCMpy is an open source package in Python for building and analyzing Fuzzy Cognitive Maps. More specifically, the package allows 1) deriving fuzzy causal weights from qualitative data, 2) simulating the system behavior, 3) applying machine learning algorithms (e.g., Nonlinear Hebbian Learning, Active Hebbian Learning, Genetic Algorithms and Deterministic Learning) to adjust the FCM causal weight matrix and to solve classification problems, and 4) implementing scenario analysis by simulating hypothetical interventions (i.e., analyzing what-if scenarios).

This thesis is mainly concerned with state-space approaches for solving deep (temporal) Gaussian process (DGP) regression problems. More specifically, we represent DGPs as hierarchically composed systems of stochastic differential equations (SDEs), and we consequently solve the DGP regression problem by using state-space filtering and smoothing methods. The resulting state-space DGP (SS-DGP) models generate a rich class of priors compatible with modelling a number of irregular signals/functions. Moreover, due to their Markovian structure, SS-DGPs regression problems can be solved efficiently by using Bayesian filtering and smoothing methods. The second contribution of this thesis is that we solve continuous-discrete Gaussian filtering and smoothing problems by using the Taylor moment expansion (TME) method. This induces a class of filters and smoothers that can be asymptotically exact in predicting the mean and covariance of stochastic differential equations (SDEs) solutions. Moreover, the TME method and TME filters and smoothers are compatible with simulating SS-DGPs and solving their regression problems. Lastly, this thesis features a number of applications of state-space (deep) GPs. These applications mainly include, (i) estimation of unknown drift functions of SDEs from partially observed trajectories and (ii) estimation of spectro-temporal features of signals.

Estimation of riverbed profiles, also known as bathymetry, plays a vital role in many applications, such as safe and efficient inland navigation, prediction of bank erosion, land subsidence, and flood risk management. The high cost and complex logistics of direct bathymetry surveys, i.e., depth imaging, have encouraged the use of indirect measurements such as surface flow velocities. However, estimating high-resolution bathymetry from indirect measurements is an inverse problem that can be computationally challenging. Here, we propose a reduced-order model (ROM) based approach that utilizes a variational autoencoder (VAE), a type of deep neural network with a narrow layer in the middle, to compress bathymetry and flow velocity information and accelerate bathymetry inverse problems from flow velocity measurements. In our application, the shallow-water equations (SWE) with appropriate boundary conditions (BCs), e.g., the discharge and/or the free surface elevation, constitute the forward problem, to predict flow velocity. Then, ROMs of the SWEs are constructed on a nonlinear manifold of low dimensionality through a variational encoder. Estimation with uncertainty quantification (UQ) is performed on the low-dimensional latent space in a Bayesian setting. We have tested our inversion approach on a one-mile reach of the Savannah River, GA, USA. Once the neural network is trained (offline stage), the proposed technique can perform the inversion operation orders of magnitude faster than traditional inversion methods that are commonly based on linear projections, such as principal component analysis (PCA), or the principal component geostatistical approach (PCGA). Furthermore, tests show that the algorithm can estimate the bathymetry with good accuracy even with sparse flow velocity measurements.

A well-studied challenge that arises in the structure learning problem of causal directed acyclic graphs (DAG) is that using observational data, one can only learn the graph up to a "Markov equivalence class" (MEC). The remaining undirected edges have to be oriented using interventions, which can be very expensive to perform in applications. Thus, the problem of minimizing the number of interventions needed to fully orient the MEC has received a lot of recent attention, and is also the focus of this work. We prove two main results. The first is a new universal lower bound on the number of atomic interventions that any algorithm (whether active or passive) would need to perform in order to orient a given MEC. Our second result shows that this bound is, in fact, within a factor of two of the size of the smallest set of atomic interventions that can orient the MEC. Our lower bound is provably better than previously known lower bounds. The proof of our lower bound is based on the new notion of clique-block shared-parents (CBSP) orderings, which are topological orderings of DAGs without v-structures and satisfy certain special properties. Further, using simulations on synthetic graphs and by giving examples of special graph families, we show that our bound is often significantly better.

In many contexts it is useful to predict the number of individuals in some population who will initiate a particular activity during a given period. For example, the number of users who will install a software update, the number of customers who will use a new feature on a website or who will participate in an A/B test. In practical settings, there is heterogeneity amongst individuals with regard to the distribution of time until they will initiate. For these reasons it is inappropriate to assume that the number of new individuals observed on successive days will be identically distributed. Given observations on the number of unique users participating in an initial period, we present a simple but novel Bayesian method for predicting the number of additional individuals who will subsequently participate during a subsequent period. We illustrate the performance of the method in predicting sample size in online experimentation.

Inference in deep Bayesian neural networks is only fully understood in the infinite-width limit, where the posterior flexibility afforded by increased depth washes out and the posterior predictive collapses to a shallow Gaussian process. Here, we interpret finite deep linear Bayesian neural networks as data-dependent scale mixtures of Gaussian process predictors across output channels. We leverage this observation to study representation learning in these networks, allowing us to connect limiting results obtained in previous studies within a unified framework. In total, these results advance our analytical understanding of how depth affects inference in a simple class of Bayesian neural networks.

Although neural networks are powerful function approximators, the underlying modelling assumptions ultimately define the likelihood and thus the hypothesis class they are parameterizing. In classification, these assumptions are minimal as the commonly employed softmax is capable of representing any categorical distribution. In regression, however, restrictive assumptions on the type of continuous distribution to be realized are typically placed, like the dominant choice of training via mean-squared error and its underlying Gaussianity assumption. Recently, modelling advances allow to be agnostic to the type of continuous distribution to be modelled, granting regression the flexibility of classification models. While past studies stress the benefit of such flexible regression models in terms of performance, here we study the effect of the model choice on uncertainty estimation. We highlight that under model misspecification, aleatoric uncertainty is not properly captured, and that a Bayesian treatment of a misspecified model leads to unreliable epistemic uncertainty estimates. Overall, our study provides an overview on how modelling choices in regression may influence uncertainty estimation and thus any downstream decision making process.

A prominent problem in knowledge representation is how to answer queries taking into account also the implicit consequences of an ontology representing domain knowledge. While this problem has been widely studied within the realm of description logic ontologies, it has been surprisingly neglected within the context of vague or imprecise knowledge, particularly from the point of view of mathematical fuzzy logic. In this paper we study the problem of answering conjunctive queries and threshold queries w.r.t. ontologies in fuzzy DL-Lite. Specifically, we show through a rewriting approach that threshold query answering w.r.t. consistent ontologies remains in $AC_0$ in data complexity, but that conjunctive query answering is highly dependent on the selected triangular norm, which has an impact on the underlying semantics. For the idempodent G\"odel t-norm, we provide an effective method based on a reduction to the classical case. This paper is under consideration in Theory and Practice of Logic Programming (TPLP).

Several problems in neuroimaging and beyond require inference on the parameters of multi-task sparse hierarchical regression models. Examples include M/EEG inverse problems, neural encoding models for task-based fMRI analyses, and climate science. In these domains, both the model parameters to be inferred and the measurement noise may exhibit a complex spatio-temporal structure. Existing work either neglects the temporal structure or leads to computationally demanding inference schemes. Overcoming these limitations, we devise a novel flexible hierarchical Bayesian framework within which the spatio-temporal dynamics of model parameters and noise are modeled to have Kronecker product covariance structure. Inference in our framework is based on majorization-minimization optimization and has guaranteed convergence properties. Our highly efficient algorithms exploit the intrinsic Riemannian geometry of temporal autocovariance matrices. For stationary dynamics described by Toeplitz matrices, the theory of circulant embeddings is employed. We prove convex bounding properties and derive update rules of the resulting algorithms. On both synthetic and real neural data from M/EEG, we demonstrate that our methods lead to improved performance.