This thesis focuses on data that has complex spatio-temporal structure and on probabilistic graphical models that learn the structure in an interpretable and scalable manner. We target two research areas of interest: Gaussian graphical models for tensor-variate data and summarization of complex time-varying texts using topic models. This work advances the state-of-the-art in several directions. First, it introduces a new class of tensor-variate Gaussian graphical models via the Sylvester tensor equation. Second, it develops an optimization technique based on a fast-converging proximal alternating linearized minimization method, which scales tensor-variate Gaussian graphical model estimations to modern big-data settings. Third, it connects Kronecker-structured (inverse) covariance models with spatio-temporal partial differential equations (PDEs) and introduces a new framework for ensemble Kalman filtering that is capable of tracking chaotic physical systems. Fourth, it proposes a modular and interpretable framework for unsupervised and weakly-supervised probabilistic topic modeling of time-varying data that combines generative statistical models with computational geometric methods. Throughout, practical applications of the methodology are considered using real datasets. This includes brain-connectivity analysis using EEG data, space weather forecasting using solar imaging data, longitudinal analysis of public opinions using Twitter data, and mining of mental health related issues using TalkLife data. We show in each case that the graphical modeling framework introduced here leads to improved interpretability, accuracy, and scalability.

The problem of jointly analysing functional connectomics and behavioral data is extremely challenging owing to the complex interactions between the two domains. In addition, clinical rs-fMRI studies often have to contend with limited samples, especially in the case of rare disorders. This data-starved regimen can severely restrict the reliability of classical machine learning or deep learning designed to predict behavior from connectivity data. In this work, we approach this problem from the lens of representation learning and bayesian modeling. To model the distributional characteristics of the domains, we first examine the ability of approaches such as Bayesian Linear Regression, Stochastic Search Variable Selection after performing a classical covariance decomposition. Finally, we present a fully bayesian formulation for joint representation learning and prediction.

Separation logic and its variants can describe various properties on pointer programs. However, when it comes to properties on sequences, one may find it hard to formalize. To deal with properties on variable-length sequences and multilevel data structures, we propose sequence-heap separation logic which integrates sequences into logical reasoning on heap-manipulated programs. Quantifiers over sequence variables and singleton heap storing sequence (sequence singleton heap) are new members in our logic. Further, we study the satisfiability problem of two fragments. The propositional fragment of sequence-heap separation logic is decidable, and the fragment with 2 alternations on program variables and 1 alternation on sequence variables is undecidable. In addition, we explore boundaries between decidable and undecidable fragments of the logic with prenex normal form.

The goal of sequential event prediction is to estimate the next event based on a sequence of historical events, with applications to sequential recommendation, user behavior analysis and clinical treatment. In practice, the next-event prediction models are trained with sequential data collected at one time and need to generalize to newly arrived sequences in remote future, which requires models to handle temporal distribution shift from training to testing. In this paper, we first take a data-generating perspective to reveal a negative result that existing approaches with maximum likelihood estimation would fail for distribution shift due to the latent context confounder, i.e., the common cause for the historical events and the next event. Then we devise a new learning objective based on backdoor adjustment and further harness variational inference to make it tractable for sequence learning problems. On top of that, we propose a framework with hierarchical branching structures for learning context-specific representations. Comprehensive experiments on diverse tasks (e.g., sequential recommendation) demonstrate the effectiveness, applicability and scalability of our method with various off-the-shelf models as backbones.

Recent advances in coreset methods have shown that a selection of representative datapoints can replace massive volumes of data for Bayesian inference, preserving the relevant statistical information and significantly accelerating subsequent downstream tasks. Existing variational coreset constructions rely on either selecting subsets of the observed datapoints, or jointly performing approximate inference and optimizing pseudodata in the observed space akin to inducing points methods in Gaussian Processes. So far, both approaches are limited by complexities in evaluating their objectives for general purpose models, and require generating samples from a typically intractable posterior over the coreset throughout inference and testing. In this work, we present a black-box variational inference framework for coresets that overcomes these constraints and enables principled application of variational coresets to intractable models, such as Bayesian neural networks. We apply our techniques to supervised learning problems, and compare them with existing approaches in the literature for data summarization and inference.

Creating autonomous robots that can actively explore the environment, acquire knowledge and learn skills continuously is the ultimate achievement envisioned in cognitive and developmental robotics. Their learning processes should be based on interactions with their physical and social world in the manner of human learning and cognitive development. Based on this context, in this paper, we focus on the two concepts of world models and predictive coding. Recently, world models have attracted renewed attention as a topic of considerable interest in artificial intelligence. Cognitive systems learn world models to better predict future sensory observations and optimize their policies, i.e., controllers. Alternatively, in neuroscience, predictive coding proposes that the brain continuously predicts its inputs and adapts to model its own dynamics and control behavior in its environment. Both ideas may be considered as underpinning the cognitive development of robots and humans capable of continual or lifelong learning. Although many studies have been conducted on predictive coding in cognitive robotics and neurorobotics, the relationship between world model-based approaches in AI and predictive coding in robotics has rarely been discussed. Therefore, in this paper, we clarify the definitions, relationships, and status of current research on these topics, as well as missing pieces of world models and predictive coding in conjunction with crucially related concepts such as the free-energy principle and active inference in the context of cognitive and developmental robotics. Furthermore, we outline the frontiers and challenges involved in world models and predictive coding toward the further integration of AI and robotics, as well as the creation of robots with real cognitive and developmental capabilities in the future.

In many scientific research and engineering applications where repeated simulations of complex systems are conducted, a surrogate is commonly adopted to quickly estimate the whole system. To reduce the expensive cost of generating training examples, it has become a promising approach to combine the results of low-fidelity (fast but inaccurate) and high-fidelity (slow but accurate) simulations. Despite the fast developments of multi-fidelity fusion techniques, most existing methods require particular data structures and do not scale well to high-dimensional output. To resolve these issues, we generalize the classic autoregression (AR), which is wildly used due to its simplicity, robustness, accuracy, and tractability, and propose generalized autoregression (GAR) using tensor formulation and latent features. GAR can deal with arbitrary dimensional outputs and arbitrary multifidelity data structure to satisfy the demand of multi-fidelity fusion for complex problems; it admits a fully tractable likelihood and posterior requiring no approximate inference and scales well to high-dimensional problems. Furthermore, we prove the autokrigeability theorem based on GAR in the multi-fidelity case and develop CIGAR, a simplified GAR with the exact predictive mean accuracy with computation reduction by a factor of d 3, where d is the dimensionality of the output. The empirical assessment includes many canonical PDEs and real scientific examples and demonstrates that the proposed method consistently outperforms the SOTA methods with a large margin (up to 6x improvement in RMSE) with only a couple high-fidelity training samples.

Polynomial chaos expansion (PCE) is a versatile tool widely used in uncertainty quantification and machine learning, but its successful application depends strongly on the accuracy and reliability of the resulting PCE-based response surface. High accuracy typically requires high polynomial degrees, demanding many training points especially in high-dimensional problems through the curse of dimensionality. So-called sparse PCE concepts work with a much smaller selection of basis polynomials compared to conventional PCE approaches and can overcome the curse of dimensionality very efficiently, but have to pay specific attention to their strategies of choosing training points. Furthermore, the approximation error resembles an uncertainty that most existing PCE-based methods do not estimate. In this study, we develop and evaluate a fully Bayesian approach to establish the PCE representation via joint shrinkage priors and Markov chain Monte Carlo. The suggested Bayesian PCE model directly aims to solve the two challenges named above: achieving a sparse PCE representation and estimating uncertainty of the PCE itself. The embedded Bayesian regularizing via the joint shrinkage prior allows using higher polynomial degrees for given training points due to its ability to handle underdetermined situations, where the number of considered PCE coefficients could be much larger than the number of available training points. We also explore multiple variable selection methods to construct sparse PCE expansions based on the established Bayesian representations, while globally selecting the most meaningful orthonormal polynomials given the available training data. We demonstrate the advantages of our Bayesian PCE and the corresponding sparsity-inducing methods on several benchmarks.

Recently, fitting probabilistic models have gained importance in many areas but estimation of such distributional models with very large data sets is a difficult task. In particular, the use of rather complex models can easily lead to memory-related efficiency problems that can make estimation infeasible even on high-performance computers. We therefore propose a novel backfitting algorithm, which is based on the ideas of stochastic gradient descent and can deal virtually with any amount of data on a conventional laptop. The algorithm performs automatic selection of variables and smoothing parameters, and its performance is in most cases superior or at least equivalent to other implementations for structured additive distributional regression, e.g., gradient boosting, while maintaining low computation time. Performance is evaluated using an extensive simulation study and an exceptionally challenging and unique example of lightning count prediction over Austria. A very large dataset with over 9 million observations and 80 covariates is used, so that a prediction model cannot be estimated with standard distributional regression methods but with our new approach.

An important feature of pervasive, intelligent assistance systems is the ability to dynamically adapt to the current needs of their users. Hence, it is critical for such systems to be able to recognize those goals and needs based on observations of the user's actions and state of the environment. In this work, we investigate the application of two state-of-the-art, planning-based plan recognition approaches in a real-world setting. So far, these approaches were only evaluated in artificial settings in combination with agents that act perfectly rational. We show that such approaches have difficulties when used to recognize the goals of human subjects, because human behaviour is typically not perfectly rational. To overcome this issue, we propose an extension to the existing approaches through a classification-based method trained on observed behaviour data. We empirically show that the proposed extension not only outperforms the purely planning-based- and purely data-driven goal recognition methods but is also able to recognize the correct goal more reliably, especially when only a small number of observations were seen. This substantially improves the usefulness of hybrid goal recognition approaches for intelligent assistance systems, as recognizing a goal early opens much more possibilities for supportive reactions of the system.