Standard GPs offer a flexible modelling tool for well-behaved processes. However, deviations from Gaussianity are expected to appear in real world datasets, with structural outliers and shocks routinely observed. In these cases GPs can fail to model uncertainty adequately and may over-smooth inferences. Here we extend the GP framework into a new class of time-changed GPs that allow for straightforward modelling of heavy-tailed non-Gaussian behaviours, while retaining a tractable conditional GP structure through an infinite mixture of non-homogeneous GPs representation. The conditional GP structure is obtained by conditioning the observations on a latent transformed input space and the random evolution of the latent transformation is modelled using a L\'{e}vy process which allows Bayesian inference in both the posterior predictive density and the latent transformation function. We present Markov chain Monte Carlo inference procedures for this model and demonstrate the potential benefits compared to a standard GP.

Physics-constrained machine learning is emerging as an important topic in the field of machine learning for physics. One of the most significant advantages of incorporating physics constraints into machine learning methods is that the resulting model requires significantly less data to train. By incorporating physical rules into the machine learning formulation itself, the predictions are expected to be physically plausible. Gaussian process (GP) is perhaps one of the most common methods in machine learning for small datasets. In this paper, we investigate the possibility of constraining a GP formulation with monotonicity on three different material datasets, where one experimental and two computational datasets are used. The monotonic GP is compared against the regular GP, where a significant reduction in the posterior variance is observed. The monotonic GP is strictly monotonic in the interpolation regime, but in the extrapolation regime, the monotonic effect starts fading away as one goes beyond the training dataset. Imposing monotonicity on the GP comes at a small accuracy cost, compared to the regular GP. The monotonic GP is perhaps most useful in applications where data is scarce and noisy, and monotonicity is supported by strong physical evidence.

Answering complex first-order logic (FOL) queries on knowledge graphs is a fundamental task for multi-hop reasoning. Traditional symbolic methods traverse a complete knowledge graph to extract the answers, which provides good interpretation for each step. Recent neural methods learn geometric embeddings for complex queries. These methods can generalize to incomplete knowledge graphs, but their reasoning process is hard to interpret. In this paper, we propose Graph Neural Network Query Executor (GNN-QE), a neural-symbolic model that enjoys the advantages of both worlds. GNN-QE decomposes a complex FOL query into relation projections and logical operations over fuzzy sets, which provides interpretability for intermediate variables. To reason about the missing links, GNN-QE adapts a graph neural network from knowledge graph completion to execute the relation projections, and models the logical operations with product fuzzy logic. Experiments on 3 datasets show that GNN-QE significantly improves over previous state-of-the-art models in answering FOL queries. Meanwhile, GNN-QE can predict the number of answers without explicit supervision, and provide visualizations for intermediate variables.

In this paper, we present a Model-Based Reinforcement Learning (MBRL) algorithm named \emph{Monte Carlo Probabilistic Inference for Learning COntrol} (MC-PILCO). The algorithm relies on Gaussian Processes (GPs) to model the system dynamics and on a Monte Carlo approach to estimate the policy gradient. This defines a framework in which we ablate the choice of the following components: (i) the selection of the cost function, (ii) the optimization of policies using dropout, (iii) an improved data efficiency through the use of structured kernels in the GP models. The combination of the aforementioned aspects affects dramatically the performance of MC-PILCO. Numerical comparisons in a simulated cart-pole environment show that MC-PILCO exhibits better data efficiency and control performance w.r.t. state-of-the-art GP-based MBRL algorithms. Finally, we apply MC-PILCO to real systems, considering in particular systems with partially measurable states. We discuss the importance of modeling both the measurement system and the state estimators during policy optimization. The effectiveness of the proposed solutions has been tested in simulation and on two real systems, a Furuta pendulum and a ball-and-plate rig.

Estimating uncertainty is at the core of performing scientific measurements in HEP: a measurement is not useful without an estimate of its uncertainty. The goal of uncertainty quantification (UQ) is inextricably linked to the question, "how do we physically and statistically interpret these uncertainties?" The answer to this question depends not only on the computational task we aim to undertake, but also on the methods we use for that task. For artificial intelligence (AI) applications in HEP, there are several areas where interpretable methods for UQ are essential, including inference, simulation, and control/decision-making. There exist some methods for each of these areas, but they have not yet been demonstrated to be as trustworthy as more traditional approaches currently employed in physics (e.g., non-AI frequentist and Bayesian methods). Shedding light on the questions above requires additional understanding of the interplay of AI systems and uncertainty quantification. We briefly discuss the existing methods in each area and relate them to tasks across HEP. We then discuss recommendations for avenues to pursue to develop the necessary techniques for reliable widespread usage of AI with UQ over the next decade.

Maximum Probability Framework, powered by Maximum Probability Theorem, is a recent theoretical development in artificial intelligence, aiming to formally define probabilistic models, guiding development of objective functions, and regularization of probabilistic models. MPT uses the probability distribution that the models assume on random variables to provide an upper bound on the probability of the model. We apply MPT to challenging out-of-distribution (OOD) detection problems in computer vision by incorporating MPT as a regularization scheme in the training of CNNs and their energy-based variants. We demonstrate the effectiveness of the proposed method on 1080 trained models, with varying hyperparameters, and conclude that the MPT-based regularization strategy stabilizes and improves the generalization and robustness of base models in addition to enhanced OOD performance on CIFAR10, CIFAR100, and MNIST datasets.

Semantic mapping complements geometric modelling of a Mapping, localization and navigation are among the key robot's surroundings with semantic concepts, i.e., an understanding capabilities of autonomous systems. For robots to navigate of what the environment means to the robot. With safely in complex and evolving environments, mapping semantic mapping, these semantic concepts manifest as a can act as a unified framework that addresses multiple representation of the environment, thus lending robots more perception sub-tasks required for a higher-level scene understanding, resources for task planning and execution. The emergence of such as occupancy/traversability estimation, object semantic mapping can be attributed to (i) the limitations of detection and tracking. While some research streams employ purely geometric maps, and (ii) the advancements in deep end-to-end deep neural networks for mapless navigation via neural networks that allow semantic interpretation of raw imitation [1], [2], reinforcement [3], [4] or self-supervised sensory data [6].

In this paper, we present a Bayesian method for statistical model checking (SMC) of probabilistic hyperproperties specified in the logic HyperPCTL* on discrete-time Markov chains (DTMCs). While SMC of HyperPCTL* using sequential probability ratio test (SPRT) has been explored before, we develop an alternative SMC algorithm based on Bayesian hypothesis testing. In comparison to PCTL*, verifying HyperPCTL* formulae is complex owing to their simultaneous interpretation on multiple paths of the DTMC. In addition, extending the bottom-up model-checking algorithm of the non-probabilistic setting is not straight forward due to the fact that SMC does not return exact answers to the satisfiability problems of subformulae, instead, it only returns correct answers with high-confidence. We propose a recursive algorithm for SMC of HyperPCTL* based on a modified Bayes' test that factors in the uncertainty in the recursive satisfiability results. We have implemented our algorithm in a Python toolbox, HyProVer, and compared our approach with the SPRT based SMC. Our experimental evaluation demonstrates that our Bayesian SMC algorithm performs better both in terms of the verification time and the number of samples required to deduce satisfiability of a given HyperPCTL* formula.

Probabilistic graphical models are a powerful concept for modeling high-dimensional distributions. Besides modeling distributions, probabilistic graphical models also provide an elegant framework for performing statistical inference; because of the high-dimensional nature, however, one must often use approximate methods for this purpose. Belief propagation performs approximate inference, is efficient, and looks back on a long success-story. Yet, in most cases, belief propagation lacks any performance and convergence guarantees. Many realistic problems are presented by graphical models with loops, however, in which case belief propagation is neither guaranteed to provide accurate estimates nor that it converges at all. This thesis investigates how the model parameters influence the performance of belief propagation. We are particularly interested in their influence on (i) the number of fixed points, (ii) the convergence properties, and (iii) the approximation quality.

The estimation of coverage probabilities, and in particular of the missing mass, is a classical statistical problem with applications in numerous scientific fields. In this paper, we study this problem in relation to randomized data compression, or sketching. This is a novel but practically relevant perspective, and it refers to situations in which coverage probabilities must be estimated based on a compressed and imperfect summary, or sketch, of the true data, because neither the full data nor the empirical frequencies of distinct symbols can be observed directly. Our contribution is a Bayesian nonparametric methodology to estimate coverage probabilities from data sketched through random hashing, which also solves the challenging problems of recovering the numbers of distinct counts in the true data and of distinct counts with a specified empirical frequency of interest. The proposed Bayesian estimators are shown to be easily applicable to large-scale analyses in combination with a Dirichlet process prior, although they involve some open computational challenges under the more general Pitman-Yor process prior. The empirical effectiveness of our methodology is demonstrated through numerical experiments and applications to real data sets of Covid DNA sequences, classic English literature, and IP addresses.