In this chapter, we identify fundamental geometric structures that underlie the problems of sampling, optimisation, inference and adaptive decision-making. Based on this identification, we derive algorithms that exploit these geometric structures to solve these problems efficiently. We show that a wide range of geometric theories emerge naturally in these fields, ranging from measure-preserving processes, information divergences, Poisson geometry, and geometric integration. Specifically, we explain how (i) leveraging the symplectic geometry of Hamiltonian systems enable us to construct (accelerated) sampling and optimisation methods, (ii) the theory of Hilbertian subspaces and Stein operators provides a general methodology to obtain robust estimators, (iii) preserving the information geometry of decision-making yields adaptive agents that perform active inference. Throughout, we emphasise the rich connections between these fields; e.g., inference draws on sampling and optimisation, and adaptive decision-making assesses decisions by inferring their counterfactual consequences. Our exposition provides a conceptual overview of underlying ideas, rather than a technical discussion, which can be found in the references herein.

In modern autonomy stacks, prediction modules are paramount to planning motions in the presence of other mobile agents. However, failures in prediction modules can mislead the downstream planner into making unsafe decisions. Indeed, the high uncertainty inherent to the task of trajectory forecasting ensures that such mispredictions occur frequently. Motivated by the need to improve safety of autonomous vehicles without compromising on their performance, we develop a probabilistic run-time monitor that detects when a "harmful" prediction failure occurs, i.e., a task-relevant failure detector. We achieve this by propagating trajectory prediction errors to the planning cost to reason about their impact on the AV. Furthermore, our detector comes equipped with performance measures on the false-positive and the false-negative rate and allows for data-free calibration. In our experiments we compared our detector with various others and found that our detector has the highest area under the receiver operator characteristic curve.

This paper investigates the collaboration of multiple connected and automated vehicles (CAVs) in different scenarios. In general, the collaboration of CAVs can be formulated as a nonlinear and nonconvex model predictive control (MPC) problem. Most of the existing approaches available for utilization to solve such an optimization problem suffer from the drawback of considerable computational burden, which hinders the practical implementation in real time. This paper proposes the use of sequential convex programming (SCP), which is a powerful approach to solving the nonlinear and nonconvex MPC problem in real time. To appropriately deploy the methodology, as a first stage, SCP requires linearization and discretization when addressing the nonlinear dynamics of the system model adequately. Based on the linearization and discretization, the original MPC problem can be transformed into a quadratically constrained quadratic programming (QCQP) problem. Besides, SCP also involves convexification to handle the associated nonconvex constraints. Thus, the nonconvex QCQP can be reduced to a quadratic programming (QP) problem that can be solved rather quickly. Therefore, the computational efficiency is suitably improved despite the existence of nonlinear and nonconvex characteristics, whereby the implementation is realized in real time. Furthermore, simulation results in three different scenarios of autonomous driving are presented to validate the effectiveness and efficiency of our proposed approach.

In urban environments, the complex and uncertain intersection scenarios are challenging for autonomous driving. To ensure safety, it is crucial to develop an adaptive decision making system that can handle the interaction with other vehicles. Manually designed model-based methods are reliable in common scenarios. But in uncertain environments, they are not reliable, so learning-based methods are proposed, especially reinforcement learning (RL) methods. However, current RL methods need retraining when the scenarios change. In other words, current RL methods cannot reuse accumulated knowledge. They forget learned knowledge when new scenarios are given. To solve this problem, we propose a hierarchical framework that can autonomously accumulate and reuse knowledge. The proposed method combines the idea of motion primitives (MPs) with hierarchical reinforcement learning (HRL). It decomposes complex problems into multiple basic subtasks to reduce the difficulty. The proposed method and other baseline methods are tested in a challenging intersection scenario based on the CARLA simulator. The intersection scenario contains three different subtasks that can reflect the complexity and uncertainty of real traffic flow. After offline learning and testing, the proposed method is proved to have the best performance among all methods.

Optimal execution is a sequential decision-making problem for cost-saving in algorithmic trading. Studies have found that reinforcement learning (RL) can help decide the order-splitting sizes. However, a problem remains unsolved: how to place limit orders at appropriate limit prices? The key challenge lies in the "continuous-discrete duality" of the action space. On the one hand, the continuous action space using percentage changes in prices is preferred for generalization. On the other hand, the trader eventually needs to choose limit prices discretely due to the existence of the tick size, which requires specialization for every single stock with different characteristics (e.g., the liquidity and the price range). So we need continuous control for generalization and discrete control for specialization. To this end, we propose a hybrid RL method to combine the advantages of both of them. We first use a continuous control agent to scope an action subset, then deploy a fine-grained agent to choose a specific limit price. Extensive experiments show that our method has higher sample efficiency and better training stability than existing RL algorithms and significantly outperforms previous learning-based methods for order execution.

In dynamical systems, it is advantageous to identify regions of flow which can exhibit maximal influence on nearby behaviour. Hyperbolic Lagrangian Coherent Structures have been introduced to obtain two-dimensional surfaces which maximise repulsion or attraction in three-dimensional dynamical systems with arbitrary time-dependence. However, the numerical method to compute them requires obtaining derivatives associated with the system, often performed through the approximation of divided differences, which can lead to significant numerical error and numerical noise. In this paper, we introduce a novel method for the numerical calculation of hyperbolic Lagrangian Coherent Structures using Differential Algebra called DA-LCS. As a form of automatic forward differentiation, it allows direct computation of the Taylor expansion of the flow, its derivatives, and the eigenvectors of the associated strain tensor, with all derivatives obtained algebraically and to machine precision. It does so without a priori information about the system, such as variational equations or explicit derivatives. We demonstrate that this can provide significant improvements in the accuracy of the Lagrangian Coherent Structures identified compared to finite-differencing methods in a series of test cases drawn from the literature. We also show how DA-LCS uncovers additional dynamical behaviour in a real-world example drawn from astrodynamics.

Vehicle Routing Problems (VRPs) in real-world applications often come with various constraints, therefore bring additional computational challenges to exact solution methods or heuristic search approaches. The recent idea to learn heuristic move patterns from sample data has become increasingly promising to reduce solution developing costs. However, using learning-based approaches to address more types of constrained VRP remains a challenge. The difficulty lies in controlling for constraint violations while searching for optimal solutions. To overcome this challenge, we propose a Reinforcement Learning based method to solve soft-constrained VRPs by incorporating the Lagrangian relaxation technique and using constrained policy optimization. We apply the method on three common types of VRPs, the Travelling Salesman Problem with Time Windows (TSPTW), the Capacitated VRP (CVRP) and the Capacitated VRP with Time Windows (CVRPTW), to show the generalizability of the proposed method. After comparing to existing RL-based methods and open-source heuristic solvers, we demonstrate its competitive performance in finding solutions with a good balance in travel distance, constraint violations and inference speed.

The capacity sharing problem in Radio Access Network (RAN) slicing deals with the distribution of the capacity available in each RAN node among various RAN slices to satisfy their traffic demands and efficiently use the radio resources. While several capacity sharing algorithmic solutions have been proposed in the literature, their practical implementation still remains as a gap. In this paper, the implementation of a Reinforcement Learning-based capacity sharing algorithm over the O-RAN architecture is discussed, providing insights into the operation of the involved interfaces and the containerization of the solution. Moreover, the description of the testbed implemented to validate the solution is included and some performance and validation results are presented.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

Deployment of Internet of Things (IoT) devices and Data Fusion techniques have gained popularity in public and government domains. This usually requires capturing and consolidating data from multiple sources. As datasets do not necessarily originate from identical sensors, fused data typically results in a complex data problem. Because military is investigating how heterogeneous IoT devices can aid processes and tasks, we investigate a multi-sensor approach. Moreover, we propose a signal to image encoding approach to transform information (signal) to integrate (fuse) data from IoT wearable devices to an image which is invertible and easier to visualize supporting decision making. Furthermore, we investigate the challenge of enabling an intelligent identification and detection operation and demonstrate the feasibility of the proposed Deep Learning and Anomaly Detection models that can support future application that utilizes hand gesture data from wearable devices.

In this chapter, we identify fundamental geometric structures that underlie the problems of sampling, optimisation, inference and adaptive decision-making. Based on this identification, we derive algorithms that exploit these geometric structures to solve these problems efficiently. We show that a wide range of geometric theories emerge naturally in these fields, ranging from measure-preserving processes, information divergences, Poisson geometry, and geometric integration. Specifically, we explain how (i) leveraging the symplectic geometry of Hamiltonian systems enable us to construct (accelerated) sampling and optimisation methods, (ii) the theory of Hilbertian subspaces and Stein operators provides a general methodology to obtain robust estimators, (iii) preserving the information geometry of decision-making yields adaptive agents that perform active inference. Throughout, we emphasise the rich connections between these fields; e.g., inference draws on sampling and optimisation, and adaptive decision-making assesses decisions by inferring their counterfactual consequences. Our exposition provides a conceptual overview of underlying ideas, rather than a technical discussion, which can be found in the references herein.

In modern autonomy stacks, prediction modules are paramount to planning motions in the presence of other mobile agents. However, failures in prediction modules can mislead the downstream planner into making unsafe decisions. Indeed, the high uncertainty inherent to the task of trajectory forecasting ensures that such mispredictions occur frequently. Motivated by the need to improve safety of autonomous vehicles without compromising on their performance, we develop a probabilistic run-time monitor that detects when a "harmful" prediction failure occurs, i.e., a task-relevant failure detector. We achieve this by propagating trajectory prediction errors to the planning cost to reason about their impact on the AV. Furthermore, our detector comes equipped with performance measures on the false-positive and the false-negative rate and allows for data-free calibration. In our experiments we compared our detector with various others and found that our detector has the highest area under the receiver operator characteristic curve.

This paper investigates the collaboration of multiple connected and automated vehicles (CAVs) in different scenarios. In general, the collaboration of CAVs can be formulated as a nonlinear and nonconvex model predictive control (MPC) problem. Most of the existing approaches available for utilization to solve such an optimization problem suffer from the drawback of considerable computational burden, which hinders the practical implementation in real time. This paper proposes the use of sequential convex programming (SCP), which is a powerful approach to solving the nonlinear and nonconvex MPC problem in real time. To appropriately deploy the methodology, as a first stage, SCP requires linearization and discretization when addressing the nonlinear dynamics of the system model adequately. Based on the linearization and discretization, the original MPC problem can be transformed into a quadratically constrained quadratic programming (QCQP) problem. Besides, SCP also involves convexification to handle the associated nonconvex constraints. Thus, the nonconvex QCQP can be reduced to a quadratic programming (QP) problem that can be solved rather quickly. Therefore, the computational efficiency is suitably improved despite the existence of nonlinear and nonconvex characteristics, whereby the implementation is realized in real time. Furthermore, simulation results in three different scenarios of autonomous driving are presented to validate the effectiveness and efficiency of our proposed approach.

In urban environments, the complex and uncertain intersection scenarios are challenging for autonomous driving. To ensure safety, it is crucial to develop an adaptive decision making system that can handle the interaction with other vehicles. Manually designed model-based methods are reliable in common scenarios. But in uncertain environments, they are not reliable, so learning-based methods are proposed, especially reinforcement learning (RL) methods. However, current RL methods need retraining when the scenarios change. In other words, current RL methods cannot reuse accumulated knowledge. They forget learned knowledge when new scenarios are given. To solve this problem, we propose a hierarchical framework that can autonomously accumulate and reuse knowledge. The proposed method combines the idea of motion primitives (MPs) with hierarchical reinforcement learning (HRL). It decomposes complex problems into multiple basic subtasks to reduce the difficulty. The proposed method and other baseline methods are tested in a challenging intersection scenario based on the CARLA simulator. The intersection scenario contains three different subtasks that can reflect the complexity and uncertainty of real traffic flow. After offline learning and testing, the proposed method is proved to have the best performance among all methods.

Optimal execution is a sequential decision-making problem for cost-saving in algorithmic trading. Studies have found that reinforcement learning (RL) can help decide the order-splitting sizes. However, a problem remains unsolved: how to place limit orders at appropriate limit prices? The key challenge lies in the "continuous-discrete duality" of the action space. On the one hand, the continuous action space using percentage changes in prices is preferred for generalization. On the other hand, the trader eventually needs to choose limit prices discretely due to the existence of the tick size, which requires specialization for every single stock with different characteristics (e.g., the liquidity and the price range). So we need continuous control for generalization and discrete control for specialization. To this end, we propose a hybrid RL method to combine the advantages of both of them. We first use a continuous control agent to scope an action subset, then deploy a fine-grained agent to choose a specific limit price. Extensive experiments show that our method has higher sample efficiency and better training stability than existing RL algorithms and significantly outperforms previous learning-based methods for order execution.

In dynamical systems, it is advantageous to identify regions of flow which can exhibit maximal influence on nearby behaviour. Hyperbolic Lagrangian Coherent Structures have been introduced to obtain two-dimensional surfaces which maximise repulsion or attraction in three-dimensional dynamical systems with arbitrary time-dependence. However, the numerical method to compute them requires obtaining derivatives associated with the system, often performed through the approximation of divided differences, which can lead to significant numerical error and numerical noise. In this paper, we introduce a novel method for the numerical calculation of hyperbolic Lagrangian Coherent Structures using Differential Algebra called DA-LCS. As a form of automatic forward differentiation, it allows direct computation of the Taylor expansion of the flow, its derivatives, and the eigenvectors of the associated strain tensor, with all derivatives obtained algebraically and to machine precision. It does so without a priori information about the system, such as variational equations or explicit derivatives. We demonstrate that this can provide significant improvements in the accuracy of the Lagrangian Coherent Structures identified compared to finite-differencing methods in a series of test cases drawn from the literature. We also show how DA-LCS uncovers additional dynamical behaviour in a real-world example drawn from astrodynamics.

Vehicle Routing Problems (VRPs) in real-world applications often come with various constraints, therefore bring additional computational challenges to exact solution methods or heuristic search approaches. The recent idea to learn heuristic move patterns from sample data has become increasingly promising to reduce solution developing costs. However, using learning-based approaches to address more types of constrained VRP remains a challenge. The difficulty lies in controlling for constraint violations while searching for optimal solutions. To overcome this challenge, we propose a Reinforcement Learning based method to solve soft-constrained VRPs by incorporating the Lagrangian relaxation technique and using constrained policy optimization. We apply the method on three common types of VRPs, the Travelling Salesman Problem with Time Windows (TSPTW), the Capacitated VRP (CVRP) and the Capacitated VRP with Time Windows (CVRPTW), to show the generalizability of the proposed method. After comparing to existing RL-based methods and open-source heuristic solvers, we demonstrate its competitive performance in finding solutions with a good balance in travel distance, constraint violations and inference speed.

The capacity sharing problem in Radio Access Network (RAN) slicing deals with the distribution of the capacity available in each RAN node among various RAN slices to satisfy their traffic demands and efficiently use the radio resources. While several capacity sharing algorithmic solutions have been proposed in the literature, their practical implementation still remains as a gap. In this paper, the implementation of a Reinforcement Learning-based capacity sharing algorithm over the O-RAN architecture is discussed, providing insights into the operation of the involved interfaces and the containerization of the solution. Moreover, the description of the testbed implemented to validate the solution is included and some performance and validation results are presented.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

Deployment of Internet of Things (IoT) devices and Data Fusion techniques have gained popularity in public and government domains. This usually requires capturing and consolidating data from multiple sources. As datasets do not necessarily originate from identical sensors, fused data typically results in a complex data problem. Because military is investigating how heterogeneous IoT devices can aid processes and tasks, we investigate a multi-sensor approach. Moreover, we propose a signal to image encoding approach to transform information (signal) to integrate (fuse) data from IoT wearable devices to an image which is invertible and easier to visualize supporting decision making. Furthermore, we investigate the challenge of enabling an intelligent identification and detection operation and demonstrate the feasibility of the proposed Deep Learning and Anomaly Detection models that can support future application that utilizes hand gesture data from wearable devices.