In many real-world scenarios, reward signal for agents are exceedingly sparse, making it challenging to learn an effective reward function for reward shaping. To address this issue, our approach performs reward shaping not only by utilizing non-zero-reward transitions but also by employing the Semi-Supervised Learning (SSL) technique combined with a novel data augmentation to learn trajectory space representations from the majority of transitions, zero-reward transitions, thereby improving the efficacy of reward shaping. Experimental results in Atari and robotic manipulation demonstrate that our method effectively generalizes reward shaping to sparse reward scenarios, achieving up to four times better performance in reaching higher best scores compared to curiosity-driven methods. The proposed double entropy data augmentation enhances performance, showcasing a 15.8\% increase in best score over other augmentation methods.

Deep Neural Networks (DNNs) excel at many tasks, often rivaling or surpassing human performance. Yet their internal processes remain elusive, frequently described as "black boxes." While performance can be refined experimentally, achieving a fundamental grasp of their inner workings is still a challenge. Statistical Mechanics has long tackled computational problems, and this thesis applies physics-based insights to understand DNNs via three complementary approaches. First, by averaging over data, we derive an asymptotic bound on generalization that depends solely on the size of the last layer, rather than on the total number of parameters -- revealing how deep architectures process information differently across layers. Second, adopting a data-dependent viewpoint, we explore a finite-width thermodynamic limit beyond the infinite-width regime. This leads to: (i) a closed-form expression for the generalization error in a finite-width one-hidden-layer network (regression task); (ii) an approximate partition function for deeper architectures; and (iii) a link between deep networks in this thermodynamic limit and Student's t-processes. Finally, from a task-explicit perspective, we present a preliminary analysis of how DNNs interact with a controlled dataset, investigating whether they truly internalize its structure -- collapsing to the teacher -- or merely memorize it. By understanding when a network must learn data structure rather than just memorize, it sheds light on fostering meaningful internal representations. In essence, this thesis leverages the synergy between Statistical Physics and Machine Learning to illuminate the inner behavior of DNNs.

The integration of human-intuitive interactions into autonomous systems has been limited. Traditional Natural Language Processing (NLP) systems struggle with context and intent understanding, severely restricting human-robot interaction. Recent advancements in Large Language Models (LLMs) have transformed this dynamic, allowing for intuitive and high-level communication through speech and text, and bridging the gap between human commands and robotic actions. Additionally, autonomous navigation has emerged as a central focus in robotics research, with artificial intelligence (AI) increasingly being leveraged to enhance these systems. However, existing AI-based navigation algorithms face significant challenges in latency-critical tasks where rapid decision-making is critical. Traditional frame-based vision systems, while effective for high-level decision-making, suffer from high energy consumption and latency, limiting their applicability in real-time scenarios. Neuromorphic vision systems, combining event-based cameras and spiking neural networks (SNNs), offer a promising alternative by enabling energy-efficient, low-latency navigation. Despite their potential, real-world implementations of these systems, particularly on physical platforms such as drones, remain scarce. In this work, we present Neuro-LIFT, a real-time neuromorphic navigation framework implemented on a Parrot Bebop2 quadrotor. Leveraging an LLM for natural language processing, Neuro-LIFT translates human speech into high-level planning commands which are then autonomously executed using event-based neuromorphic vision and physics-driven planning. Our framework demonstrates its capabilities in navigating in a dynamic environment, avoiding obstacles, and adapting to human instructions in real-time.

Retrieval-Augmented Generation (RAG) enables Large Language Models (LLMs) to generate grounded responses by leveraging external knowledge databases without altering model parameters. Although the absence of weight tuning prevents leakage via model parameters, it introduces the risk of inference adversaries exploiting retrieved documents in the model's context. Existing methods for membership inference and data extraction often rely on jailbreaking or carefully crafted unnatural queries, which can be easily detected or thwarted with query rewriting techniques common in RAG systems. In this work, we present Interrogation Attack (IA), a membership inference technique targeting documents in the RAG datastore. By crafting natural-text queries that are answerable only with the target document's presence, our approach demonstrates successful inference with just 30 queries while remaining stealthy; straightforward detectors identify adversarial prompts from existing methods up to ~76x more frequently than those generated by our attack. We observe a 2x improvement in TPR@1%FPR over prior inference attacks across diverse RAG configurations, all while costing less than $0.02 per document inference.

Anomaly detection in real-world time-series data is a challenging task due to the complex and nonlinear temporal dynamics involved. This paper introduces KoopAGRU, a new deep learning model designed to tackle this problem by combining Fast Fourier Transform (FFT), Deep Dynamic Mode Decomposition (DeepDMD), and Koopman theory. FFT allows KoopAGRU to decompose temporal data into time-variant and time-invariant components providing precise modeling of complex patterns. To better control these two components, KoopAGRU utilizes Gate Recurrent Unit (GRU) encoders to learn Koopman observables, enhancing the detection capability across multiple temporal scales. KoopAGRU is trained in a single process and offers fast inference times. Extensive tests on various benchmark datasets show that KoopAGRU outperforms other leading methods, achieving a new average F1-score of 90.88\% on the well-known anomalies detection task of times series datasets, and proves to be efficient and reliable in detecting anomalies in real-world scenarios.

Constrained optimization demands highly efficient solvers which promotes the development of learn-to-optimize (L2O) approaches. As a data-driven method, L2O leverages neural networks to efficiently produce approximate solutions. However, a significant challenge remains in ensuring both optimality and feasibility of neural networks' output. To tackle this issue, we introduce Homeomorphic Polar Learning (HoP) to solve the star-convex hard-constrained optimization by embedding homeomorphic mapping in neural networks. The bijective structure enables end-to-end training without extra penalty or correction. For performance evaluation, we evaluate HoP's performance across a variety of synthetic optimization tasks and real-world applications in wireless communications. In all cases, HoP achieves solutions closer to the optimum than existing L2O methods while strictly maintaining feasibility.

In the span of four decades, quantum computation has evolved from an intellectual curiosity to a potentially realizable technology. Today, small-scale demonstrations have become possible for quantum algorithmic primitives on hundreds of physical qubits and proof-of-principle error-correction on a single logical qubit. Nevertheless, despite significant progress and excitement, the path toward a full-stack scalable technology is largely unknown. There are significant outstanding quantum hardware, fabrication, software architecture, and algorithmic challenges that are either unresolved or overlooked. These issues could seriously undermine the arrival of utility-scale quantum computers for the foreseeable future. Here, we provide a comprehensive review of these scaling challenges. We show how the road to scaling could be paved by adopting existing semiconductor technology to build much higher-quality qubits, employing system engineering approaches, and performing distributed quantum computation within heterogeneous high-performance computing infrastructures. These opportunities for research and development could unlock certain promising applications, in particular, efficient quantum simulation/learning of quantum data generated by natural or engineered quantum systems. To estimate the true cost of such promises, we provide a detailed resource and sensitivity analysis for classically hard quantum chemistry calculations on surface-code error-corrected quantum computers given current, target, and desired hardware specifications based on superconducting qubits, accounting for a realistic distribution of errors. Furthermore, we argue that, to tackle industry-scale classical optimization and machine learning problems in a cost-effective manner, heterogeneous quantum-probabilistic computing with custom-designed accelerators should be considered as a complementary path toward scalability.

Graph Neural Network (GNN) potentials relying on chemical locality offer near-quantum mechanical accuracy at significantly reduced computational costs. By propagating local information to distance particles, Message-passing neural networks (MPNNs) extend the locality concept to model interactions beyond their local neighborhood. Still, this locality precludes modeling long-range effects, such as charge transfer, electrostatic interactions, and dispersion effects, which are critical to adequately describe many real-world systems. In this work, we propose the Charge Equilibration Layer for Long-range Interactions (CELLI) to address the challenging modeling of non-local interactions and the high computational cost of MPNNs. This novel architecture generalizes the fourth-generation high-dimensional neural network (4GHDNN) concept, integrating the charge equilibration (Qeq) method into a model-agnostic building block for modern equivariant GNN potentials. A series of benchmarks show that CELLI can extend the strictly local Allegro architecture to model highly non-local interactions and charge transfer. Our architecture generalizes to diverse datasets and large structures, achieving an accuracy comparable to MPNNs at about twice the computational efficiency.

Training a neural network for pixel based classification task using low resolution Landsat images is difficult as the size of the training data is usually small due to less number of available pixels that represent a single class without any mixing with other classes. Due to this scarcity of training data, neural network may not be able to attain expected level of accuracy. This limitation could be overcome using a generative network that aims to generate synthetic data having the same distribution as the sample data with which it is trained. In this work, we have proposed a methodology for improving the performance of ANN classifier to identify built-up pixels in the Landsat$7$ image with the help of developing a simple GAN architecture that could generate synthetic training pixels when trained using original set of sample built-up pixels. To ensure that the marginal and joint distributions of all the bands corresponding to the generated and original set of pixels are indistinguishable, non-parametric Kolmogorov Smirnov Test and Ball Divergence based Equality of Distributions Test have been performed respectively. It has been observed that the overall accuracy and kappa coefficient of the ANN model for built-up classification have continuously improved from $0.9331$ to $0.9983$ and $0.8277$ to $0.9958$ respectively, with the inclusion of generated sets of built-up pixels to the original one.

Federated Learning (FL) is an upcoming technology that is increasingly applied in real-world applications. Early applications focused on cross-device scenarios, where many participants with limited resources train machine learning (ML) models together, e.g., in the case of Google's GBoard. Contrarily, cross-silo scenarios have only few participants but with many resources, e.g., in the healthcare domain. Despite such early efforts, FL is still rarely used in practice and best practices are, hence, missing. For new applications, in our case inter-organizational cross-silo applications, overcoming this lack of role models is a significant challenge. In order to ease the use of FL in real-world cross-silo applications, we here propose a scenario-based architecture for the practical use of FL in the context of multiple companies collaborating to improve the quality of their ML models. The architecture emphasizes the collaboration between the participants and the FL server and extends basic interactions with domain-specific features. First, it combines governance with authentication, creating an environment where only trusted participants can join. Second, it offers traceability of governance decisions and tracking of training processes, which are also crucial in a production environment. Beyond presenting the architectural design, we analyze requirements for the real-world use of FL and evaluate the architecture with a scenario-based analysis method.