Off-policy evaluation (OPE) is a critical challenge in robust decision-making that seeks to assess the performance of a new policy using data collected under a different policy. However, the existing OPE methodologies suffer from several limitations arising from statistical uncertainty as well as causal considerations. In this thesis, we address these limitations by presenting three different works. Firstly, we consider the problem of high variance in the importance-sampling-based OPE estimators. We introduce the Marginal Ratio (MR) estimator, a novel OPE method that reduces variance by focusing on the marginal distribution of outcomes rather than direct policy shifts, improving robustness in contextual bandits. Next, we propose Conformal Off-Policy Prediction (COPP), a principled approach for uncertainty quantification in OPE that provides finite-sample predictive intervals, ensuring robust decision-making in risk-sensitive applications. Finally, we address causal unidentifiability in off-policy decision-making by developing novel bounds for sequential decision settings, which remain valid under arbitrary unmeasured confounding. We apply these bounds to assess the reliability of digital twin models, introducing a falsification framework to identify scenarios where model predictions diverge from real-world behaviour. Our contributions provide new insights into robust decision-making under uncertainty and establish principled methods for evaluating policies in both static and dynamic settings.

Heterogeneity poses a fundamental challenge for many real-world large-scale decision-making problems but remains largely understudied. In this paper, we study the fully heterogeneous setting of a prominent class of such problems, known as weakly-coupled Markov decision processes (WCMDPs). Each WCMDP consists of $N$ arms (or subproblems), which have distinct model parameters in the fully heterogeneous setting, leading to the curse of dimensionality when $N$ is large. We show that, under mild assumptions, a natural adaptation of the ID policy, although originally proposed for a homogeneous special case of WCMDPs, in fact achieves an $O(1/\sqrt{N})$ optimality gap in long-run average reward per arm for fully heterogeneous WCMDPs as $N$ becomes large. This is the first asymptotic optimality result for fully heterogeneous average-reward WCMDPs. Our techniques highlight the construction of a novel projection-based Lyapunov function, which witnesses the convergence of rewards and costs to an optimal region in the presence of heterogeneity.

Generative Adversarial Networks (GAN) have greatly influenced the development of computer vision and artificial intelligence in the past decade and also connected art and machine intelligence together. This book begins with a detailed introduction to the fundamental principles and historical development of GANs, contrasting them with traditional generative models and elucidating the core adversarial mechanisms through illustrative Python examples. The text systematically addresses the mathematical and theoretical underpinnings including probability theory, statistics, and game theory providing a solid framework for understanding the objectives, loss functions, and optimisation challenges inherent to GAN training. Subsequent chapters review classic variants such as Conditional GANs, DCGANs, InfoGAN, and LAPGAN before progressing to advanced training methodologies like Wasserstein GANs, GANs with gradient penalty, least squares GANs, and spectral normalisation techniques. The book further examines architectural enhancements and task-specific adaptations in generators and discriminators, showcasing practical implementations in high resolution image generation, artistic style transfer, video synthesis, text to image generation and other multimedia applications. The concluding sections offer insights into emerging research trends, including self-attention mechanisms, transformer-based generative models, and a comparative analysis with diffusion models, thus charting promising directions for future developments in both academic and applied settings.

The development of artificial intelligence (AI) techniques has brought revolutionary changes across various realms. In particular, the use of AI-assisted methods to accelerate chemical research has become a popular and rapidly growing trend, leading to numerous groundbreaking works. In this paper, we provide a comprehensive review of current AI techniques in chemistry from a computational perspective, considering various aspects in the design of methods. We begin by discussing the characteristics of data from diverse sources, followed by an overview of various representation methods. Next, we review existing models for several topical tasks in the field, and conclude by highlighting some key challenges that warrant further attention.

The theory of homogenization provides a systematic approach to the derivation of macroscale constitutive laws, obviating the need to repeatedly resolve complex microstructure. However, the unit cell problem that defines the constitutive model is typically not amenable to explicit evaluation. It is therefore of interest to learn constitutive models from data generated by the unit cell problem. Many viscoelastic and elastoviscoplastic materials are characterized by memory-dependent constitutive laws. In order to amortize the computational investment in finding such memory-dependent constitutive laws, it is desirable to learn their dependence on the material microstructure. While prior work has addressed learning memory dependence and material dependence separately, their joint learning has not been considered. This paper focuses on the joint learning problem and proposes a novel neural operator framework to address it. In order to provide firm foundations, the homogenization problem for linear Kelvin-Voigt viscoelastic materials is studied. The theoretical properties of the cell problem in this Kelvin-Voigt setting are used to motivate the proposed general neural operator framework; these theoretical properties are also used to prove a universal approximation theorem for the learned macroscale constitutive model. This formulation of learnable constitutive models is then deployed beyond the Kelvin-Voigt setting. Numerical experiments are presented showing that the resulting data-driven methodology accurately learns history- and microstructure-dependent linear viscoelastic and nonlinear elastoviscoplastic constitutive models, and numerical results also demonstrate that the resulting constitutive models can be deployed in macroscale simulation of material deformation.

In a rapidly globalizing and digital world, content such as book and product reviews created by people from diverse cultures are read and consumed by others from different corners of the world. In this paper, we investigate the extent and patterns of gaps in understandability of book reviews due to the presence of culturally-specific items and elements that might be alien to users from another culture. Our user-study on 57 book reviews from Goodreads reveal that 83\% of the reviews had at least one culture-specific difficult-to-understand element. We also evaluate the efficacy of GPT-4o in identifying such items, given the cultural background of the reader; the results are mixed, implying a significant scope for improvement. Our datasets are available here: https://github.com/sougata-ub/reading_between_lines

Retrieval-Augmented Generation (RAG) is an advanced technique designed to address the challenges of Artificial Intelligence-Generated Content (AIGC). By integrating context retrieval into content generation, RAG provides reliable and up-to-date external knowledge, reduces hallucinations, and ensures relevant context across a wide range of tasks. However, despite RAG's success and potential, recent studies have shown that the RAG paradigm also introduces new risks, including robustness issues, privacy concerns, adversarial attacks, and accountability issues. Addressing these risks is critical for future applications of RAG systems, as they directly impact their trustworthiness. Although various methods have been developed to improve the trustworthiness of RAG methods, there is a lack of a unified perspective and framework for research in this topic. Thus, in this paper, we aim to address this gap by providing a comprehensive roadmap for developing trustworthy RAG systems. We place our discussion around five key perspectives: reliability, privacy, safety, fairness, explainability, and accountability. For each perspective, we present a general framework and taxonomy, offering a structured approach to understanding the current challenges, evaluating existing solutions, and identifying promising future research directions. To encourage broader adoption and innovation, we also highlight the downstream applications where trustworthy RAG systems have a significant impact.

Deep Reinforcement Learning (DRL) has achieved remarkable success in sequential decision-making tasks across diverse domains, yet its reliance on black-box neural architectures hinders interpretability, trust, and deployment in high-stakes applications. Explainable Deep Reinforcement Learning (XRL) addresses these challenges by enhancing transparency through feature-level, state-level, dataset-level, and model-level explanation techniques. This survey provides a comprehensive review of XRL methods, evaluates their qualitative and quantitative assessment frameworks, and explores their role in policy refinement, adversarial robustness, and security. Additionally, we examine the integration of reinforcement learning with Large Language Models (LLMs), particularly through Reinforcement Learning from Human Feedback (RLHF), which optimizes AI alignment with human preferences. We conclude by highlighting open research challenges and future directions to advance the development of interpretable, reliable, and accountable DRL systems.

While recent efforts have begun integrating large language models (LLMs) into foreign language education (FLE), they often rely on traditional approaches to learning tasks without fully embracing educational methodologies, thus lacking adaptability to language learning. To address this gap, we argue that LLMs have the potential to serve as effective tutors in FLE. Specifically, LLMs can play three critical roles: (1) as data enhancers, improving the creation of learning materials or serving as student simulations; (2) as task predictors, serving as learner assessment or optimizing learning pathway; and (3) as agents, enabling personalized and inclusive education. We encourage interdisciplinary research to explore these roles, fostering innovation while addressing challenges and risks, ultimately advancing FLE through the thoughtful integration of LLMs.

In this survey, we systematically analyze techniques used to adapt large multimodal models (LMMs) for low-resource (LR) languages, examining approaches ranging from visual enhancement and data creation to cross-modal transfer and fusion strategies. Through a comprehensive analysis of 106 studies across 75 LR languages, we identify key patterns in how researchers tackle the challenges of limited data and computational resources. We find that visual information often serves as a crucial bridge for improving model performance in LR settings, though significant challenges remain in areas such as hallucination mitigation and computational efficiency. We aim to provide researchers with a clear understanding of current approaches and remaining challenges in making LMMs more accessible to speakers of LR (understudied) languages. We complement our survey with an open-source repository available at: https://github.com/marianlupascu/LMM4LRL-Survey.