Visual analytics using dimensionality reduction (DR) can easily be unreliable for various reasons, e.g., inherent distortions in representing the original data. The literature has thus proposed a wide range of methodologies to make DR-based visual analytics reliable. However, the diversity and extensiveness of the literature can leave novice analysts and researchers uncertain about where to begin and proceed. To address this problem, we propose a guide for reading papers for reliable visual analytics with DR. Relying on the previous classification of the relevant literature, our guide helps both practitioners to (1) assess their current DR expertise and (2) identify papers that will further enhance their understanding. Interview studies with three experts in DR and data visualizations validate the significance, comprehensiveness, and usefulness of our guide.

In reinforcement learning (RL), agents continually interact with the environment and use the feedback to refine their behavior. To guide policy optimization, reward models are introduced as proxies of the desired objectives, such that when the agent maximizes the accumulated reward, it also fulfills the task designer's intentions. Recently, significant attention from both academic and industrial researchers has focused on developing reward models that not only align closely with the true objectives but also facilitate policy optimization. In this survey, we provide a comprehensive review of reward modeling techniques within the deep RL literature. We begin by outlining the background and preliminaries in reward modeling. Next, we present an overview of recent reward modeling approaches, categorizing them based on the source, the mechanism, and the learning paradigm. Building on this understanding, we discuss various applications of these reward modeling techniques and review methods for evaluating reward models. Finally, we conclude by highlighting promising research directions in reward modeling. Altogether, this survey includes both established and emerging methods, filling the vacancy of a systematic review of reward models in current literature.

Modern Large Language Models (LLMs) exhibit impressive zero-shot and few-shot generalization capabilities across complex natural language tasks, enabling their widespread use as virtual assistants for diverse applications such as translation and summarization. Despite being trained solely on large corpora of text without explicit supervision on author intent, LLMs appear to infer the underlying meaning of textual interactions. This raises a fundamental question: can LLMs model and reason about the intentions of others, i.e., do they possess a form of theory of mind? Understanding other's intentions is crucial for effective collaboration, which underpins human societal success and is essential for cooperative interactions among multiple agents, including humans and autonomous systems. In this work, we investigate the theory of mind in LLMs through the lens of cooperative multi-agent reinforcement learning (MARL), where agents learn to collaborate via repeated interactions, mirroring human social reasoning. Our approach aims to enhance artificial agent's ability to adapt and cooperate with both artificial and human partners. By leveraging LLM-based agents capable of natural language interaction, we move towards creating hybrid human-AI systems that can foster seamless collaboration, with broad implications for the future of human-artificial interaction.

Large Language Model (LLM)-based agents have demonstrated the ability to improve performance in chemistry-related tasks by selecting appropriate tools. However, their effectiveness remains limited by the inherent prediction errors of chemistry tools. In this paper, we take a step further by exploring how LLMbased agents can, in turn, be leveraged to reduce prediction errors of the tools. To this end, we propose ChemHAS (Chemical Hierarchical Agent Stacking), a simple yet effective method that enhances chemistry tools through optimizing agent-stacking structures from limited data. ChemHAS achieves state-of-the-art performance across four fundamental chemistry tasks, demonstrating that our method can effectively compensate for prediction errors of the tools. Furthermore, we identify and characterize four distinct agent-stacking behaviors, potentially improving interpretability and revealing new possibilities for AI agent applications in scientific research. Our code and dataset are publicly available at https: //anonymous.4open.science/r/ChemHAS-01E4/README.md.

Graph autoencoders (GAE) and variational graph autoencoders (VGAE) emerged as two powerful groups of unsupervised node embedding methods, with various applications to graph-based machine learning problems such as link prediction and community detection. Nonetheless, at the beginning of this Ph.D. project, GAE and VGAE models were also suffering from key limitations, preventing them from being adopted in the industry. In this thesis, we present several contributions to improve these models, with the general aim of facilitating their use to address industrial-level problems involving graph representations. Firstly, we propose two strategies to overcome the scalability issues of previous GAE and VGAE models, permitting to effectively train these models on large graphs with millions of nodes and edges. These strategies leverage graph degeneracy and stochastic subgraph decoding techniques, respectively. Besides, we introduce Gravity-Inspired GAE and VGAE, providing the first extensions of these models for directed graphs, that are ubiquitous in industrial applications. We also consider extensions of GAE and VGAE models for dynamic graphs. Furthermore, we argue that GAE and VGAE models are often unnecessarily complex, and we propose to simplify them by leveraging linear encoders. Lastly, we introduce Modularity-Aware GAE and VGAE to improve community detection on graphs, while jointly preserving good performances on link prediction. In the last part of this thesis, we evaluate our methods on several graphs extracted from the music streaming service Deezer. We put the emphasis on graph-based music recommendation problems. In particular, we show that our methods can improve the detection of communities of similar musical items to recommend to users, that they can effectively rank similar artists in a cold start setting, and that they permit modeling the music genre perception across cultures.

While MCQs are valuable for learning and evaluation, manually creating them with varying difficulty levels and targeted reading skills remains a time-consuming and costly task. Recent advances in generative AI provide an opportunity to automate MCQ generation efficiently. However, assessing the actual quality and reliability of generated MCQs has received limited attention -- particularly regarding cases where generation fails. This aspect becomes particularly important when the generated MCQs are meant to be applied in real-world settings. Additionally, most MCQ generation studies focus on English, leaving other languages underexplored. This paper investigates the capabilities of current generative models in producing MCQs for reading comprehension in Portuguese, a morphologically rich language. Our study focuses on generating MCQs that align with curriculum-relevant narrative elements and span different difficulty levels. We evaluate these MCQs through expert review and by analyzing the psychometric properties extracted from student responses to assess their suitability for elementary school students. Our results show that current models can generate MCQs of comparable quality to human-authored ones. However, we identify issues related to semantic clarity and answerability. Also, challenges remain in generating distractors that engage students and meet established criteria for high-quality MCQ option design.

Offensive Robot Cybersecurity introduces a groundbreaking approach by advocating for offensive security methods empowered by means of automation. It emphasizes the necessity of understanding attackers' tactics and identifying vulnerabilities in advance to develop effective defenses, thereby improving robots' security posture. This thesis leverages a decade of robotics experience, employing Machine Learning and Game Theory to streamline the vulnerability identification and exploitation process. Intrinsically, the thesis uncovers a profound connection between robotic architecture and cybersecurity, highlighting that the design and creation aspect of robotics deeply intertwines with its protection against attacks. This duality -- whereby the architecture that shapes robot behavior and capabilities also necessitates a defense mechanism through offensive and defensive cybersecurity strategies -- creates a unique equilibrium. Approaching cybersecurity with a dual perspective of defense and attack, rooted in an understanding of systems architecture, has been pivotal. Through comprehensive analysis, including ethical considerations, the development of security tools, and executing cyber attacks on robot software, hardware, and industry deployments, this thesis proposes a novel architecture for cybersecurity cognitive engines. These engines, powered by advanced game theory and machine learning, pave the way for autonomous offensive cybersecurity strategies for robots, marking a significant shift towards self-defending robotic systems. This research not only underscores the importance of offensive measures in enhancing robot cybersecurity but also sets the stage for future advancements where robots are not just resilient to cyber threats but are equipped to autonomously safeguard themselves.

Surveys are a cornerstone of Information Systems (IS) research, yet creating high-quality surveys remains labor-intensive, requiring both domain expertise and methodological rigor. With the evolution of large language models (LLMs), new opportunities emerge to automate survey generation. This paper presents the real-world deployment of an LLM-powered system designed to accelerate data collection while maintaining survey quality. Deploying such systems in production introduces real-world complexity, including diverse user needs and quality control. We evaluate the system using the DeLone and McLean IS Success Model to understand how generative AI can reshape a core IS method. This study makes three key contributions. To our knowledge, this is the first application of the IS Success Model to a generative AI system for survey creation. In addition, we propose a hybrid evaluation framework combining automated and human assessments. Finally, we implement safeguards that mitigate post-deployment risks and support responsible integration into IS workflows.

Despite promising developments in Explainable Artificial Intelligence, the practical value of XAI methods remains under-explored and insufficiently validated in real-world settings. Robust and context-aware evaluation is essential, not only to produce understandable explanations but also to ensure their trustworthiness and usability for intended users, but tends to be overlooked because of no clear guidelines on how to design an evaluation with users. This study addresses this gap with two main goals: (1) to develop a framework of well-defined, atomic properties that characterise the user experience of XAI in healthcare; and (2) to provide clear, context-sensitive guidelines for defining evaluation strategies based on system characteristics. We conducted a systematic review of 82 user studies, sourced from five databases, all situated within healthcare settings and focused on evaluating AI-generated explanations. The analysis was guided by a predefined coding scheme informed by an existing evaluation framework, complemented by inductive codes developed iteratively. The review yields three key contributions: (1) a synthesis of current evaluation practices, highlighting a growing focus on human-centred approaches in healthcare XAI; (2) insights into the interrelations among explanation properties; and (3) an updated framework and a set of actionable guidelines to support interdisciplinary teams in designing and implementing effective evaluation strategies for XAI systems tailored to specific application contexts.

Purpose: Explainability features are intended to provide insight into the internal mechanisms of an AI device, but there is a lack of evaluation techniques for assessing the quality of provided explanations. We propose a framework to assess and report explainable AI features. Materials and Methods: Our evaluation framework for AI explainability is based on four criteria: 1) Consistency quantifies the variability of explanations to similar inputs, 2) Plausibility estimates how close the explanation is to the ground truth, 3) Fidelity assesses the alignment between the explanation and the model internal mechanisms, and 4) Usefulness evaluates the impact on task performance of the explanation. Finally, we developed a scorecard for AI explainability methods that serves as a complete description and evaluation to accompany this type of algorithm. Results: We describe these four criteria and give examples on how they can be evaluated. As a case study, we use Ablation CAM and Eigen CAM to illustrate the evaluation of explanation heatmaps on the detection of breast lesions on synthetic mammographies. The first three criteria are evaluated for clinically-relevant scenarios. Conclusion: Our proposed framework establishes criteria through which the quality of explanations provided by AI models can be evaluated. We intend for our framework to spark a dialogue regarding the value provided by explainability features and help improve the development and evaluation of AI-based medical devices.