Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires several time and cost expensive simulations and experiments. In order to tune down the uncharted material search space, minimizing the experimental cost, LLMs can play a bigger role to first provide an accelerated search of promising known material candidates. Furthermore, the integration of LLMs with domain-specific information via retrieval-augmented generation (RAG) is poised to revolutionize how researchers predict materials structures, analyze defects, discover novel compounds, and extract knowledge from literature and databases. In motivation to the potentials of LLMs and RAG in accelerating material discovery, this paper presents a broad and systematic review to examine the recent advancements in applying LLMs and RAG to key materials science problems. We survey state-of-the-art developments in crystal structure prediction, defect analysis, materials discovery, literature mining, database integration, and multi-modal retrieval, highlighting how combining LLMs with external knowledge sources enables new capabilities. We discuss the performance, limitations, and implications of these approaches, and outline future directions for leveraging LLMs to accelerate materials research and discovery for advancement in technologies in the area of electronics, optics, biomedical, and energy storage.

As AI adoption expands across human society, the problem of aligning AI models to match human preferences remains a grand challenge. Currently, the AI alignment field is deeply divided between behavioral and representational approaches, resulting in narrowly aligned models that are more vulnerable to increasingly deceptive misalignment threats. In the face of this fragmentation, we propose an integrated vision for the future of the field. Drawing on related lessons from immunology and cybersecurity, we lay out a set of design principles for the development of Integrated Alignment frameworks that combine the complementary strengths of diverse alignment approaches through deep integration and adaptive coevolution. We highlight the importance of strategic diversity - deploying orthogonal alignment and misalignment detection approaches to avoid homogeneous pipelines that may be "doomed to success". We also recommend steps for greater unification of the AI alignment research field itself, through cross-collaboration, open model weights and shared community resources.

The accelerated dissemination of disinformation often outpaces the capacity for manual fact-checking, highlighting the urgent need for Semi-Automated Fact-Checking (SAFC) systems. Within the Portuguese language context, there is a noted scarcity of publicly available datasets ( corpora) that integrate external evidence, an essential component for developing robust AFC systems, as many existing resources focus solely on classification based on intrinsic text features. This dissertation addresses this gap by developing, applying, and analyzing a methodology to enrich Portuguese news corpora (Fake.Br, COVID19.BR, MuMiN-PT) with external evidence. The approach simulates a user's verification process, employing Large Language Models (LLMs, specifically Gemini 1.5 Flash) to extract the main claim from texts and search engine APIs (Google Search API, Google FactCheck Claims Search API) to retrieve relevant external documents (evidence). Additionally, a data validation and pre-processing framework, including near-duplicate detection, is introduced to enhance the quality of the base corpora. The main results demonstrate the methodology's viability, providing enriched corpora and analyses that confirm the utility of claim extraction, the influence of original data characteristics on the process, and the positive impact of enrichment on the performance of classification models (Bertimbau and Gemini 1.5 Flash), especially with fine-tuning. This work contributes valuable resources and insights for advancing SAFC in Portuguese.

Generative models are a class of AI models capable of creating new instances of data by learning and sampling from their statistical distributions. In recent years, these models have gained prominence in machine learning due to the development of approaches such as generative adversarial networks (GANs), variational autoencoders (VAEs), and transformer-based architectures such as GPT. These models have applications across various domains, such as image generation, text synthesis, and music composition. In recommender systems, generative models, referred to as Gen-RecSys, improve the accuracy and diversity of recommendations by generating structured outputs, text-based interactions, and multimedia content. By leveraging these capabilities, Gen-RecSys can produce more personalized, engaging, and dynamic user experiences, expanding the role of AI in eCommerce, media, and beyond. Our book goes beyond existing literature by offering a comprehensive understanding of generative models and their applications, with a special focus on deep generative models (DGMs) and their classification. We introduce a taxonomy that categorizes DGMs into three types: ID-driven models, large language models (LLMs), and multimodal models. Each category addresses unique technical and architectural advancements within its respective research area. This taxonomy allows researchers to easily navigate developments in Gen-RecSys across domains such as conversational AI and multimodal content generation. Additionally, we examine the impact and potential risks of generative models, emphasizing the importance of robust evaluation frameworks.

We provide rigorous theoretical analyses that establish performance guarantees for the ERM-DS algorithm.

An emerging field of AI, namely Fair Machine Learning (ML), aims to quantify different types of bias (also known as unfairness) exhibited in the predictions of ML algorithms, and to design new algorithms to mitigate them. Often, the definitions of bias used in the literature are observational, i.e. they use the input and output of a pre-trained algorithm to quantify a bias under concern. In reality,these definitions are often conflicting in nature and can only be deployed if either the ground truth is known or only in retrospect after deploying the algorithm. Thus,there is a gap between what we want Fair ML to achieve and what it does in a dynamic social environment. Hence, we propose an alternative dynamic mechanism,"Fair Game",to assure fairness in the predictions of an ML algorithm and to adapt its predictions as the society interacts with the algorithm over time. "Fair Game" puts together an Auditor and a Debiasing algorithm in a loop around an ML algorithm. The "Fair Game" puts these two components in a loop by leveraging Reinforcement Learning (RL). RL algorithms interact with an environment to take decisions, which yields new observations (also known as data/feedback) from the environment and in turn, adapts future decisions. RL is already used in algorithms with pre-fixed long-term fairness goals. "Fair Game" provides a unique framework where the fairness goals can be adapted over time by only modifying the auditor and the different biases it quantifies. Thus,"Fair Game" aims to simulate the evolution of ethical and legal frameworks in the society by creating an auditor which sends feedback to a debiasing algorithm deployed around an ML system. This allows us to develop a flexible and adaptive-over-time framework to build Fair ML systems pre- and post-deployment.

Gender classification is attractive in a range of applications, including surveillance and monitoring, corporate profiling, and human-computer interaction. Individuals' identities may be gleaned from information about their gender, which is a kind of soft biometric. Over the years, several methods for determining a person's gender have been devised. Some of the most well-known ones are based on physical characteristics like face, fingerprint, palmprint, DNA, ears, gait, and iris. On the other hand, facial features account for the vast majority of gender classification methods. Also, the iris is a significant biometric trait because the iris, according to research, remains basically constant during an individual's life. Besides that, the iris is externally visible and is non-invasive to the user, which is important for practical applications. Furthermore, there are already high-quality methods for segmenting and encoding iris images, and the current methods facilitate selecting and extracting attribute vectors from iris textures. This study discusses several approaches to determining gender. The previous works of literature are briefly reviewed. Additionally, there are a variety of methodologies for different steps of gender classification. This study provides researchers with knowledge and analysis of the existing gender classification approaches. Also, it will assist researchers who are interested in this specific area, as well as highlight the gaps and challenges in the field, and finally provide suggestions and future paths for improvement.

As large language models (LLMs) continue to advance and gain influence, the development of embodied AI has accelerated, drawing significant attention, particularly in navigation scenarios. Embodied navigation requires an agent to perceive, interact with, and adapt to its environment while moving toward a specified target in unfamiliar settings. However, the integration of embodied navigation into critical applications raises substantial safety concerns. Given their deployment in dynamic, real-world environments, ensuring the safety of such systems is critical. This survey provides a comprehensive analysis of safety in embodied navigation from multiple perspectives, encompassing attack strategies, defense mechanisms, and evaluation methodologies. Beyond conducting a comprehensive examination of existing safety challenges, mitigation technologies, and various datasets and metrics that assess effectiveness and robustness, we explore unresolved issues and future research directions in embodied navigation safety. These include potential attack methods, mitigation strategies, more reliable evaluation techniques, and the implementation of verification frameworks. By addressing these critical gaps, this survey aims to provide valuable insights that can guide future research toward the development of safer and more reliable embodied navigation systems. Furthermore, the findings of this study have broader implications for enhancing societal safety and increasing industrial efficiency.

As artificial intelligence (AI) and robotics increasingly permeate society, ensuring the ethical behavior of these systems has become paramount. This paper contends that transparency in AI decision-making processes is fundamental to developing trustworthy and ethically aligned robotic systems. We explore how transparency facilitates accountability, enables informed consent, and supports the debugging of ethical algorithms. The paper outlines technical, ethical, and practical challenges in implementing transparency and proposes novel approaches to enhance it, including standardized metrics, explainable AI techniques, and user-friendly interfaces. This paper introduces a framework that connects technical implementation with ethical considerations in robotic systems, focusing on the specific challenges of achieving transparency in dynamic, real-world contexts. We analyze how prioritizing transparency can impact public trust, regulatory policies, and avenues for future research. By positioning transparency as a fundamental element in ethical AI system design, we aim to add to the ongoing discussion on responsible AI and robotics, providing direction for future advancements in this vital field.

Symbolic indefinite integration in Computer Algebra Systems such as Maple involves selecting the most effective algorithm from multiple available methods. Not all methods will succeed for a given problem, and when several do, the results, though mathematically equivalent, can differ greatly in presentation complexity. Traditionally, this choice has been made with minimal consideration of the problem instance, leading to inefficiencies. We present a machine learning (ML) approach using tree-based deep learning models within a two-stage architecture: first identifying applicable methods for a given instance, then ranking them by predicted output complexity. Furthermore, we find representing mathematical expressions as tree structures significantly improves performance over sequence-based representations, and our two-stage framework outperforms alternative ML formulations. Using a diverse dataset generated by six distinct data generators, our models achieve nearly 90% accuracy in selecting the optimal method on a 70,000 example holdout test set. On an independent out-of-distribution benchmark from Maple's internal test suite, our tree transformer model maintains strong generalisation, outperforming Maple's built-in selector and prior ML approaches. These results highlight the critical role of data representation and problem framing in ML for symbolic computation, and we expect our methodology to generalise effectively to similar optimisation problems in mathematical software.