Thus, the observed data can be summarized into a sequence of "observation-action-reward" triplets ( O t, A t, R t) t 0. It is worth noting that the observation O t at each time step is not equivalent to the environment's state S t. Indeed, the state can be viewed as a special observation with the Markov property, and we will elaborate on the difference between the two later. Policies: The goal of RL is to learn an optimal policy π based on the observation-action-reward triplets to maximize the agent's cumulative reward. Mathematically, a policy is defined as a conditional probability distribution function mapping the agent's observed data history to the action space. It specifies the probability of the agent taking different actions at each time step. Below, we introduce three types of policies (see Figure 1(b) for a visualization of their relationships): (1) History-dependent policy: This is the most general form of policy. At each time t, we define H t as the set containing the current observation O t and all prior historical information (O i, A i, R i) i

This paper provides an overview of the applications of sheaf theory in deep learning, data science, and computer science in general. The primary text of this work serves as a friendly introduction to applied and computational sheaf theory accessible to those with modest mathematical familiarity. We describe intuitions and motivations underlying sheaf theory shared by both theoretical researchers and practitioners, bridging classical mathematical theory and its more recent implementations within signal processing and deep learning. We observe that most notions commonly considered specific to cellular sheaves translate to sheaves on arbitrary posets, providing an interesting avenue for further generalization of these methods in applications, and we present a new algorithm to compute sheaf cohomology on arbitrary finite posets in response. By integrating classical theory with recent applications, this work reveals certain blind spots in current machine learning practices. We conclude with a list of problems related to sheaf-theoretic applications that we find mathematically insightful and practically instructive to solve. To ensure the exposition of sheaf theory is self-contained, a rigorous mathematical introduction is provided in appendices which moves from an introduction of diagrams and sheaves to the definition of derived functors, higher order cohomology, sheaf Laplacians, sheaf diffusion, and interconnections of these subjects therein.2020

Peptide design plays a pivotal role in therapeutic applications, yet existing AI-assisted methods often struggle to generate stable peptides with high affinity due to their inability to accurately simulate the dynamic docking process. To address this challenge, we propose NLFlow, a novel multi-manifold approach based on non-linear flow matching. Specifically, we design a polynomial-based conditional vector field to accelerate the convergence of the peptide's position towards the target pocket, effectively capturing the temporal inconsistencies across position, rotation, torsion, and amino acid type manifolds. This enables the model to better align with the true conformational changes observed in biological docking processes. Additionally, we incorporate interaction-related information, such as polarity, to enhance the understanding of peptide-protein binding. Extensive experiments demonstrate that NLFlow outperforms existing methods in generating peptides with superior stability, affinity, and diversity, offering a fast and efficient solution for peptide design and advancing the peptide-based therapeutic development.

Universities serve as a hub for academic collaboration, promoting the exchange of diverse ideas and perspectives among students and faculty through interdisciplinary dialogue. However, as universities expand in size, conventional networking approaches via student chapters, class groups, and faculty committees become cumbersome. To address this challenge, an academia-specific profile recommendation system is proposed to connect like-minded stakeholders within any university community. This study evaluates three techniques: Term Frequency-Inverse Document Frequency (TF-IDF), Bidirectional Encoder Representations from Transformers (BERT), and a hybrid approach to generate effective recommendations. Due to the unlabelled nature of the dataset, Affinity Propagation cluster-based relabelling is performed to understand the grouping of similar profiles. The hybrid model demonstrated superior performance, evidenced by its similarity score, Silhouette score, Davies-Bouldin index, and Normalized Discounted Cumulative Gain (NDCG), achieving an optimal balance between diversity and relevance in recommendations. Furthermore, the optimal model has been implemented as a mobile application, which dynamically suggests relevant profiles based on users' skills and collaboration interests, incorporating contextual understanding. The potential impact of this application is significant, as it promises to enhance networking opportunities within large academic institutions through the deployment of intelligent recommendation systems.

Objective: To optimize in-context learning in biomedical natural language processing by improving example selection. Methods: We introduce a novel multi-mode retrieval-augmented generation (MMRAG) framework, which integrates four retrieval strategies: (1) Random Mode, selecting examples arbitrarily; (2) Top Mode, retrieving the most relevant examples based on similarity; (3) Diversity Mode, ensuring variation in selected examples; and (4) Class Mode, selecting category-representative examples. This study evaluates MMRAG on three core biomedical NLP tasks: Named Entity Recognition (NER), Relation Extraction (RE), and Text Classification (TC). The datasets used include BC2GM for gene and protein mention recognition (NER), DDI for drug-drug interaction extraction (RE), GIT for general biomedical information extraction (RE), and HealthAdvice for health-related text classification (TC). The framework is tested with two large language models (Llama2-7B, Llama3-8B) and three retrievers (Contriever, MedCPT, BGE-Large) to assess performance across different retrieval strategies. Results: The results from the Random mode indicate that providing more examples in the prompt improves the model's generation performance. Meanwhile, Top mode and Diversity mode significantly outperform Random mode on the RE (DDI) task, achieving an F1 score of 0.9669, a 26.4% improvement. Among the three retrievers tested, Contriever outperformed the other two in a greater number of experiments. Additionally, Llama 2 and Llama 3 demonstrated varying capabilities across different tasks, with Llama 3 showing a clear advantage in handling NER tasks. Conclusion: MMRAG effectively enhances biomedical in-context learning by refining example selection, mitigating data scarcity issues, and demonstrating superior adaptability for NLP-driven healthcare applications.

The integration of large language models (LLMs) into virtual reality (VR) environments has opened new pathways for creating more immersive and interactive digital humans. By leveraging the generative capabilities of LLMs alongside multimodal outputs such as facial expressions and gestures, virtual agents can simulate human-like personalities and emotions, fostering richer and more engaging user experiences. This paper provides a comprehensive review of methods for enabling digital humans to adopt nuanced personality traits, exploring approaches such as zero-shot, few-shot, and fine-tuning. Additionally, it highlights the challenges of integrating LLM-driven personality traits into VR, including computational demands, latency issues, and the lack of standardized evaluation frameworks for multimodal interactions. By addressing these gaps, this work lays a foundation for advancing applications in education, therapy, and gaming, while fostering interdisciplinary collaboration to redefine human-computer interaction in VR.

This position paper argues for a fundamental shift in how Large Language Models (LLMs) are integrated into the mental health care domain. We advocate for their role as co-creators rather than mere assistive tools. While LLMs have the potential to enhance accessibility, personalization, and crisis intervention, their adoption remains limited due to concerns about bias, evaluation, over-reliance, dehumanization, and regulatory uncertainties. To address these challenges, we propose two structured pathways: SAFE-i (Supportive, Adaptive, Fair, and Ethical Implementation) Guidelines for ethical and responsible deployment, and HAAS-e (Human-AI Alignment and Safety Evaluation) Framework for multidimensional, human-centered assessment. SAFE-i provides a blueprint for data governance, adaptive model engineering, and real-world integration, ensuring LLMs align with clinical and ethical standards. HAAS-e introduces evaluation metrics that go beyond technical accuracy to measure trustworthiness, empathy, cultural sensitivity, and actionability. We call for the adoption of these structured approaches to establish a responsible and scalable model for LLM-driven mental health support, ensuring that AI complements-rather than replaces-human expertise.

Despite increasing discussions on open-source Artificial Intelligence (AI), existing research lacks a discussion on the transparency and accessibility of state-of-the-art (SoTA) Large Language Models (LLMs). The Open Source Initiative (OSI) has recently released its first formal definition of open-source software. This definition, when combined with standard dictionary definitions and the sparse published literature, provide an initial framework to support broader accessibility to AI models such as LLMs, but more work is essential to capture the unique dynamics of openness in AI. In addition, concerns about open-washing, where models claim openness but lack full transparency, has been raised, which limits the reproducibility, bias mitigation, and domain adaptation of these models. In this context, our study critically analyzes SoTA LLMs from the last five years, including ChatGPT, DeepSeek, LLaMA, and others, to assess their adherence to transparency standards and the implications of partial openness. Specifically, we examine transparency and accessibility from two perspectives: open-source vs. open-weight models. Our findings reveal that while some models are labeled as open-source, this does not necessarily mean they are fully open-sourced. Even in the best cases, open-source models often do not report model training data, and code as well as key metrics, such as weight accessibility, and carbon emissions. To the best of our knowledge, this is the first study that systematically examines the transparency and accessibility of over 100 different SoTA LLMs through the dual lens of open-source and open-weight models. The findings open avenues for further research and call for responsible and sustainable AI practices to ensure greater transparency, accountability, and ethical deployment of these models.(DeepSeek transparency, ChatGPT accessibility, open source, DeepSeek open source)

Model Extraction Attacks (MEAs) threaten modern machine learning systems by enabling adversaries to steal models, exposing intellectual property and training data. With the increasing deployment of machine learning models in distributed computing environments, including cloud, edge, and federated learning settings, each paradigm introduces distinct vulnerabilities and challenges. Without a unified perspective on MEAs across these distributed environments, organizations risk fragmented defenses, inadequate risk assessments, and substantial economic and privacy losses. This survey is motivated by the urgent need to understand how the unique characteristics of cloud, edge, and federated deployments shape attack vectors and defense requirements. We systematically examine the evolution of attack methodologies and defense mechanisms across these environments, demonstrating how environmental factors influence security strategies in critical sectors such as autonomous vehicles, healthcare, and financial services. By synthesizing recent advances in MEAs research and discussing the limitations of current evaluation practices, this survey provides essential insights for developing robust and adaptive defense strategies. Our comprehensive approach highlights the importance of integrating protective measures across the entire distributed computing landscape to ensure the secure deployment of machine learning models.

The application of large language models (LLMs) in healthcare has the potential to revolutionize clinical decision-making, medical research, and patient care. As LLMs are increasingly integrated into healthcare systems, several critical challenges must be addressed to ensure their reliable and ethical deployment. These challenges include truthfulness, where models generate misleading information; privacy, with risks of unintentional data retention; robustness, requiring defenses against adversarial attacks; fairness, addressing biases in clinical outcomes; explainability, ensuring transparent decision-making; and safety, mitigating risks of misinformation and medical errors. Recently, researchers have begun developing benchmarks and evaluation frameworks to systematically assess the trustworthiness of LLMs. However, the trustworthiness of LLMs in healthcare remains underexplored, lacking a systematic review that provides a comprehensive understanding and future insights into this area. This survey bridges this gap by providing a comprehensive overview of the recent research of existing methodologies and solutions aimed at mitigating the above risks in healthcare. By focusing on key trustworthiness dimensions including truthfulness, privacy and safety, robustness, fairness and bias, and explainability, we present a thorough analysis of how these issues impact the reliability and ethical use of LLMs in healthcare. This paper highlights ongoing efforts and offers insights into future research directions to ensure the safe and trustworthy deployment of LLMs in healthcare.