Graph neural networks have become the de facto model for learning from structured data. However, the decision-making process of GNNs remains opaque to the end user, which undermines their use in safety-critical applications. Several explainable AI techniques for graphs have been developed to address this major issue. Focusing on graph classification, these explainers identify subgraph motifs that explain predictions. Therefore, a robust benchmarking of graph explainers is required to ensure that the produced explanations are of high quality, i.e., aligned with the GNN's decision process. However, current graph-XAI benchmarks are limited to simplistic synthetic datasets or a few real-world tasks curated by domain experts, hindering rigorous and reproducible evaluation, and consequently stalling progress in the field. To overcome these limitations, we propose a method to automate the construction of graph XAI benchmarks from generic graph classification datasets. Our approach leverages the Weisfeiler-Leman color refinement algorithm to efficiently perform approximate subgraph matching and mine class-discriminating motifs, which serve as proxy ground-truth class explanations. At the same time, we ensure that these motifs can be learned by GNNs because their discriminating power aligns with WL expressiveness. This work also introduces the OpenGraphXAI benchmark suite, which consists of 15 ready-made graph-XAI datasets derived by applying our method to real-world molecular classification datasets. The suite is available to the public along with a codebase to generate over 2,000 additional graph-XAI benchmarks. Finally, we present a use case that illustrates how the suite can be used to assess the effectiveness of a selection of popular graph explainers, demonstrating the critical role of a sufficiently large benchmark collection for improving the significance of experimental results.

Despite its constitutional relevance, the technical ``individual fairness'' criterion has not been operationalized in U.S. state or federal statutes/regulations. We conduct a human subjects experiment to address this gap, evaluating which demographic features are relevant for individual fairness evaluation of recidivism risk assessment (RRA) tools. Our analyses conclude that the individual similarity function should consider age and sex, but it should ignore race.

Graph neural networks (GNNs) leverage the connectivity and structure of real-world graphs to learn intricate properties and relationships between nodes. Many real-world graphs exceed the memory capacity of a GPU due to their sheer size, and training GNNs on such graphs requires techniques such as mini-batch sampling to scale. The alternative approach of distributed full-graph training suffers from high communication overheads and load imbalance due to the irregular structure of graphs. We propose a three-dimensional (3D) parallel approach for full-graph training that tackles these issues and scales to billion-edge graphs. In addition, we introduce optimizations such as a double permutation scheme for load balancing, and a performance model to predict the optimal 3D configuration of our parallel implementation -- Plexus. We evaluate Plexus on six different graph datasets and show scaling results on up to 2048 GPUs of Perlmutter, and 1024 GPUs of Frontier. Plexus achieves unprecedented speedups of 2.3-12.5x over prior state of the art, and a reduction in time-to-solution by 5.2-8.7x on Perlmutter and 7.0-54.2x on Frontier.

The diagnosis of most mental disorders, including psychiatric evaluations, primarily depends on dialogues between psychiatrists and patients. This subjective process can lead to variability in diagnoses across clinicians and patients, resulting in inconsistencies and challenges in achieving reliable outcomes. To address these issues and standardize psychiatric diagnoses, we propose a Fine-Tuned Large Language Model (LLM) Consortium and OpenAI-gpt-oss Reasoning LLM-enabled Decision Support System for the clinical diagnosis of mental disorders. Our approach leverages fine-tuned LLMs trained on conversational datasets involving psychiatrist-patient interactions focused on mental health conditions (e.g., depression). The diagnostic predictions from individual models are aggregated through a consensus-based decision-making process, refined by the OpenAI-gpt-oss reasoning LLM. We propose a novel method for deploying LLM agents that orchestrate communication between the LLM consortium and the reasoning LLM, ensuring transparency, reliability, and responsible AI across the entire diagnostic workflow. Experimental results demonstrate the transformative potential of combining fine-tuned LLMs with a reasoning model to create a robust and highly accurate diagnostic system for mental health assessment. A prototype of the proposed platform, integrating three fine-tuned LLMs with the OpenAI-gpt-oss reasoning LLM, was developed in collaboration with the U.S. Army Medical Research Team in Norfolk, Virginia, USA. To the best of our knowledge, this work represents the first application of a fine-tuned LLM consortium integrated with a reasoning LLM for clinical mental health diagnosis paving the way for next-generation AI-powered eHealth systems aimed at standardizing psychiatric diagnoses.

The accurate prediction of oceanographic variables is crucial for understanding climate change, managing marine resources, and optimizing maritime activities. Traditional ocean forecasting relies on numerical models; however, these approaches face limitations in terms of computational cost and scalability. In this study, we adapt Aurora, a foundational deep learning model originally designed for atmospheric forecasting, to predict sea surface temperature (SST) in the Canary Upwelling System. By fine-tuning this model with high-resolution oceanographic reanalysis data, we demonstrate its ability to capture complex spatiotemporal patterns while reducing computational demands. Our methodology involves a staged fine-tuning process, incorporating latitude-weighted error metrics and optimizing hyperparameters for efficient learning. The experimental results show that the model achieves a low RMSE of 0.119K, maintaining high anomaly correlation coefficients (ACC $\approx 0.997$). The model successfully reproduces large-scale SST structures but faces challenges in capturing finer details in coastal regions. This work contributes to the field of data-driven ocean forecasting by demonstrating the feasibility of using deep learning models pre-trained in different domains for oceanic applications. Future improvements include integrating additional oceanographic variables, increasing spatial resolution, and exploring physics-informed neural networks to enhance interpretability and understanding. These advancements can improve climate modeling and ocean prediction accuracy, supporting decision-making in environmental and economic sectors.

There is an increase in global malware threats. To address this, an encryption-type ransomware has been introduced on the Android operating system. The challenges associated with malicious threats in phone use have become a pressing issue in mobile communication, disrupting user experiences and posing significant privacy threats. This study surveys commonly used machine learning techniques for detecting malicious threats in phones and examines their performance. The majority of past research focuses on customer feedback and reviews, with concerns that people might create false reviews to promote or devalue products and services for personal gain. Hence, the development of techniques for detecting malicious threats using machine learning has been a key focus. This paper presents a comprehensive comparative study of current research on the issue of malicious threats and methods for tackling these challenges. Nevertheless, a huge amount of information is required by these methods, presenting a challenge for developing robust, specialized automated anti-malware systems. This research describes the Android Applications dataset, and the accuracy of the techniques is measured using the accuracy levels of the metrics employed in this study.

Agentic AI represents a transformative shift in artificial intelligence, but its rapid advancement has led to a fragmented understanding, often conflating modern neural systems with outdated symbolic models -- a practice known as conceptual retrofitting. This survey cuts through this confusion by introducing a novel dual-paradigm framework that categorizes agentic systems into two distinct lineages: the Symbolic/Classical (relying on algorithmic planning and persistent state) and the Neural/Generative (leveraging stochastic generation and prompt-driven orchestration). Through a systematic PRISMA-based review of 90 studies (2018--2025), we provide a comprehensive analysis structured around this framework across three dimensions: (1) the theoretical foundations and architectural principles defining each paradigm; (2) domain-specific implementations in healthcare, finance, and robotics, demonstrating how application constraints dictate paradigm selection; and (3) paradigm-specific ethical and governance challenges, revealing divergent risks and mitigation strategies. Our analysis reveals that the choice of paradigm is strategic: symbolic systems dominate safety-critical domains (e.g., healthcare), while neural systems prevail in adaptive, data-rich environments (e.g., finance). Furthermore, we identify critical research gaps, including a significant deficit in governance models for symbolic systems and a pressing need for hybrid neuro-symbolic architectures. The findings culminate in a strategic roadmap arguing that the future of Agentic AI lies not in the dominance of one paradigm, but in their intentional integration to create systems that are both adaptable and reliable. This work provides the essential conceptual toolkit to guide future research, development, and policy toward robust and trustworthy hybrid intelligent systems.

Large language models (LLMs) are increasingly utilized by researchers across a wide range of domains, and qualitative social science is no exception; however, this adoption faces persistent challenges, including interpretive bias, low reliability, and weak auditability. We introduce a framework that situates LLM usage along two dimensions, interpretive depth and autonomy, thereby offering a straightforward way to classify LLM applications in qualitative research and to derive practical design recommendations. We present the state of the literature with respect to these two dimensions, based on all published social science papers available on Web of Science that use LLMs as a tool and not strictly as the subject of study. Rather than granting models expansive freedom, our approach encourages researchers to decompose tasks into manageable segments, much as they would when delegating work to capable undergraduate research assistants. By maintaining low levels of autonomy and selectively increasing interpretive depth only where warranted and under supervision, one can plausibly reap the benefits of LLMs while preserving transparency and reliability.

Formation control simplifies minimizing multi-robot cost functions by encoding a cost function as a shape the robots maintain. However, by reducing complex cost functions to formations, discrepancies arise between maintaining the shape and minimizing the original cost function. For example, a Diamond or Box formation shape is often used for protecting all members of the formation. When more information about the surrounding environment becomes available, a static shape often no longer minimizes the original protection cost. We propose a formation planner to reduce mismatch between a formation and the cost function while still leveraging efficient formation controllers. Our formation planner is a two-step optimization problem that identifies desired relative robot positions. We first solve a constrained problem to estimate non-linear and non-differentiable costs with a weighted sum of surrogate cost functions. We theoretically analyze this problem and identify situations where weights do not need to be updated. The weighted, surrogate cost function is then minimized using relative positions between robots. The desired relative positions are realized using a non-cooperative formation controller derived from Lyapunov's direct approach. We then demonstrate the efficacy of this approach for military-like costs such as protection and obstacle avoidance. In simulations, we show a formation planner can reduce a single cost by over 75%. When minimizing a variety of cost functions simultaneously, using a formation planner with adaptive weights can reduce the cost by 20-40%. Formation planning provides better performance by minimizing a surrogate cost function that closely approximates the original cost function instead of relying on a shape abstraction.

Forecasting transformative technologies remains a critical but challenging task, particularly in fast-evolving domains such as Information and Communication Technologies (ICTs). Traditional expert-based methods struggle to keep pace with short innovation cycles and ambiguous early-stage terminology. In this work, we propose a novel, data-driven pipeline to monitor the emergence of transformative technologies by identifying patterns of technological convergence. Our approach leverages advances in Large Language Models (LLMs) to extract semantic triples from unstructured text and construct a large-scale graph of technology-related entities and relations. We introduce a new method for grouping semantically similar technology terms (noun stapling) and develop graph-based metrics to detect convergence signals. The pipeline includes multi-stage filtering, domain-specific keyword clustering, and a temporal trend analysis of topic co-occurence. We validate our methodology on two complementary datasets: 278,625 arXiv preprints (2017--2024) to capture early scientific signals, and 9,793 USPTO patent applications (2018-2024) to track downstream commercial developments. Our results demonstrate that the proposed pipeline can identify both established and emerging convergence patterns, offering a scalable and generalizable framework for technology forecasting grounded in full-text analysis.