Transcranial magnetic stimulation (TMS) is a non-invasive and safe brain stimulation procedure with growing applications in clinical treatments and neuroscience research. However, achieving precise stimulation over prolonged sessions poses significant challenges. By integrating advanced robotics with conventional TMS, robot-assisted TMS (Robo-TMS) has emerged as a promising solution to enhance efficacy and streamline procedures. Despite growing interest, a comprehensive review from an engineering perspective has been notably absent. This paper systematically examines four critical aspects of Robo-TMS: hardware and integration, calibration and registration, neuronavigation systems, and control systems. We review state-of-the-art technologies in each area, identify current limitations, and propose future research directions. Our findings suggest that broader clinical adoption of Robo-TMS is currently limited by unverified clinical applicability, high operational complexity, and substantial implementation costs. Emerging technologies, including marker-less tracking, non-rigid registration, learning-based electric field (E-field) modelling, individualised magnetic resonance imaging (MRI) generation, robot-assisted multi-locus TMS (Robo-mTMS), and automated calibration and registration, present promising pathways to address these challenges.

Graph neural networks (GNNs) have achieved remarkable success in molecular property prediction. However, traditional graph representations struggle to effectively encode the inherent 3D spatial structures of molecules, as molecular orientations in 3D space introduce significant variability, severely limiting model generalization and robustness. Existing approaches primarily focus on rotation-invariant and rotation-equivariant methods. Invariant methods often rely heavily on prior knowledge and lack sufficient generalizability, while equivariant methods suffer from high computational costs. To address these limitations, this paper proposes a novel plug-and-play 3D encoding module leveraging rotational sampling. By computing the expectation over the SO(3) rotational group, the method naturally achieves approximate rotational invariance. Furthermore, by introducing a carefully designed post-alignment strategy, strict invariance can be achieved without compromising performance. Experimental evaluations on the QM9 and C10 Datasets demonstrate superior predictive accuracy, robustness, and generalization performance compared to existing methods. Moreover, the proposed approach maintains low computational complexity and enhanced interpretability, providing a promising direction for efficient and effective handling of 3D molecular information in drug discovery and material design.

As data and knowledge expand rapidly, adopting systematic methodologies for ontology generation has become crucial. With the daily increases in data volumes and frequent content changes, the demand for databases to store and retrieve information for the creation of knowledge graphs has become increasingly urgent. The previously established Knowledge Acquisition and Representation Methodology (KNARM) outlines a systematic approach to address these challenges and create knowledge graphs. However, following this methodology highlights the existing challenge of seamlessly integrating Neo4j databases with the Web Ontology Language (OWL). Previous attempts to integrate data from Neo4j into an ontology have been discussed, but these approaches often require an understanding of description logics (DL) syntax, which may not be familiar to many users. Thus, a more accessible method is necessary to bridge this gap. This paper presents a user-friendly approach that utilizes Python and its rdflib library to support ontology development. We showcase our novel approach through a Neo4j database we created by integrating data from the Food and Drug Administration (FDA) Adverse Event Reporting System (FAERS) database. Using this dataset, we developed a Python script that automatically generates the required classes and their axioms, facilitating a smoother integration process. This approach offers a practical solution to the challenges of ontology generation in the context of rapidly growing adverse drug event datasets, supporting improved drug safety monitoring and public health decision-making.

Sampling physically valid ligand-binding poses remains a major challenge in molecular docking, particularly for unseen or structurally diverse targets. We introduce PocketVina, a fast and memory-efficient, search-based docking framework that combines pocket prediction with systematic multi-pocket exploration. We evaluate PocketVina across four established benchmarks--PDBbind2020 (timesplit and unseen), DockGen, Astex, and PoseBusters--and observe consistently strong performance in sampling physically valid docking poses. PocketVina achieves state-of-the-art performance when jointly considering ligand RMSD and physical validity (PB-valid), while remaining competitive with deep learning-based approaches in terms of RMSD alone, particularly on structurally diverse and previously unseen targets. PocketVina also maintains state-of-the-art physically valid docking accuracy across ligands with varying degrees of flexibility. We further introduce TargetDock-AI, a benchmarking dataset we curated, consisting of over 500000 protein-ligand pairs, and a partition of the dataset labeled with PubChem activity annotations. On this large-scale dataset, PocketVina successfully discriminates active from inactive targets, outperforming a deep learning baseline while requiring significantly less GPU memory and runtime. PocketVina offers a robust and scalable docking strategy that requires no task-specific training and runs efficiently on standard GPUs, making it well-suited for high-throughput virtual screening and structure-based drug discovery.

Federated Learning (FL) enables the utilization of vast, previously inaccessible data sources. At the same time, pre-trained Language Models (LMs) have taken the world by storm and for good reason. They exhibit remarkable emergent abilities and are readily adapted to downstream tasks. This opens one of the most exciting frontiers in FL: fine-tuning LMs. Yet, a persistent challenge in FL is the frequent, rigid communication of parameters -- a problem magnified by the sheer size of these contemporary models. The FedOpt family of algorithms has become the go-to approach for FL, relying on fixed but arbitrary intervals for model exchanges. Recently, the FDA algorithm prescribed a dynamic approach by monitoring the training progress. However, it introduced a hard-to-calibrate parameter and imposed a rigid synchronization scheme. In this work, we address these limitations by proposing the FDA-Opt family of algorithms -- a unified generalization of both FDA and FedOpt. Our experimental evaluation focuses on fine-tuning LMs on downstream NLP tasks and demonstrates that FDA-Opt outperforms FedOpt even when it is configured with hyper-parameters specifically optimized for the latter. In other words, we show that FDA-Opt is a practical, drop-in replacement for FedOpt in modern FL libraries and systems: it requires no additional configuration and delivers superior performance out of the box.

Reinforcement learning (RL) agents are capable of making complex decisions in dynamic environments, yet their behavior often remains opaque. When an agent executes a sequence of actions--such as administering insulin to a diabetic patient or controlling a spacecraft's landing--it is rarely clear how outcomes might have changed under alternative choices. This challenge becomes particularly pronounced in settings involving continuous action spaces, where decisions are not confined to discrete options but span a spectrum of real-valued magnitudes. The framework introduced in recent work aims to generate counterfactual explanations in such settings, offering a structured approach to explore "what if" scenarios. The value of counterfactual reasoning in RL becomes apparent in scenarios with high-stakes, temporally extended consequences.

The integration of AI/ML into medical devices is rapidly transforming healthcare by enhancing diagnostic and treatment facilities. However, this advancement also introduces serious cybersecurity risks due to the use of complex and often opaque models, extensive interconnectivity, interoperability with third-party peripheral devices, Internet connectivity, and vulnerabilities in the underlying technologies. These factors contribute to a broad attack surface and make threat prevention, detection, and mitigation challenging. Given the highly safety-critical nature of these devices, a cyberattack on these devices can cause the ML models to mispredict, thereby posing significant safety risks to patients. Therefore, ensuring the security of these devices from the time of design is essential. This paper underscores the urgency of addressing the cybersecurity challenges in ML-enabled medical devices at the pre-market phase. We begin by analyzing publicly available data on device recalls and adverse events, and known vulnerabilities, to understand the threat landscape of AI/ML-enabled medical devices and their repercussions on patient safety. Building on this analysis, we introduce a suite of tools and techniques designed by us to assist security analysts in conducting comprehensive premarket risk assessments. Our work aims to empower manufacturers to embed cybersecurity as a core design principle in AI/ML-enabled medical devices, thereby making them safe for patients.

This paper explores the growing presence of emotionally responsive artificial intelligence through a critical and interdisciplinary lens. Bringing together the voices of early-career researchers from multiple fields, it explores how AI systems that simulate or interpret human emotions are reshaping our interactions in areas such as education, healthcare, mental health, caregiving, and digital life. The analysis is structured around four central themes: the ethical implications of emotional AI, the cultural dynamics of human-machine interaction, the risks and opportunities for vulnerable populations, and the emerging regulatory, design, and technical considerations. The authors highlight the potential of affective AI to support mental well-being, enhance learning, and reduce loneliness, as well as the risks of emotional manipulation, over-reliance, misrepresentation, and cultural bias. Key challenges include simulating empathy without genuine understanding, encoding dominant sociocultural norms into AI systems, and insufficient safeguards for individuals in sensitive or high-risk contexts. Special attention is given to children, elderly users, and individuals with mental health challenges, who may interact with AI in emotionally significant ways. However, there remains a lack of cognitive or legal protections which are necessary to navigate such engagements safely. The report concludes with ten recommendations, including the need for transparency, certification frameworks, region-specific fine-tuning, human oversight, and longitudinal research. A curated supplementary section provides practical tools, models, and datasets to support further work in this domain.

Background: Alzheimer's disease and related dementias (ADRD) are progressive neurodegenerative conditions where early detection is vital for timely intervention and care. Spontaneous speech contains rich acoustic and linguistic markers that may serve as non-invasive biomarkers for cognitive decline. Foundation models, pre-trained on large-scale audio or text data, produce high-dimensional embeddings encoding contextual and acoustic features. Methods: We used the PREPARE Challenge dataset, which includes audio recordings from over 1,600 participants with three cognitive statuses: healthy control (HC), mild cognitive impairment (MCI), and Alzheimer's Disease (AD). We excluded non-English, non-spontaneous, or poor-quality recordings. The final dataset included 703 (59.13%) HC, 81 (6.81%) MCI, and 405 (34.06%) AD cases. We benchmarked a range of open-source foundation speech and language models to classify cognitive status into the three categories. Results: The Whisper-medium model achieved the highest performance among speech models (accuracy = 0.731, AUC = 0.802). Among language models, BERT with pause annotation performed best (accuracy = 0.662, AUC = 0.744). ADRD detection using state-of-the-art automatic speech recognition (ASR) model-generated audio embeddings outperformed others. Including non-semantic features like pause patterns consistently improved text-based classification. Conclusion: This study introduces a benchmarking framework using foundation models and a clinically relevant dataset. Acoustic-based approaches -- particularly ASR-derived embeddings -- demonstrate strong potential for scalable, non-invasive, and cost-effective early detection of ADRD.

The site of the secret Manhattan Project in Oak Ridge, Tennessee has a new mission to help achieve an A.I. advantage over China. A new uranium enrichment facility in Oak Ridge will supply nuclear fuel to the reactors that power A.I. data centers. Over 80 years after scientists of the'Manhattan Project' harnessed the power of the atom to end World War II, the top-secret worksite has a new mission to help dominate AI before China does. The first phase of the United States' latest uranium enrichment facility opened in Oak Ridge, Tennessee in May. Uranium powers the nuclear reactors the AI data centers are turning to for reliable energy.