Understanding how atmospheric molecular clusters form and grow is key to resolving one of the biggest uncertainties in climate modelling: the formation of new aerosol particles. While quantum chemistry offers accurate insights into these early-stage clusters, its steep computational costs limit large-scale exploration. In this work, we present a fast, interpretable, and surprisingly powerful alternative: $k$-nearest neighbour ($k$-NN) regression model. By leveraging chemically informed distance metrics, including a kernel-induced metric and one learned via metric learning for kernel regression (MLKR), we show that simple $k$-NN models can rival more complex kernel ridge regression (KRR) models in accuracy, while reducing computational time by orders of magnitude. We perform this comparison with the well-established Faber-Christensen-Huang-Lilienfeld (FCHL19) molecular descriptor, but other descriptors (e.g., FCHL18, MBDF, and CM) can be shown to have similar performance. Applied to both simple organic molecules in the QM9 benchmark set and large datasets of atmospheric molecular clusters (sulphuric acid-water and sulphuric-multibase -base systems), our $k$-NN models achieve near-chemical accuracy, scale seamlessly to datasets with over 250,000 entries, and even appears to extrapolate to larger unseen clusters with minimal error (often nearing 1 kcal/mol). With built-in interpretability and straightforward uncertainty estimation, this work positions $k$-NN as a potent tool for accelerating discovery in atmospheric chemistry and beyond.

Objective: Lung cancer is a leading cause of cancer-related mortality worldwide, primarily due to delayed diagnosis and poor early detection. This study aims to develop a computer-aided diagnosis (CAD) system that leverages large vision-language models (VLMs) for the accurate detection and classification of pulmonary nodules in computed tomography (CT) scans. Methods: We propose an end-to-end CAD pipeline consisting of two modules: (i) a detection module (CADe) based on the Segment Anything Model 2 (SAM2), in which the standard visual prompt is replaced with a text prompt encoded by CLIP (Contrastive Language-Image Pretraining), and (ii) a diagnosis module (CADx) that calculates similarity scores between segmented nodules and radiomic features. To add clinical context, synthetic electronic medical records (EMRs) were generated using radiomic assessments by expert radiologists and combined with similarity scores for final classification. The method was tested on the publicly available LIDC-IDRI dataset (1,018 CT scans). Results: The proposed approach demonstrated strong performance in zero-shot lung nodule analysis. The CADe module achieved a Dice score of 0.92 and an IoU of 0.85 for nodule segmentation. The CADx module attained a specificity of 0.97 for malignancy classification, surpassing existing fully supervised methods. Conclusions: The integration of VLMs with radiomics and synthetic EMRs allows for accurate and clinically relevant CAD of pulmonary nodules in CT scans. The proposed system shows strong potential to enhance early lung cancer detection, increase diagnostic confidence, and improve patient management in routine clinical workflows.

Anomaly detection in dynamic graphs is essential for identifying malicious activities, fraud, and unexpected behaviors in real-world systems such as cybersecurity and power grids. However, existing approaches struggle with scalability, probabilistic interpretability, and adaptability to evolving traffic patterns. In this paper, we propose ADAPTIVE-GRAPHSKETCH, a lightweight and scalable framework for real-time anomaly detection in streaming edge data. Our method integrates temporal multi-tensor sketching with Count-Min Sketch using Conservative Update (CMS-CU) to compactly track edge frequency patterns with bounded memory, while mitigating hash collision issues. We incorporate Bayesian inference for probabilistic anomaly scoring and apply Exponentially Weighted Moving Average (EWMA) for adaptive thresholding tuned to burst intensity. Extensive experiments on four real-world intrusion detection datasets demonstrate that ADAPTIVE-GRAPHSKETCH outperforms state-of-the-art baselines such as ANOEDGE-G/L, MIDAS-R, and F-FADE, achieving up to 6.5% AUC gain on CIC-IDS2018 and up to 15.6% on CIC-DDoS2019, while processing 20 million edges in under 3.4 seconds using only 10 hash functions. Our results show that ADAPTIVE-GRAPHSKETCH is practical and effective for fast, accurate anomaly detection in large-scale streaming graphs. Keywords: Anomaly Detection, Streaming, Real-time, Dynamic Graphs, Edge Streams, Tensor Sketching

Although large Language Models (LLMs) have achieved remarkable success, their practical application is often hindered by the generation of non-factual content, which is called "hallucination". Ensuring the reliability of LLMs' outputs is a critical challenge, particularly in high-stakes domains such as finance, security, and healthcare. In this work, we revisit hallucination detection from the perspective of model architecture and generation dynamics. Leveraging the multi-layer structure and autoregressive decoding process of LLMs, we decompose hallucination signals into two complementary dimensions: the semantic breadth of token representations within each layer, and the semantic depth of core concepts as they evolve across layers. Based on this insight, we propose \textbf{D$^2$HScore (Dispersion and Drift-based Hallucination Score)}, a training-free and label-free framework that jointly measures: (1) \textbf{Intra-Layer Dispersion}, which quantifies the semantic diversity of token representations within each layer; and (2) \textbf{Inter-Layer Drift}, which tracks the progressive transformation of key token representations across layers. To ensure drift reflects the evolution of meaningful semantics rather than noisy or redundant tokens, we guide token selection using attention signals. By capturing both the horizontal and vertical dynamics of representation during inference, D$^2$HScore provides an interpretable and lightweight proxy for hallucination detection. Extensive experiments across five open-source LLMs and five widely used benchmarks demonstrate that D$^2$HScore consistently outperforms existing training-free baselines.

Drug repurposing has historically been an economically infeasible process for identifying novel uses for abandoned drugs. Modern machine learning has enabled the identification of complex biochemical intricacies in candidate drugs; however, many studies rely on simplified datasets with known drug-disease similarities. We propose a machine learning pipeline that uses unsupervised deep embedded clustering, combined with supervised graph neural network link prediction to identify new drug-disease links from multi-omic data. Unsupervised autoencoder and cluster training reduced the dimensionality of omic data into a compressed latent embedding. A total of 9,022 unique drugs were partitioned into 35 clusters with a mean silhouette score of 0.8550. Graph neural networks achieved strong statistical performance, with a prediction accuracy of 0.901, receiver operating characteristic area under the curve of 0.960, and F1-Score of 0.901. A ranked list comprised of 477 per-cluster link probabilities exceeding 99 percent was generated. This study could provide new drug-disease link prospects across unrelated disease domains, while advancing the understanding of machine learning in drug repurposing studies.

Abstract-- With the rapid development of the new energy vehicle industry, the efficient disassembly and recycling of power batteries have become a critical challenge for the circular economy. In current unstructured disassembly scenarios, the dynamic nature of the environment severely limits the robustness of robotic perception, posing a significant barrier to autonomous disassembly in industrial applications. This paper proposes a continual learning framework based on Neuro-Symbolic task and motion planning (T AMP) to enhance the adaptability of embodied intelligence systems in dynamic environments. Our approach integrates a multimodal perception cross-validation mechanism into a bidirectional reasoning flow: the forward working flow dynamically refines and optimizes action strategies, while the backward learning flow autonomously collects effective data from historical task executions to facilitate continual system learning, enabling self-optimization. Experimental results show that the proposed framework improves the task success rate in dynamic disassembly scenarios from 81.68% to 100%, while reducing the average number of perception misjudgments from 3.389 to 1.128. This research provides a new paradigm for enhancing the robustness and adaptability of embodied intelligence in complex industrial environments. I. INTRODUCTION With the rapid development of Industry 4.0 and the circular economy, industrial disassembly has become a critical link in intelligent manufacturing and resource recycling, facing unprecedented technical challenges [1], [2].

Imbalanced classification is a significant challenge in machine learning, especially in critical applications like medical diagnosis, fraud detection, and cybersecurity. Traditional oversampling techniques, such as SMOTE, often fail to handle label noise and complex data distributions, leading to reduced classification accuracy. In this paper, we propose GK-SMOTE, a hyperparameter-free, noise-resilient extension of SMOTE, built on Gaussian Kernel Density Estimation (KDE). GK-SMOTE enhances class separability by generating synthetic samples in high-density minority regions, while effectively avoiding noisy or ambiguous areas. This self-adaptive approach uses Gaussian KDE to differentiate between safe and noisy regions, ensuring more accurate sample generation without requiring extensive parameter tuning. Our extensive experiments on diverse binary classification datasets demonstrate that GK-SMOTE outperforms existing state-of-the-art oversampling techniques across key evaluation metrics, including MCC, Balanced Accuracy, and AUPRC. The proposed method offers a robust, efficient solution for imbalanced classification tasks, especially in noisy data environments, making it an attractive choice for real-world applications.

Personal use of this material is permitted. This work has been accepted for publication in the proceedings of the 2025 Advances in Science and Engineering Technology International Conferences (ASET). Zaheeruddin Ahmed Department of Computer Science & Engineering Manipal Academy of Higher Education Dubai, UAE zaheeruddin@manipaldubai.com Abstract -- Audio - based equipment condition monitoring suffers from a lack of standardized methodologies for algorithm selection, hindering reproducible research. Leveraging a rich 127 - feature set across time, frequency, and time - frequency domains, our methodology is validated on both synthetic and real - world datasets. Results demonstrate that an ensemble method achieves superior performance (94.2% accuracy, 0.942 F1 - score), with statistical testing confirming its significant outperformance of individual algorithms by 8 - 15%.

Transfer learning is commonly utilized in various fields such as computer vision, natural language processing, and medical imaging due to its impressive capability to address subtasks and work with different datasets. However, its application in cybersecurity has not been thoroughly explored. In this paper, we present an innovative neurosymbolic AI framework designed for network intrusion detection systems, which play a crucial role in combating malicious activities in cybersecurity. Our framework leverages transfer learning and uncertainty quantification. The findings indicate that transfer learning models, trained on large and well-structured datasets, outperform neural-based models that rely on smaller datasets, paving the way for a new era in cybersecurity solutions.

Large Language Models (LLMs) have shown strong performance in text-based healthcare tasks. However, their utility in image-based applications remains unexplored. We investigate the effectiveness of LLMs for medical imaging tasks, specifically glioma classification and segmentation, and compare their performance to that of traditional convolutional neural networks (CNNs). Using the BraTS 2020 dataset of multi-modal brain MRIs, we evaluated a general-purpose vision-language LLM (LLaMA 3.2 Instruct) both before and after fine-tuning, and benchmarked its performance against custom 3D CNNs. For glioma classification (Low-Grade vs. High-Grade), the CNN achieved 80% accuracy and balanced precision and recall. The general LLM reached 76% accuracy but suffered from a specificity of only 18%, often misclassifying Low-Grade tumors. Fine-tuning improved specificity to 55%, but overall performance declined (e.g., accuracy dropped to 72%). For segmentation, three methods - center point, bounding box, and polygon extraction, were implemented. CNNs accurately localized gliomas, though small tumors were sometimes missed. In contrast, LLMs consistently clustered predictions near the image center, with no distinction of glioma size, location, or placement. Fine-tuning improved output formatting but failed to meaningfully enhance spatial accuracy. The bounding polygon method yielded random, unstructured outputs. Overall, CNNs outperformed LLMs in both tasks. LLMs showed limited spatial understanding and minimal improvement from fine-tuning, indicating that, in their current form, they are not well-suited for image-based tasks. More rigorous fine-tuning or alternative training strategies may be needed for LLMs to achieve better performance, robustness, and utility in the medical space.