The identification of drug-target interactions (DTI) is critical for drug discovery and repositioning, as it reveals potential therapeutic uses of existing drugs, accelerating development and reducing costs. However, most existing models focus only on direct similarity in homogeneous graphs, failing to exploit the rich similarity in heterogeneous graphs. To address this gap, inspired by real-world social interaction behaviors, we propose SOC-DGL, which comprises two specialized modules: the Affinity-Driven Graph Learning (ADGL) module, learning global similarity through an affinity-enhanced drug-target graph, and the Equilibrium-Driven Graph Learning (EDGL) module, capturing higher-order similarity by amplifying the influence of even-hop neighbors using an even-polynomial graph filter based on balance theory. This dual approach enables SOC-DGL to effectively capture similarity information across multiple interaction scales within affinity and association matrices. To address the issue of imbalance in DTI datasets, we propose an adjustable imbalance loss function that adjusts the weight of negative samples by the parameter. Extensive experiments on four benchmark datasets demonstrate that SOC-DGL consistently outperforms existing state-of-the-art methods across both balanced and imbalanced scenarios. Moreover, SOC-DGL successfully predicts the top 9 drugs known to bind ABL1, and further analyzed the 10th drug, which has not been experimentally confirmed to interact with ABL1, providing supporting evidence for its potential binding.

To facilitate robust and trustworthy deployment of large language models (LLMs), it is essential to quantify the reliability of their generations through uncertainty estimation. While recent efforts have made significant advancements by leveraging the internal logic and linguistic features of LLMs to estimate uncertainty scores, our empirical analysis highlights the pitfalls of these methods to strike a harmonized estimation between indication, balance, and calibration, which hinders their broader capability for accurate uncertainty estimation. To address this challenge, we propose CUE (Corrector for Uncertainty Estimation): A straightforward yet effective method that employs a lightweight model trained on data aligned with the target LLM's performance to adjust uncertainty scores. Comprehensive experiments across diverse models and tasks demonstrate its effectiveness, which achieves consistent improvements of up to 60% over existing methods.

Kolmogorov Arnold Networks (KANs) are recent architectural advancement in neural computation that offer a mathematically grounded alternative to standard neural networks. This study presents an empirical evaluation of KANs in context of class imbalanced classification, using ten benchmark datasets. We observe that KANs can inherently perform well on raw imbalanced data more effectively than Multi-Layer Perceptrons (MLPs) without any resampling strategy. However, conventional imbalance strategies fundamentally conflict with KANs mathematical structure as resampling and focal loss implementations significantly degrade KANs performance, while marginally benefiting MLPs. Crucially, KANs suffer from prohibitive computational costs without proportional performance gains. Statistical validation confirms that MLPs with imbalance techniques achieve equivalence with KANs (|d| < 0.08 across metrics) at minimal resource costs. These findings reveal that KANs represent a specialized solution for raw imbalanced data where resources permit. But their severe performance-resource tradeoffs and incompatibility with standard resampling techniques currently limits practical deployment. We identify critical research priorities as developing KAN specific architectural modifications for imbalance learning, optimizing computational efficiency, and theoretical reconciling their conflict with data augmentation. This work establishes foundational insights for next generation KAN architectures in imbalanced classification scenarios.

This study proposes the Cognitive Pairwise Comparison Classification Model Selection (CPC-CMS) framework for document-level sentiment analysis. The CPC, based on expert knowledge judgment, is used to calculate the weights of evaluation criteria, including accuracy, precision, recall, F1-score, specificity, Matthews Correlation Coefficient (MCC), Cohen's Kappa (Kappa), and efficiency. Naive Bayes, Linear Support Vector Classification (LSVC), Random Forest, Logistic Regression, Extreme Gradient Boosting (XGBoost), Long Short-Term Memory (LSTM), and A Lite Bidirectional Encoder Representations from Transformers (ALBERT) are chosen as classification baseline models. A weighted decision matrix consisting of classification evaluation scores with respect to criteria weights, is formed to select the best classification model for a classification problem. Three open datasets of social media are used to demonstrate the feasibility of the proposed CPC-CMS. Based on our simulation, for evaluation results excluding the time factor, ALBERT is the best for the three datasets; if time consumption is included, no single model always performs better than the other models. The CPC-CMS can be applied to the other classification applications in different areas.

To overcome these significant challenges, we propose two novel architectures designed to integrate domain knowledge about drug side effects into a Llama 3 - 8B Language Model: Retrieval Augmented Generation (RAG) and GraphRAG. Our first architecture employs RAG, which enhances LLMs by retrieving relevant information from an external Pinecone vector database where drug side effect information is stored as feature vectors. The second architecture utilizes GraphRAG, which leverages a Neo4j graph database to stor e and efficiently handle more complex relationships of drug side effect associations. Both frameworks incorporate custom split functions and filtering modules to optimize user prompts for accurate retrieval. Through extensive evaluations on 19,520 associat ions between 976 marketed drugs and 3,851 unique side effect terms, we demonstrate that GraphRAG achieves near - perfect accuracy in drug side effect retrieval, significantly outperforming standalone LLMs and standard RAG approaches.

To address the challenges posed by cascading reactions caused by component failures in autonomous cargo ships (ACS) and the uncertainties in emergency decision-making, this paper proposes a novel hybrid feature fusion framework for constructing a graph-structured dataset of failure modes. By employing an improved cuckoo search algorithm (HN-CSA), the literature retrieval efficiency is significantly enhanced, achieving improvements of 7.1% and 3.4% compared to the NSGA-II and CSA search algorithms, respectively. A hierarchical feature fusion framework is constructed, using Word2Vec encoding to encode subsystem/component features, BERT-KPCA to process failure modes/reasons, and Sentence-BERT to quantify the semantic association between failure impact and emergency decision-making. The dataset covers 12 systems, 1,262 failure modes, and 6,150 propagation paths. Validation results show that the GATE-GNN model achieves a classification accuracy of 0.735, comparable to existing benchmarks. Additionally, a silhouette coefficient of 0.641 indicates that the features are highly distinguishable. In the label prediction results, the Shore-based Meteorological Service System achieved an F1 score of 0.93, demonstrating high prediction accuracy. This paper not only provides a solid foundation for failure analysis in autonomous cargo ships but also offers reliable support for fault diagnosis, risk assessment, and intelligent decision-making systems. The link to the dataset is https://github.com/wojiufukele/Graph-Structured-about-CSA.

Traditional echocardiographic parameters such as ejection fraction (EF) and global longitudinal strain (GLS) have limitations in the early detection of cardiac dysfunction. EF often remains normal despite underlying pathology, and GLS is influenced by load conditions and vendor variability. There is a growing need for reproducible, interpretable, and operator-independent parameters that capture subtle and global cardiac functional alterations. We introduce the Acoustic Index, a novel AI-derived echocardiographic parameter designed to quantify cardiac dysfunction from standard ultrasound views. The model combines Extended Dynamic Mode Decomposition (EDMD) based on Koopman operator theory with a hybrid neural network that incorporates clinical metadata. Spatiotemporal dynamics are extracted from echocardiographic sequences to identify coherent motion patterns. These are weighted via attention mechanisms and fused with clinical data using manifold learning, resulting in a continuous score from 0 (low risk) to 1 (high risk). In a prospective cohort of 736 patients, encompassing various cardiac pathologies and normal controls, the Acoustic Index achieved an area under the curve (AUC) of 0.89 in an independent test set. Cross-validation across five folds confirmed the robustness of the model, showing that both sensitivity and specificity exceeded 0.8 when evaluated on independent data. Threshold-based analysis demonstrated stable trade-offs between sensitivity and specificity, with optimal discrimination near this threshold. The Acoustic Index represents a physics-informed, interpretable AI biomarker for cardiac function. It shows promise as a scalable, vendor-independent tool for early detection, triage, and longitudinal monitoring. Future directions include external validation, longitudinal studies, and adaptation to disease-specific classifiers.

Video generation models have achieved remarkable progress in creating high-quality, photorealistic content. However, their ability to accurately simulate physical phenomena remains a critical and unresolved challenge. This paper presents PhyWorldBench, a comprehensive benchmark designed to evaluate video generation models based on their adherence to the laws of physics. The benchmark covers multiple levels of physical phenomena, ranging from fundamental principles like object motion and energy conservation to more complex scenarios involving rigid body interactions and human or animal motion. Additionally, we introduce a novel ""Anti-Physics"" category, where prompts intentionally violate real-world physics, enabling the assessment of whether models can follow such instructions while maintaining logical consistency. Besides large-scale human evaluation, we also design a simple yet effective method that could utilize current MLLM to evaluate the physics realism in a zero-shot fashion. We evaluate 12 state-of-the-art text-to-video generation models, including five open-source and five proprietary models, with a detailed comparison and analysis. we identify pivotal challenges models face in adhering to real-world physics. Through systematic testing of their outputs across 1,050 curated prompts-spanning fundamental, composite, and anti-physics scenarios-we identify pivotal challenges these models face in adhering to real-world physics. We then rigorously examine their performance on diverse physical phenomena with varying prompt types, deriving targeted recommendations for crafting prompts that enhance fidelity to physical principles.

With the rapid rise of generative AI and synthetic media, distinguishing AI-generated images from real ones has become crucial in safeguarding against misinformation and ensuring digital authenticity. Traditional watermarking techniques have shown vulnerabilities to adversarial attacks, undermining their effectiveness in the presence of attackers. W e propose IConMark, a novel in-generation robust semantic watermarking method that embeds interpretable concepts into AI-generated images, as a first step toward interpretable watermarking. Unlike traditional methods, which rely on adding noise or perturbations to AI-generated images, IConMark incorporates meaningful semantic attributes, making it interpretable to humans and hence, resilient to adversarial manipulation. This method is not only robust against various image augmentations but also human-readable, enabling manual verification of watermarks. W e demonstrate a detailed evaluation of IConMark's effectiveness, demonstrating its superiority in terms of detection accuracy and maintaining image quality. Moreover, IConMark can be combined with existing watermarking techniques to further enhance and complement its robustness. W e introduce IConMark+SS and ICon-Mark+TM, hybrid approaches combining IConMark with StegaStamp and TrustMark, respectively, to further bolster robustness against multiple types of image manipulations. Our base watermarking technique (IConMark) and its variants (+TM and +SS) achieve 10.8%, 14.5%, and 15.9% higher mean area under the receiver operating characteristic curve (AUROC) scores for watermark detection, respectively, compared to the best baseline on various datasets.

Transcription Factor Binding Site (TFBS) prediction is crucial for understanding gene regulation and various biological processes. This study introduces a novel Mixture of Experts (MoE) approach for TFBS prediction, integrating multiple pre-trained Convolutional Neural Network (CNN) models, each specializing in different TFBS patterns. We evaluate the performance of our MoE model against individual expert models on both in-distribution and out-of-distribution (OOD) datasets, using six randomly selected transcription factors (TFs) for OOD testing. Our results demonstrate that the MoE model achieves competitive or superior performance across diverse TF binding sites, particularly excelling in OOD scenarios. The Analysis of Variance (ANOVA) statistical test confirms the significance of these performance differences. Additionally, we introduce ShiftSmooth, a novel attribution mapping technique that provides more robust model interpretability by considering small shifts in input sequences. Through comprehensive explainability analysis, we show that ShiftSmooth offers superior attribution for motif discovery and localization compared to traditional Vanilla Gradient methods. Our work presents an efficient, generalizable, and interpretable solution for TFBS prediction, potentially enabling new discoveries in genome biology and advancing our understanding of transcriptional regulation.