The high accuracy of large-scale weather forecasting models like Aurora is often accompanied by a lack of transparency, as their internal representations remain largely opaque. This "black box" nature hinders their adoption in high-stakes operational settings. In this work, we probe the physical consistency of Aurora's encoder by investigating whether its latent representations align with known physical and meteorological concepts. Using a large-scale dataset of embeddings, we train linear classifiers to identify three distinct concepts: the fundamental land-sea boundary, high-impact extreme temperature events, and atmospheric instability. Our findings provide quantitative evidence that Aurora learns physically consistent features, while also highlighting its limitations in capturing the rarest events. This work underscores the critical need for interpretability methods to validate and build trust in the next generation of Al-driven weather models.

The cost of error in many high-stakes settings is asymmetric: misdiagnosing pneumonia when absent is an inconvenience, but failing to detect it when present can be life-threatening. Because of this, artificial intelligence (AI) models used to assist such decisions are frequently trained with asymmetric loss functions that incorporate human decision-makers' trade-offs between false positives and false negatives. In two focal applications, we show that this standard alignment practice can backfire. In both cases, it would be better to train the machine learning model with a loss function that ignores the human's objective and then adjust predictions ex post according to that objective. We rationalize this result using an economic model of incentive design with endogenous information acquisition. The key insight from our theoretical framework is that machine classifiers perform not one but two incentivized tasks: choosing how to classify and learning how to classify. We show that while the adjustments engineers use correctly incentivize choosing, they can simultaneously reduce the incentives to learn. Our formal treatment of the problem reveals that methods embraced for their intuitive appeal can in fact misalign human and machine objectives in predictable ways.

Multi-view unsupervised feature selection (MUFS), which selects informative features from multi-view unlabeled data, has attracted increasing research interest in recent years. Although great efforts have been devoted to MUFS, several challenges remain: 1) existing methods for incomplete multi-view data are limited to handling missing views and are unable to address the more general scenario of missing variables, where some features have missing values in certain views; 2) most methods address incomplete data by first imputing missing values and then performing feature selection, treating these two processes independently and overlooking their interactions; 3) missing data can result in an inaccurate similarity graph, which reduces the performance of feature selection. To solve this dilemma, we propose a novel MUFS method for incomplete multi-view data with missing variables, termed Tensorized Reliable UnSupervised mulTi-view Feature Selection (TRUST-FS). TRUST-FS introduces a new adaptive-weighted CP decomposition that simultaneously performs feature selection, missing-variable imputation, and view weight learning within a unified tensor factorization framework. By utilizing Subjective Logic to acquire trustworthy cross-view similarity information, TRUST-FS facilitates learning a reliable similarity graph, which subsequently guides feature selection and imputation. Comprehensive experimental results demonstrate the effectiveness and superiority of our method over state-of-the-art methods.

The detection of ligand binding sites for proteins is a fundamental step in Structure-Based Drug Design. Despite notable advances in recent years, existing methods, datasets, and evaluation metrics are confronted with several key challenges: (1) current datasets and methods are centered on individual protein-ligand complexes and neglect that diverse binding sites may exist across multiple complexes of the same protein, introducing significant statistical bias; (2) ligand binding site detection is typically modeled as a discontinuous workflow, employing binary segmentation and subsequent clustering algorithms; (3) traditional evaluation metrics do not adequately reflect the actual performance of different binding site prediction methods. To address these issues, we first introduce UniSite-DS, the first UniProt (Unique Protein)-centric ligand binding site dataset, which contains 4.81 times more multi-site data and 2.08 times more overall data compared to the previously most widely used datasets. We then propose UniSite, the first end-to-end ligand binding site detection framework supervised by set prediction loss with bijective matching. In addition, we introduce Average Precision based on Intersection over Union (IoU) as a more accurate evaluation metric for ligand binding site prediction. Extensive experiments on UniSite-DS and several representative benchmark datasets demonstrate that IoU-based Average Precision provides a more accurate reflection of prediction quality, and that UniSite outperforms current state-of-the-art methods in ligand binding site detection. The dataset and codes will be made publicly available at https://github.com/quanlin-wu/unisite.

In this paper, we present SOCIA-$\nabla$, an end-to-end, agentic framework that treats simulator construction asinstance optimization over code within a textual computation graph. Specialized LLM-driven agents are embedded as graph nodes, and a workflow manager executes a loss-driven loop: code synthesis -> execution -> evaluation -> code repair. The optimizer performs Textual-Gradient Descent (TGD), while human-in-the-loop interaction is reserved for task-spec confirmation, minimizing expert effort and keeping the code itself as the trainable object. Across three CPS tasks, i.e., User Modeling, Mask Adoption, and Personal Mobility, SOCIA-$\nabla$ attains state-of-the-art overall accuracy. By unifying multi-agent orchestration with a loss-aligned optimization view, SOCIA-$\nabla$ converts brittle prompt pipelines into reproducible, constraint-aware simulator code generation that scales across domains and simulation granularities. We will release the code soon.

Coastal flooding poses increasing threats to communities worldwide, necessitating accurate and hyper-local inundation forecasting for effective emergency response. However, real-world deployment of forecasting systems is often constrained by sparse sensor networks, where only a limited subset of locations may have sensors due to budget constraints. To approach this challenge, we present DIFF -SPARSE, a masked conditional diffusion model designed for probabilistic coastal inundation forecasting from sparse sensor observations. DIFF -SPARSE primarily utilizes the inundation history of a location and its neighboring locations from a context time window as spatiotemporal context. The fundamental challenge of spatiotemporal prediction based on sparse observations in the context window is addressed by introducing a novel masking strategy during training. Digital elevation data and temporal co-variates are utilized as additional spatial and temporal contexts, respectively. A convolutional neural network and a conditional UNet architecture with cross-attention mechanism are employed to capture the spatiotemporal dynamics in the data. We trained and tested DIFF -SPARSE on coastal inundation data from the Eastern Shore of Virginia and systematically assessed the performance of DIFF -SPARSE across different sparsity levels 0%, 50%, 95% missing observations. Our experiment results show that DIFF -SPARSE achieves upto 62% improvement in terms of two forecasting performance metrics compared to existing methods, at 95% sparsity level. Moreover, our ablation studies reveal that digital elevation data becomes more useful at high sparsity levels compared to temporal co-variates.

While traditional probabilistic models such as Latent Dirichlet Allocation (LDA) (Blei et al., 2003) have been foundational, their underlying bag - of - words assumption limits their ability to capture complex semantics. A recent paradigm shift towards models like BERTopic (Grootendorst, 2022), a state - of - the - art (SOTA) model which leverages contextualized embeddings from pre - trained transformers, has shown significant promise in generating more semantically coherent topics. These models can capture nuanced relationships, including domain - speci fic named entities and morphologically rich constructs, critical for linguistically complex data. However, despite this progress, two significant gaps persist in literature. First, research has overwhelmingly focused on high - resource, standardized languages, with a lot of scope left for under - resourced languages to be unexplored. This focus not only limits the generalizability of existing models but also risks perp etuating a technological bias where the nuances of smaller linguistic communities are overlooked. Models trained on standard corpora often fail to capture the unique lexical and semantic patterns of regional dialects or sociolects, leading to a superficial or even inaccurate understanding of the underlying discourse (Kamilo g lu, 2025) . Second, the predominant application domain has been structured or short - form text like news articles or social media posts (Egger et al., 2022; Schäfer et al., 2024), while the challenges of modeling unstructured, open - ended personal narratives have received less attention. Distinct from the short - form, often decontextualized nature of social media data, daily narratives provide granular, contextually - grounded accounts of lived experience.

Multi-environment (M-En) networks integrate diverse traffic sources, including Internet of Things (IoT) and traditional computing systems, creating complex and evolving conditions for malicious traffic detection. Existing machine learning (ML)-based approaches, typically trained on static single-domain datasets, often fail to generalize across heterogeneous network environments. To address this gap, we develop a realistic Docker-NS3-based testbed that emulates both IoT and traditional traffic conditions, enabling the generation and capture of live, labeled network flows. The resulting M-En Dataset combines this traffic with curated public PCAP traces to provide comprehensive coverage of benign and malicious behaviors. Building on this foundation, we propose Multi-LF, a real-time continuous learning framework that combines a lightweight model (M1) for rapid detection with a deeper model (M2) for high-confidence refinement and adaptation. A confidence-based coordination mechanism enhances efficiency without compromising accuracy, while weight interpolation mitigates catastrophic forgetting during continuous updates. Features extracted at 1-second intervals capture fine-grained temporal patterns, enabling early recognition of evolving attack behaviors. Implemented and evaluated within the Docker-NS3 testbed on live traffic, Multi-LF achieves an accuracy of 0.999 while requiring human intervention for only 0.0026 percent of packets, demonstrating its effectiveness and practicality for real-time malicious traffic detection in heterogeneous network environments.

We introduce a novel Mutual Information (MI) estimator that fundamentally reframes the discriminative approach. Instead of training a classifier to discriminate between joint and marginal distributions, we learn a normalizing flow that transforms one into the other. This technique produces a computationally efficient and precise MI estimate that scales well to high dimensions and across a wide range of ground-truth MI values.

Abstract--Transmitter localization in Molecular Communication via Diffusion is a critical topic with many applications. However, accurate localization of multiple transmitters is a challenging problem due to the stochastic nature of diffusion and overlapping molecule distributions at the receiver surface. T o address these issues, we introduce clustering-based centroid correction methods that enhance robustness against density variations, and outliers. In addition, we propose two clustering-guided Residual Neural Networks, namely AngleNN for direction refinement and SizeNN for cluster size estimation. Experimental results show that both approaches provide significant improvements with reducing localization error between 69% (2-Tx) and 43% (4-Tx) compared to the K-means.