The use of large language models (LLMs) in hiring promises to streamline candidate screening, but it also raises serious concerns regarding accuracy and algorithmic bias where sufficient safeguards are not in place. In this work, we benchmark several state-of-the-art foundational LLMs - including models from OpenAI, Anthropic, Google, Meta, and Deepseek, and compare them with our proprietary domain-specific hiring model (Match Score) for job candidate matching. We evaluate each model's predictive accuracy (ROC AUC, Precision-Recall AUC, F1-score) and fairness (impact ratio of cut-off analysis across declared gender, race, and intersectional subgroups). Our experiments on a dataset of roughly 10,000 real-world recent candidate-job pairs show that Match Score outperforms the general-purpose LLMs on accuracy (ROC AUC 0.85 vs 0.77) and achieves significantly more equitable outcomes across demographic groups. Notably, Match Score attains a minimum race-wise impact ratio of 0.957 (near-parity), versus 0.809 or lower for the best LLMs, (0.906 vs 0.773 for the intersectionals, respectively). We discuss why pretraining biases may cause LLMs with insufficient safeguards to propagate societal biases in hiring scenarios, whereas a bespoke supervised model can more effectively mitigate these biases. Our findings highlight the importance of domain-specific modeling and bias auditing when deploying AI in high-stakes domains such as hiring, and caution against relying on off-the-shelf LLMs for such tasks without extensive fairness safeguards. Furthermore, we show with empirical evidence that there shouldn't be a dichotomy between choosing accuracy and fairness in hiring: a well-designed algorithm can achieve both accuracy in hiring and fairness in outcomes.

Existing threat modeling frameworks related to transportation cyber-physical systems (CPS) are often narrow in scope, labor-intensive, and require substantial cybersecurity expertise. To this end, we introduce the Transportation Cybersecurity and Resiliency Threat Modeling Framework (TraCR-TMF), a large language model (LLM)-based threat modeling framework for transportation CPS that requires limited cybersecurity expert intervention. TraCR-TMF identifies threats, potential attack techniques, and relevant countermeasures for transportation CPS. Three LLM-based approaches support these identifications: (i) a retrieval-augmented generation approach requiring no cybersecurity expert intervention, (ii) an in-context learning approach with low expert intervention, and (iii) a supervised fine-tuning approach with moderate expert intervention. TraCR-TMF offers LLM-based attack path identification for critical assets based on vulnerabilities across transportation CPS entities. Additionally, it incorporates the Common Vulnerability Scoring System (CVSS) scores of known exploited vulnerabilities to prioritize threat mitigations. The framework was evaluated through two cases. First, the framework identified relevant attack techniques for various transportation CPS applications, 73% of which were validated by cybersecurity experts as correct. Second, the framework was used to identify attack paths for a target asset in a real-world cyberattack incident. TraCR-TMF successfully predicted exploitations, like lateral movement of adversaries, data exfiltration, and data encryption for ransomware, as reported in the incident. These findings show the efficacy of TraCR-TMF in transportation CPS threat modeling, while reducing the need for extensive involvement of cybersecurity experts. To facilitate real-world adoptions, all our codes are shared via an open-source repository.

The automatic analysis of document layouts in digital-born PDF documents remains a challenging problem due to the heterogeneous arrangement of textual and nontextual elements and the imprecision of the textual metadata in the Portable Document Format. In this work, we benchmark Graph Neural Network (GNN) architectures for the task of fine-grained layout classification of text blocks from digital native documents. We introduce two graph construction structures: a k-closest-neighbor graph and a fully connected graph, and generate node features via pre-trained text and vision models, thus avoiding manual feature engineering. Three experimental frameworks are evaluated: single-modality (text or visual), concatenated multimodal, and dual-branch multimodal. We evaluated four foundational GNN models and compared them with the baseline. Our experiments are specifically conducted on a rich dataset of public affairs documents that includes more than 20 sources (e.g., regional and national-level official gazettes), 37K PDF documents, with 441K pages in total. Our results demonstrate that GraphSAGE operating on the k-closest-neighbor graph in a dual-branch configuration achieves the highest per-class and overall accuracy, outperforming the baseline in some sources. These findings confirm the importance of local layout relationships and multimodal fusion exploited through GNNs for the analysis of native digital document layouts.

Aquaculture plays a vital role in global food security and coastal economies by providing sustainable protein sources. As the industry expands to meet rising demand, it faces growing challenges such as disease outbreaks, inefficient feeding practices, rising labor costs, logistical inefficiencies, and critical hatchery issues, including high mortality rates and poor water quality control. Although artificial intelligence has made significant progress, existing machine learning methods fall short of addressing the domain-specific complexities of aquaculture. To bridge this gap, we introduce AQUA, the first large language model (LLM) tailored for aquaculture, designed to support farmers, researchers, and industry practitioners. Central to this effort is AQUADAPT (Data Acquisition, Processing and Tuning), an Agentic Framework for generating and refining high-quality synthetic data using a combination of expert knowledge, largescale language models, and automated evaluation techniques. Our work lays the foundation for LLM-driven innovations in aquaculture research, advisory systems, and decision-making tools.

A multi-modal guardrail must effectively filter image content based on user-defined policies, identifying material that may be hateful, reinforce harmful stereotypes, contain explicit material, or spread misinformation. Deploying such guardrails in real-world applications, however, poses significant challenges. Users often require varied and highly customizable policies and typically cannot provide abundant examples for each custom policy. Consequently, an ideal guardrail should be scalable to the multiple policies and adaptable to evolving user standards with minimal retraining. Existing fine-tuning methods typically condition predictions on pre-defined policies, restricting their generalizability to new policies or necessitating extensive retraining to adapt. Conversely, training-free methods struggle with limited context lengths, making it difficult to incorporate all the policies comprehensively. To overcome these limitations, we propose to condition model's judgment on "precedents", which are the reasoning processes of prior data points similar to the given input. By leveraging precedents instead of fixed policies, our approach greatly enhances the flexibility and adaptability of the guardrail. In this paper, we introduce a critique-revise mechanism for collecting high-quality precedents and two strategies that utilize precedents for robust prediction. Experimental results demonstrate that our approach outperforms previous methods across both few-shot and full-dataset scenarios and exhibits superior generalization to novel policies.

Incomplete satellite-based precipitation presents a significant challenge in global monitoring. For example, the Global Satellite Mapping of Precipitation (GSMaP) from JAXA suffers from substantial missing regions due to the orbital characteristics of satellites that have microwave sensors, and its current interpolation methods often result in spatial discontinuities. In this study, we formulate the completion of the precipitation map as a video inpainting task and propose a machine learning approach based on conditional diffusion models. Our method employs a 3D U-Net with a 3D condition encoder to reconstruct complete precipitation maps by leveraging spatio-temporal information from infrared images, latitude-longitude grids, and physical time inputs. Training was carried out on ERA5 hourly precipitation data from 2020 to 2023. We generated a pseudo-GSMaP dataset by randomly applying GSMaP masks to ERA maps. Performance was evaluated for the calendar year 2024, and our approach produces more spatio-temporally consistent inpainted precipitation maps compared to conventional methods. These results indicate the potential to improve global precipitation monitoring using the conditional diffusion models.

Learning reduced models from data in a nonintrusive fashion is an important problem in science and engineering [1, 2, 3]. A typical approach is to first learn an encoder-decoder pair, embed the training snapshot trajectories with the learned encoder, and then fit a reduced dynamical-system model to the embedded trajectories. However, the decomposition of the training process into first learning an encoder-decoder pair for the embedding and only sub-sequentially learning a model of the dynamics typically means that the encoder-decoder pair are trained with the objective of accurately approximating the training data, rather than taking the reduced-model prediction error into account. Thus, the encoder-decoder pair can overfit to achieving a low reconstruction error on the training data by learning embeddings of the snapshot trajectories that are non-smooth, which means that learning a reduced model can become challenging. Correspondingly, it has been observed that learning embeddings and models together can be beneficial; see, e.g., [4, 5, 6, 7]. In the context of intrusive model reduction with linear approximations, there is work that optimizes the reduced basis with respect to the model prediction error [8], quantities of interest [9], and to achieve stability [10]; however, we focus here on the setting of nonintrusive model reduction and nonlinear approximations.

Causal discovery from observational data is challenging, especially with large datasets and complex relationships. Traditional methods often struggle with scalability and capturing global structural information. To overcome these limitations, we introduce a novel graph neural network (GNN)-based probabilistic framework that learns a probability distribution over the entire space of causal graphs, unlike methods that output a single deterministic graph. Our framework leverages a GNN that encodes both node and edge attributes into a unified graph representation, enabling the model to learn complex causal structures directly from data. The GNN model is trained on a diverse set of synthetic datasets augmented with statistical and information-theoretic measures, such as mutual information and conditional entropy, capturing both local and global data properties. We frame causal discovery as a supervised learning problem, directly predicting the entire graph structure. Our approach demonstrates superior performance, outperforming both traditional and recent non-GNN-based methods, as well as a GNN-based approach, in terms of accuracy and scalability on synthetic and real-world datasets without further training. This probabilistic framework significantly improves causal structure learning, with broad implications for decision-making and scientific discovery across various fields.

Current evaluations of large language models (LLMs) rely on benchmark scores, but it is difficult to interpret what these individual scores reveal about a model's overall skills. Specifically, as a community we lack understanding of how tasks relate to one another, what they measure in common, how they differ, or which ones are redundant. As a result, models are often assessed via a single score averaged across benchmarks, an approach that fails to capture the models' wholistic strengths and limitations. Here, we propose a new evaluation paradigm that uses factor analysis to identify latent skills driving performance across benchmarks. We apply this method to a comprehensive new leaderboard showcasing the performance of 60 LLMs on 44 tasks, and identify a small set of latent skills that largely explain performance. Finally, we turn these insights into practical tools that identify redundant tasks, aid in model selection, and profile models along each latent skill.

Recent advances in generative models, particularly diffusion and auto-regressive models, have revolutionized fields like computer vision and natural language processing. However, their application to structure-based drug design (SBDD) remains limited due to critical data constraints. To address the limitation of training data for models targeting SBDD tasks, we propose an evolutionary framework named MEVO, which bridges the gap between billion-scale small molecule dataset and the scarce protein-ligand complex dataset, and effectively increase the abundance of training data for generative SBDD models. MEVO is composed of three key components: a high-fidelity VQ-VAE for molecule representation in latent space, a diffusion model for pharmacophore-guided molecule generation, and a pocket-aware evolutionary strategy for molecule optimization with physics-based scoring function. This framework efficiently generate high-affinity binders for various protein targets, validated with predicted binding affinities using free energy perturbation (FEP) methods. In addition, we showcase the capability of MEVO in designing potent inhibitors to KRAS$^{\textrm{G12D}}$, a challenging target in cancer therapeutics, with similar affinity to the known highly active inhibitor evaluated by FEP calculations. With high versatility and generalizability, MEVO offers an effective and data-efficient model for various tasks in structure-based ligand design.