Quantitative Systems Pharmacology (QSP) modeling is essential for drug development but it requires significant time investment that limits the throughput of domain experts. We present \textbf{GRASP} -- a multi-agent, graph-reasoning framework with a human-in-the-loop conversational interface -- that encodes QSP models as typed biological knowledge graphs and compiles them to executable MATLAB/SimBiology code while preserving units, mass balance, and physiological constraints. A two-phase workflow -- \textsc{Understanding} (graph reconstruction of legacy code) and \textsc{Action} (constraint-checked, language-driven modification) -- is orchestrated by a state machine with iterative validation. GRASP performs breadth-first parameter-alignment around new entities to surface dependent quantities and propose biologically plausible defaults, and it runs automatic execution/diagnostics until convergence. In head-to-head evaluations using LLM-as-judge, GRASP outperforms SME-guided CoT and ToT baselines across biological plausibility, mathematical correctness, structural fidelity, and code quality (\(\approx\)9--10/10 vs.\ 5--7/10). BFS alignment achieves F1 = 0.95 for dependency discovery, units, and range. These results demonstrate that graph-structured, agentic workflows can make QSP model development both accessible and rigorous, enabling domain experts to specify mechanisms in natural language without sacrificing biomedical fidelity.

Safeguard models help large language models (LLMs) detect and block harmful content, but most evaluations remain English-centric and overlook linguistic and cultural diversity. Existing multilingual safety benchmarks often rely on machine-translated English data, which fails to capture nuances in low-resource languages. Southeast Asian (SEA) languages are underrepresented despite the region's linguistic diversity and unique safety concerns, from culturally sensitive political speech to region-specific misinformation. Addressing these gaps requires benchmarks that are natively authored to reflect local norms and harm scenarios. We introduce SEA-SafeguardBench, the first human-verified safety benchmark for SEA, covering eight languages, 21,640 samples, across three subsets: general, in-the-wild, and content generation. The experimental results from our benchmark demonstrate that even state-of-the-art LLMs and guardrails are challenged by SEA cultural and harm scenarios and underperform when compared to English texts.

This paper presents a Spatiotemporal Tube (STT)-based control framework for differential-drive mobile robots with dynamic uncertainties and external disturbances, guaranteeing the satisfaction of Temporal Reach-Avoid-Stay (T-RAS) specifications. The approach employs circular STT, characterized by smoothly time-varying center and radius, to define dynamic safe corridors that guide the robot from the start region to the goal while avoiding obstacles. In particular, we first develop a sampling-based synthesis algorithm to construct a feasible STT that satisfies the prescribed timing and safety constraints with formal guarantees. To ensure that the robot remains confined within this tube, we then design analytically a closed-form, approximation-free control law. The resulting controller is computationally efficient, robust to disturbances and {model uncertainties}, and requires no model approximations or online optimization. The proposed framework is validated through simulation studies on a differential-drive robot and benchmarked against state-of-the-art methods, demonstrating superior robustness, accuracy, and computational efficiency.

Air turbulence refers to the disordered and irregular motion state generated by drastic changes in velocity, pressure, or direction during airflow. Various complex factors lead to intricate low-altitude turbulence outcomes. Under current observational conditions, especially when using only wind profile radar data, traditional methods struggle to accurately predict turbulence states. Therefore, this paper introduces a NeuTucker decomposition model utilizing discretized data. Designed for continuous yet sparse three-dimensional wind field data, it constructs a low-rank Tucker decomposition model based on a Tucker neural network to capture the latent interactions within the three-dimensional wind field data. Therefore, two core ideas are proposed here: 1) Discretizing continuous input data to adapt to models like NeuTucF that require discrete data inputs. 2) Constructing a four-dimensional Tucker interaction tensor to represent all possible spatio-temporal interactions among different elevations and three-dimensional wind speeds. In estimating missing observations in real datasets, this discretized NeuTucF model demonstrates superior performance compared to various common regression models.

Recently, Multi-Contrast MR Reconstruction (MCMR) has emerged as a hot research topic that leverages high-quality auxiliary modalities to reconstruct undersampled target modalities of interest. However, existing methods often struggle to generalize across different k-space undersampling patterns, requiring the training of a separate model for each specific pattern, which limits their practical applicability. To address this challenge, we propose UniFS, a Unified Frequency-Spatial Fusion model designed to handle multiple k-space undersampling patterns for MCMR tasks without any need for retraining. UniFS integrates three key modules: a Cross-Modal Frequency Fusion module, an Adaptive Mask-Based Prompt Learning module, and a Dual-Branch Complementary Refinement module. These modules work together to extract domain-invariant features from diverse k-space undersampling patterns while dynamically adapt to their own variations. Another limitation of existing MCMR methods is their tendency to focus solely on spatial information while neglect frequency characteristics, or extract only shallow frequency features, thus failing to fully leverage complementary cross-modal frequency information. To relieve this issue, UniFS introduces an adaptive prompt-guided frequency fusion module for k-space learning, significantly enhancing the model's generalization performance. We evaluate our model on the BraTS and HCP datasets with various k-space undersampling patterns and acceleration factors, including previously unseen patterns, to comprehensively assess UniFS's generalizability. Experimental results across multiple scenarios demonstrate that UniFS achieves state-of-the-art performance. Our code is available at https://github.com/LIKP0/UniFS.

Abstract--Tree-based ensemble methods consistently outperform single models on tabular classification tasks, yet the conditions under which ensembles provide clear advantages--and prevent overfitting despite using high-variance base learners--are not always well understood by practitioners. We study four real-world classification problems (Breast Cancer diagnosis, Heart Disease prediction, Pima Indians Diabetes, and Credit Card Fraud detection) comparing classical single models against nine ensemble methods using five-seed repeated stratified cross-validation with statistical significance testing. Our results reveal three distinct regimes: (i) On nearly linearly separable data (Breast Cancer), well-regularized linear models achieve 97% accuracy with <2% generalization gaps; ensembles match but do not substantially exceed this performance. We systematically quantify dataset complexity through linearity scores, feature correlation, class separability, and noise estimates, explaining why different data regimes favor different model families. Cross-validated train/test accuracy and generalization-gap plots provide simple visual diagnostics for practitioners to assess when ensemble complexity is warranted. Statistical testing confirms that ensemble gains are significant on nonlinear tasks (p < 0.01) but not on near-linear data (p > 0.15). The study provides actionable guidelines for ensemble model selection in high-stakes tabular applications, with full code and reproducible experiments publicly available. A model that almost perfectly fits its training data can still fail badly on new cases. This gap between training performance and real-world behaviour is the essence of overfitting, and it is particularly problematic in domains such as medical diagnosis and financial fraud detection, where mistakes are costly: missed tumours delay treatment, and undetected fraud translates directly into monetary loss.

Many industrial sectors have been using of machine learning at inference mode on edge devices. Future directions show that training on edge devices is promising due to improvements in semiconductor performance. Wireless Ad Hoc Federated Learning (WAFL) has been proposed as a promising approach for collaborative learning with device-to-device communication among edges. In particular, WAFL with Vision Transformer (WAFL-ViT) has been tested on image recognition tasks with the UTokyo Building Recognition Dataset (UTBR). Since WAFL-ViT is a mission-oriented sensor system, it is essential to construct specific datasets by each mission. In our work, we have developed the Chulalongkorn University Building Recognition Dataset (CUBR), which is specialized for Chulalongkorn University as a case study in Thailand. Additionally, our results also demonstrate that training on WAFL scenarios achieves better accuracy than self-training scenarios. Dataset is available in https://github.com/jo2lxq/wafl/.

This paper presents the Model Gateway, a management platform for managing machine learning (ML) and scientific computational models in the drug discovery pipeline. The platform supports Large Language Model (LLM) Agents and Generative AI-based tools to perform ML model management tasks in our Machine Learning operations (MLOps) pipelines, such as the dynamic consensus model, a model that aggregates several scientific computational models, registration and management, retrieving model information, asynchronous submission/execution of models, and receiving results once the model complete executions. The platform includes a Model Owner Control Panel, Platform Admin Tools, and Model Gateway API service for interacting with the platform and tracking model execution. The platform achieves a 0% failure rate when testing scaling beyond 10k simultaneous application clients consume models. The Model Gateway is a fundamental part of our model-driven drug discovery pipeline. It has the potential to significantly accelerate the development of new drugs with the maturity of our MLOps infrastructure and the integration of LLM Agents and Generative AI tools.

We demonstrate the utility of this resource and accompanying metamodel through application to existing legal frameworks and industry standards, offering insights for comparative framework analysis. Applications include compliance policy enforcement, compliance monitoring, data discovery, and risk assessment.

Large language models display a peculiar form of inconsistency: they "know" the correct answer but fail to act on it. In human philosophy, this tension between global judgment and local impulse is called akrasia, or weakness of will. We propose akrasia as a foundational concept for analyzing inconsistency and goal drift in agentic AI systems. To operationalize it, we introduce a preliminary version of the Akrasia Benchmark, currently a structured set of prompting conditions (Baseline [B], Synonym [S], Temporal [T], and Temptation [X]) that measures when a model's local response contradicts its own prior commitments. The benchmark enables quantitative comparison of "self-control" across model families, decoding strategies, and temptation types. Beyond single-model evaluation, we outline how micro-level akrasia may compound into macro-level instability in multi-agent systems that may be interpreted as "scheming" or deliberate misalignment. By reframing inconsistency as weakness of will, this work connects agentic behavior to classical theories of agency and provides an empirical bridge between philosophy, psychology, and the emerging science of agentic AI.