Parametric partial differential equations (PDEs) are fundamental mathematical tools for modeling complex physical systems, yet their numerical evaluation across parameter spaces remains computationally intensive when using conventional high-fidelity solvers. To address this challenge, we propose a novel physical law-corrected prior Gaussian process (LC-prior GP) surrogate modeling framework that effectively integrates data-driven learning with underlying physical constraints to flexibly handle multi-coupled variables defined on complex geometries. The proposed approach leverages proper orthogonal decomposition (POD) to parameterize high-dimensional PDE solutions via their dominant modes and associated coefficients, thereby enabling efficient Gaussian process (GP) surrogate modeling within a reduced-dimensional coefficient space. A key contribution lies in the incorporation of physical laws together with a limited number of parameter samples to correct the GP posterior mean, thus avoiding reliance on computationally expensive numerical solvers. Furthermore, interpolation functions are constructed to describe the mapping from the full parameter space to the physics-based correction term. This mapping is subsequently backpropagated to constrain the original GP surrogate, yielding a more physically consistent conditional prior. To handle irregular geometries, the radial basis function-finite difference (RBF-FD) method is incorporated during training set computation, with its inherent differentiation matrices providing both computational efficiency and numerical accuracy for physical constraint optimization. The effectiveness of the proposed method is demonstrated through numerical experiments involving a reaction-diffusion model, miscible flooding models, and Navier-Stokes equations with multi-physics coupling defined on irregular domains.

Ensemble forecasting systems have advanced meteorology by providing probabilistic estimates of future states, supporting applications from renewable energy production to transportation safety. Nonetheless, systematic biases often persist, making statistical post-processing essential. Traditional parametric post-processing techniques and machine learning-based methods can produce calibrated predictive distributions at specific locations and lead times, yet often struggle to capture dependencies across forecast dimensions. To address this, multivariate post-processing methods-such as ensemble copula coupling and the Schaake shuffle-are widely applied in a second step to restore realistic inter-variable or spatio-temporal dependencies. The aim of this study is the multivariate post-processing of ensemble forecasts using a graph neural network (dualGNN) trained with a composite loss function that combines the energy score (ES) and the variogram score (VS). The method is evaluated on two datasets: WRF-based solar irradiance forecasts over northern Chile and ECMWF visibility forecasts for Central Europe. The dualGNN consistently outperforms all empirical copula-based post-processed forecasts and shows significant improvements compared to graph neural networks trained solely on either the continuous ranked probability score (CRPS) or the ES, according to the evaluated multivariate verification metrics. Furthermore, for the WRF forecasts, the rank-order structure of the dualGNN forecasts captures valuable dependency information, enabling a more effective restoration of spatial relationships than either the raw numerical weather prediction ensemble or historical observational rank structures. By contrast, for the visibility forecasts, the GNNs trained on CRPS, ES, or the ES-VS combination outperform the calibrated reference.

Advancements in onboard computing mean remote sensing agents can employ state-of-the-art computer vision and machine learning at the edge. These capabilities can be leveraged to unlock new rare, transient, and pinpoint measurements of dynamic science phenomena. In this paper, we present an automated workflow that synthesizes the detection of these dynamic events in look-ahead satellite imagery with autonomous trajectory planning for a follow-up high-resolution sensor to obtain pinpoint measurements. We apply this workflow to the use case of observing volcanic plumes. We analyze classification approaches including traditional machine learning algorithms and convolutional neural networks. We present several trajectory planning algorithms that track the morphological features of a plume and integrate these algorithms with the classifiers. We show through simulation an order of magnitude increase in the utility return of the high-resolution instrument compared to baselines while maintaining efficient runtimes.

Real-world adoption of closed-loop insulin delivery systems (CLIDS) in type 1 diabetes remains low, driven not by technical failure, but by diverse behavioral, psychosocial, and social barriers. We introduce ChatCLIDS, the first benchmark to rigorously evaluate LLM-driven persuasive dialogue for health behavior change. Our framework features a library of expert-validated virtual patients, each with clinically grounded, heterogeneous profiles and realistic adoption barriers, and simulates multi-turn interactions with nurse agents equipped with a diverse set of evidence-based persuasive strategies. ChatCLIDS uniquely supports longitudinal counseling and adversarial social influence scenarios, enabling robust, multi-dimensional evaluation. Our findings reveal that while larger and more reflective LLMs adapt strategies over time, all models struggle to overcome resistance, especially under realistic social pressure. These results highlight critical limitations of current LLMs for behavior change, and offer a high-fidelity, scalable testbed for advancing trustworthy persuasive AI in healthcare and beyond.

Printed electronics offer a promising alternative for applications beyond silicon-based systems, requiring properties like flexibility, stretchability, conformality, and ultra-low fabrication costs. Despite the large feature sizes in printed electronics, printed neural networks have attracted attention for meeting target application requirements, though realizing complex circuits remains challenging. This work bridges the gap between classification accuracy and area efficiency in printed neural networks, covering the entire processing-near-sensor system design and co-optimization from the analog-to-digital interface-a major area and power bottleneck-to the digital classifier. We propose an automated framework for designing printed Ternary Neural Networks with arbitrary input precision, utilizing multi-objective optimization and holistic approximation. Our circuits outperform existing approximate printed neural networks by 17x in area and 59x in power on average, being the first to enable printed-battery-powered operation with under 5% accuracy loss while accounting for analog-to-digital interfacing costs.

Real-time monitoring of power consumption in cities and micro-grids through the Internet of Things (IoT) can help forecast future demand and optimize grid operations. But moving all consumer-level usage data to the cloud for predictions and analysis at fine time scales can expose activity patterns. Federated Learning~(FL) is a privacy-sensitive collaborative DNN training approach that retains data on edge devices, trains the models on private data locally, and aggregates the local models in the cloud. But key challenges exist: (i) clients can have non-independently identically distributed~(non-IID) data, and (ii) the learning should be computationally cheap while scaling to 1000s of (unseen) clients. In this paper, we develop and evaluate several optimizations to FL training across edge and cloud for time-series demand forecasting in micro-grids and city-scale utilities using DNNs to achieve a high prediction accuracy while minimizing the training cost. We showcase the benefit of using exponentially weighted loss while training and show that it further improves the prediction of the final model. Finally, we evaluate these strategies by validating over 1000s of clients for three states in the US from the OpenEIA corpus, and performing FL both in a pseudo-distributed setting and a Pi edge cluster. The results highlight the benefits of the proposed methods over baselines like ARIMA and DNNs trained for individual consumers, which are not scalable.

This work demonstrates a proof-of-principle for using uncertainty-aware architectures, in combination with active learning techniques and an in-the-loop physics simulation code as a data labeller, to construct efficient datasets for data-driven surrogate model generation. Building off of a previous proof-of-principle successfully demonstrating training set reduction on static pre-labelled datasets, using the ADEPT framework, this strategy was applied again to the plasma turbulent transport problem within tokamak fusion plasmas, specifically the QuaLiKiz quasilinear electrostatic gyrokinetic turbulent transport code. While QuaLiKiz provides relatively fast evaluations, this study specifically targeted small datasets to serve as a proxy for more expensive codes, such as CGYRO or GENE. The newly implemented algorithm uses the SNGP architecture for the classification component of the problem and the BNN-NCP architecture for the regression component, training models for all turbulent modes (ITG, TEM, ETG) and all transport fluxes ($Q_e$, $Q_i$, $Γ_e$, $Γ_i$, and $Π_i$) described by the general QuaLiKiz output. With 45 active learning iterations, moving from a small initial training set of $10^{2}$ to a final set of $10^{4}$, the resulting models reached a $F_1$ classification performance of ~0.8 and a $R^2$ regression performance of ~0.75 on an independent test set across all outputs. This extrapolates to reaching the same performance and efficiency as the previous ADEPT pipeline, although on a problem with 1 extra input dimension. While the improvement rate achieved in this implementation diminishes faster than expected, the overall technique is formulated with components that can be upgraded and generalized to many surrogate modeling applications beyond plasma turbulent transport predictions.

Machine learning (ML) enables the development of powerful methods for predicting thermophysical properties with unprecedented scope and accuracy. However, technical barriers like cumbersome implementation in established workflows hinder their application in practice. With MLPROP, we provide an interactive web interface for directly applying advanced ML methods to predict thermophysical properties without requiring ML expertise, thereby substantially increasing the accessibility of novel models. MLPROP currently includes models for predicting the vapor pressure of pure components (GRAPPA), activity coefficients and vapor-liquid equilibria in binary mixtures (UNIFAC 2.0, mod. UNIFAC 2.0, and HANNA), and a routine to fit NRTL parameters to the model predictions. MLPROP will be continuously updated and extended and is accessible free of charge via https://ml-prop.mv.rptu.de/. MLPROP removes the barrier to learning and experimenting with new ML-based methods for predicting thermophysical properties. The source code of all models is available as open source, which allows integration into existing workflows.

Liquid scintillation triple-to-doubly coincident ratio (TDCR) spectroscopy is widely adopted as a standard method for radionuclide quantification because of its inherent advantages such as high precision, self-calibrating capability, and independence from radioactive reference sources. However, multiradionuclide analysis via TDCR faces the challenges of limited automation and reliance on mixture-specific standards, which may not be easily available. Here, we present an Artificial Intelligence (AI) framework that combines numerical spectral simulation and deep learning for standard-free automated analysis. $β$ spectra for model training were generated using Geant4 simulations coupled with statistically modeled detector response sampling. A tailored neural network architecture, trained on this dataset covering various nuclei mix ratio and quenching scenarios, enables autonomous resolution of individual radionuclide activities and detecting efficiency through end-to-end learning paradigms. The model delivers consistent high accuracy across tasks: activity proportions (mean absolute error = 0.009), detection efficiencies (mean absolute error = 0.002), and spectral reconstruction (Structural Similarity Index = 0.9998), validating its physical plausibility for quenched $β$ spectroscopy. This AI-driven methodology exhibits significant potential for automated safety-compliant multiradionuclide analysis with robust generalization, real-time processing capabilities, and engineering feasibility, particularly in scenarios where reference materials are unavailable or rapid field analysis is required.

The necessary integration of renewable energy sources, combined with the expanding scale of power networks, presents significant challenges in controlling modern power grids. Traditional control systems, which are human and optimization-based, struggle to adapt and to scale in such an evolving context, motivating the exploration of more dynamic and distributed control strategies. This work advances a graph-based distributed reinforcement learning framework for real-time, scalable grid management. The proposed architecture consists of a network of distributed low-level agents acting on individual power lines and coordinated by a high-level manager agent. A Graph Neural Network (GNN) is employed to encode the network's topological information within the single low-level agent's observation. To accelerate convergence and enhance learning stability, the framework integrates imitation learning and potential-based reward shaping. In contrast to conventional decentralized approaches that decompose only the action space while relying on global observations, this method also decomposes the observation space. Each low-level agent acts based on a structured and informative local view of the environment constructed through the GNN. Experiments on the Grid2Op simulation environment show the effectiveness of the approach, which consistently outperforms the standard baseline commonly adopted in the field. Additionally, the proposed model proves to be much more computationally efficient than the simulation-based Expert method.