This study presents an integrated framework for processing, modelling, and generating statistically representative three-dimensional fiber microstructures from experimental X-ray-$μ$CT observations. First, an analytical slice-segment ellipse-intersection method is introduced to extract per-slice and per-fiber in-plane and out-of-plane misalignment profiles along the fiber depth. These descriptors are then used to construct a stochastic model that captures slice-wise misalignment distributions and their depth-wise evolution through, copula-based in-plane dependence, latent autoregressive continuity, and rare extreme-misalignment motifs. The model hyperparameters are calibrated using Bayesian optimization, achieving close agreement with the original statistical descriptors, with deviations generally below 10\%. The optimized statistical model is coupled with a physical generation strategy that begins with variable-radius fiber seeding layer and proceeds through an iterative slice-by-slice 3D growth scheme, where the statistical layer guides fiber evolution and Delaunay-based neighbourhood construction with ellipse-based contact resolution ensures non-overlapping, radius-augmented synthetic microstructures. The framework successfully generates about 2400 synthetic fibers while preserving strong statistical fidelity to the original X-ray-$μ$CT data. The proposed pipeline provides a promising and scalable route for generating statistically equivalent, geometrically admissible, and simulation-ready fiber composite microstructures for virtual testing and analysis.

Agentic systems have advanced quickly on digitally native tasks, yet they have barely touched the industries where coordinated automation could matter most: logistics, healthcare operations, construction, and the many sectors whose work is spread across incompatible tools and many hands. We argue that the reason is a missing abstraction. The value in these settings does not come from a single capable model invocation; it comes from \emph{orchestration}, the runtime that coordinates multi-step workflows, enforces hard domain constraints, manages human approval, and bridges legacy systems. We develop this idea into a usable conceptual frame. We give an operational test for which workflows are orchestration-bound, a decomposition that separates how tangled a workflow is from how much of its effort is coordination and what that coordination is worth, and a feature-level account of why today's multi-agent frameworks leave a specific gap. We then advance our central claim: the right automation path is staged, and which architectural guarantee carries the most weight depends on a sector's dominant source of friction. Constraint enforcement is load-bearing under regulatory friction; explainability is load-bearing under liability friction. We close with the research program this view implies.

Longitudinal ophthalmic imaging analysis is an essential step for prognosis prediction in ophthalmic diseases. However, AI-assisted prognosis models are challenged by follow-up sequences, which tend to be sparse, irregularly sampled, and incomplete. Although advanced prognosis modeling methods, especially for the methods based on neural controlled differential equations (NCDEs), provide a principled continuous-time framework for sparse and irregular longitudinal data. Unfortunately, two major concerns remain unsolved in clinical follow-up modeling. First, the smooth latent dynamics of standard NCDEs is poorly matched to abrupt pathological changes induced by therapeutic intervention, lesion recurrence, or long follow-up gaps. Second, numerical integration over long horizons can accumulate errors, which will produce unstable latent trajectories and weakened class discrimination. To address these challenges, we propose ImProNCDE, an impulse-corrected NCDE framework with prototype learning for longitudinal ophthalmic prognosis prediction. To capture abrupt pathological changes beyond smooth latent dynamics, ImProNCDE introduces Residual Impulse Calibration (RIC), which injects residual-based impulse corrections at visit times and then recalibrates the latent state when observations deviate from continuous predictions. To further mitigate error accumulation over long horizons, we introduce a Prototype-guided Trajectory Stabilizer (PTS), which aims to attract latent trajectories toward learnable prognosis prototypes to reduce class overlap and which ultimately improves long-horizon stability. Experiments on multiple private and public longitudinal ophthalmic datasets (totalling over 1206 samples) show that ImProNCDE outperforms existing SOTA methods focusing on sequence modeling.

Predictive simulation of melt pool dynamics in laser-based processing of metals, e.g., laser beam welding or laser powder bed fusion additive manufacturing, requires accurate resolution of thermo-hydrodynamic interactions at the melt-gas interface. Here, evaporation-induced recoil pressure and temperature-dependent surface tension govern the flow. Because these mechanisms depend sensitively, often exponentially, on the interface temperature, reliable predictions demand highly accurate heat transfer models. Popular diffuse-interface formulations smear the extreme thermal gradients as typical for laser-metal interactions, leading to interface temperature errors that critically degrade the accuracy of interface force predictions and melt pool dynamics. We present a hybrid sharp-diffuse interface approach for high-fidelity modelling of melt pool thermo-hydrodynamics with rapid evaporation. The heat transfer problem is represented using a sharp-interface unfitted finite element (CutFEM) formulation, enabling accurate prediction of the temperature field. The multi-phase flow problem, characterized by large density ratios and complex interface dynamics, is accurately captured using a robust level-set-based one-fluid diffuse-interface finite element formulation. Consistent coupling is achieved by extending the sharp-interface temperature into a narrow interface region to evaluate temperature-dependent interface forces within the diffuse-interface flow framework. In practically relevant benchmarks, the sharp-interface thermal model exhibits second-order spatial convergence, enabling finite element sizes two orders of magnitude larger than the diffuse-interface approach for 1 accuracy. In a novel coupled thermo-hydrodynamic benchmark representative of laser-metal interactions, the hybrid approach is one order of magnitude more accurate than a purely diffuse-interface model on the same mesh. Robu

Navigating the vast space of synthetically accessible molecules demands surrogate models that are interpretable and capable of handling multiple competing objectives at the same time. Deep learning approaches struggle to satisfy them under the computational constraints of quantum-level chemistry. Here, we introduce a modular pipeline that combines interpretable linear meta-learning models and adaptive-confidence uncertainty quantification into an Efficient Global Optimization (EGO) framework for multi-objective molecular discovery. For the first time, linear meta-learning is deployed in a multi-objective chemical search setting: by training across chemical objectives and cheap auxiliary properties, the meta-learned surrogates acquire transferable chemical knowledge that adapts rapidly to new objectives from limited data. Evaluated empirically on a real large scale search for spin-crossover metal-organic complexes, the baseline performs 78% worse in Pareto sense than the meta-learning alternative. We also address the calibration challenges inherent to active search. Since optimal candidates typically lie precisely in the distributional tails, standard uncertainty estimates fail. We introduce an adaptive confidence-tuning algorithm that dynamically recalibrates the exploration-exploitation trade-off as the molecular search evolves. Empirically, dynamic confidence tuning further dominates over 50% of the statically calibrated front.

In multiscale modeling of heterogeneous softening materials, boundary conditions (BC) in the fine-scale model strongly influence the strain localization pattern and the macroscopic response. For rectilinear models (e.g., squares or cubes), standard Periodic BCs produce artificially ductile behavior with excessive energy dissipation when the localization band inclination does not match the periodicity directions. Recently proposed Tessellation and Percolation-path-aligned BCs promise to address this by adapting the periodicity frame to align with the evolving localization bands. Alternatively, spherical/circular models provide an orientation independent response by design. Unfortunately, the standard Periodic BCs do not allow development of proper localization band crossing spherical model's boundaries. A recently proposed modification addresses this by adding a displacement jump to the spherical periodic BCs. This study evaluates the applicability of these novel BCs to a mesoscale discrete particle model of concrete. Two-dimensional square and circular models under uniaxial tension with different loading directions are analyzed, with the selected approaches extended to three-dimensional cube models. Results show that Percolation-path-aligned BCs exhibit major shortcomings: they can lead to multiple localization bands due to uneven straining of the two boundary sections and their weakly constrained section can be prone to spurious strain localization. In contrast, Tessellation BCs consistently yield a well-defined localization band, whose length is determined solely by the model geometry, making it straightforward to account for in post-processing. Periodic boundary conditions augmented with a displacement jump applied to a circular model sometimes incorrect produce crack patterns similar to those under the standard Periodic BCs.

Financial and tabular question answering requires more than fluent reasoning: answers must be grounded in the exact facts, formulas, units, signs, and scales that support them. A single misread cell or incorrect operation can silently produce a plausible but wrong result. We introduce \textsc{MOCA-Agent}, a market-of-claims code agent that replaces free-form multi-agent debate with claim-level verification. The system decomposes each question into typed atomic claims, asks specialist trader agents to buy or sell those claims, clears their orders into confidence-weighted accept/reject decisions, and synthesizes an executable Python program from market-supported evidence. A code-aware verifier then checks the program for execution, structural consistency, and common financial reasoning errors, with at most one market-aware repair round. Across ten public benchmarks spanning financial numerical reasoning, general tabular reasoning, ESG question answering, and multimodal chart reasoning, \textsc{MOCA-Agent} achieves strong performance using a fixed Qwen3.6-27B backbone, including $78.3\%$ on FinQA, $76.0\%$ on FinanceMath, $71.2\%$ on MultiHiertt, $86.9\%$ on ESGenius, and $85.6\%$ average on FinChart-Bench. These results show that aggregating evidence at the level of atomic claims, rather than whole answers, improves robustness in high-stakes numerical reasoning.\footnote{The code and data are available: https://github.com/UBC-NLP/MoCA-Agent.

While proper orthogonal decomposition (POD)-based surrogates are widely explored for hydrodynamic applications, the use of Koopman autoencoders for real-world coastal-ocean modelling remains relatively limited. This paper introduces a flexible Koopman autoencoder formulation that incorporates meteorological forcings and boundary conditions, and systematically compares its performance against POD-based surrogates. The Koopman autoencoder employs a learned linear temporal operator in latent space, enabling eigenvalue regularization to promote temporal stability. This strategy is evaluated alongside temporal unrolling techniques for achieving stable and accurate long-term predictions. The models are assessed on three test cases spanning distinct dynamical regimes, with prediction horizons up to one year at 30-minute temporal resolution. Across all cases, the reduced order surrogates with temporal unrolling achieve high accuracy with relative root-mean-squared-errors of 0.0068-0.14 and $R^2$-values of 0.61-0.995, where prediction errors are largest for current velocities, and smallest for water surface elevations. In two of the three cases, the Koopman Autoencoder have higher accuracy than the POD-based surrogates. Comparing to in-situ observations, the surrogate yields -0.64% to 12% increase in water surface elevation prediction error when compared to prediction errors of the physics-based model. These error levels, corresponding to a few centimeters, are acceptable for many practical applications, while inference speed-ups of 300-1400x enables workflows such as ensemble forecasting and long climate simulations for coastal-ocean modelling.

This paper presents Text2Structure3D, a graph-based Machine Learning (ML) model that generates equilibrium structures from natural language prompts. Text2Structure3D is designed to support new intuitive ways of design exploration and iteration in the conceptual structural design process. The approach combines latent diffusion with a Variational Graph Auto-Encoder (VGAE) and graph transformers to generate structural graphs that are close to an equilibrium state. Text2Structure3D integrates a residual force optimization post-processing step that ensures generated structures fully satisfy static equilibrium. The model was trained and validated using a cross-typological dataset of funicular form-found and statically determinate bridge structures, paired with text descriptions that capture the formal and structural features of each bridge. Results demonstrate that Text2Structure3D generates equilibrium structures with strong adherence to text-based specifications and greatly improves generalization capabilities compared to parametric model-based approaches. Text2Structure3D represents an early step toward a general-purpose foundation model for structural design, enabling the integration of generative AI into conceptual design workflows.

Recently, graphics processors (GPUs) have been increasingly leveraged in a variety of scientific computing applications. However, architectural differences between CPUs and GPUs necessitate the development of algorithms that take advantage of GPU hardware. As sparse matrix vector multiplication (SPMV) operations are commonly used in finite element analysis, a new SPMV algorithm and several variations are developed for unstructured finite element meshes on GPUs. The effective bandwidth of current GPU algorithms and the newly proposed algorithms are measured and analyzed for 15 sparse matrices of varying sizes and varying sparsity structures. The effects of optimization and differences between the new GPU algorithm and its variants are then subsequently studied. Lastly, both new and current SPMV GPU algorithms are utilized in the GPU CG Solver in GPU finite element simulations of the heart. These results are then compared against parallel PETSc finite element implementation results. The effective bandwidth tests indicate that the new algorithms compare very favorably with current algorithms for a wide variety of sparse matrices and can yield very notable benefits. GPU finite element simulation results demonstrate the benefit of using GPUs for finite element analysis, and also show that the proposed algorithms can yield speedup factors up to 12-fold for real finite element applications.