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Computer Science Computational Engineering

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Wednesday 19 August

Computational Engineering

Image Generation Techniques for Urban Planning

In the context of urban planning, architects are normally instructed with creating presentation images that visualize proposed buildings within their urban context. This work aims to develop a GenAI model for automatically generating architectural presentation images in urban scenes, with emphasis on model optimization. To achieve this, we developed Mask-based Weighted Conditional Flow Matching (MWCFM), which extends Flow Matching by introducing contextual masks for precise feature focusing. This enables targeted training on critical spatial elements relevant to urban planning. Our trained model learns from urban street-view data while adhering to specific style-guidelines, which are integrated into training through the loss function. Furthermore, the model's performance is evaluated using application related metrics, derived from presentation image style guidelines.
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All authors Katharina Roth, Eva Hagen, Alexander Bartscher, Inga Scheler, Nicolas R. Gauger

Computational Engineering

Component-wise hyperreduction for nonlinear solid mechanics problems

Hyperreduced nonlinear solid-mechanics components can be generated offline and reused as transferable building blocks across different assemblies, boundary conditions, meshes, material parameters, and constitutive models. We use proper orthogonal decomposition (POD) and energy conserving sampling and weighting (ECSW) on the component level and connect the substructures by mortar mesh tying. The POD modes and the ECSW weights and elements are computed offline from simulations of single components and the finite rigid body motions are treated by 12 additional rigid body modes per substructure. The numerical examples demonstrate errors below 1 % for large quasi-static assemblies while evaluating less than 10 % of the elements. The same component bases and ECSW elements are successfully reused for finite-strain viscoelastic dynamics, although they were trained only on elastic Neo-Hookean component simulations. These results indicate that component-wise hyperreduction can provide reusable reduced building blocks for modular nonlinear solid-mechanics simulations.
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All authors Stephan Ritzert, Jannick Kehls, Erik Faust, Hagen Holthusen, Stefanie Reese, Tim Brepols

Computational Engineering

Process Optimization Under Uncertainty for Improving the Bond Quality of Polymer Filaments in Fused Filament Fabrication

This paper develops a computational framework to optimize the process parameters such that the bond quality between extruded polymer filaments is maximized in fused filament fabrication (FFF). A transient heat transfer analysis providing an estimate of the temperature profile of the filaments is coupled with a sintering neck growth model to assess the bond quality that occurs at the interfaces between adjacent filaments. Predicting the variability in the FFF process is essential for achieving proactive quality control of the manufactured part; however, the models used to predict the variability are affected by assumptions and approximations. This paper systematically quantifies the uncertainty in the bond quality model prediction due to various sources of uncertainty, both aleatory and epistemic, and includes the uncertainty and the model discrepancy in the process parameter optimization. Variance-based sensitivity analysis based on Sobol indices is used to quantify the relative contributions of the different uncertainty sources to the uncertainty in the bond quality. A Gaussian process (GP) surrogate model is constructed to compute and include the model discrepancy within the optimization. Physical experiments are conducted for calibration and validation of the physics model and also for validation of the optimum solution. The results show that the proposed formulation for process parameter optimization under uncertainty results in high bond quality between adjoining filaments of the FFF product.
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All authors Berkcan Kapusuzoglu, Matthew Sato, Sankaran Mahadevan, Paul Witherell

Computational Engineering

Multi-Level Bayesian Calibration of a Multi-Component Dynamic System Model

This paper proposes a multi-level Bayesian calibration approach that fuses information from heterogeneous sources and accounts for uncertainties in modeling and measurements for time-dependent multi-component systems. The developed methodology has two elements: quantifying the uncertainty at component and system levels, by fusing all available information, and corrected model prediction. A multi-level Bayesian calibration approach is developed to estimate component-level and system-level parameters using measurement data that are obtained at different time instances for different system components. Such heterogeneous data are consumed in a sequential manner, and an iterative strategy is developed to calibrate the parameters at the two levels. This calibration strategy is implemented for two scenarios: offline and online. The offline calibration uses data that is collected over all the time-steps, whereas online calibration is performed in real-time as new measurements are obtained at each time-step. Analysis models and observation data for the thermo-mechanical behavior of gas turbine engine rotor blades are used to analyze the effectiveness of the proposed approach.
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All authors Berkcan Kapusuzoglu, Sankaran Mahadevan, Shunsaku Matsumoto, Yoshitomo Miyagi, Daigo Watanabe

Computational Engineering

Multi-Objective Optimization Under Uncertainty of Part Quality in Fused Filament Fabrication

This work presents a data-driven methodology for multi-objective optimization under uncertainty of process parameters in the fused filament fabrication (FFF) process. The proposed approach optimizes the process parameters with the objectives of minimizing the geometric inaccuracy and maximizing the filament bond quality of the manufactured part. First, experiments are conducted to collect data pertaining to the part quality. Then, Bayesian neural network (BNN) models are constructed to predict the geometric inaccuracy and bond quality as functions of the process parameters. The BNN model captures the model uncertainty caused by the lack of knowledge about model parameters (neuron weights) and the input variability due to the intrinsic randomness in the input parameters. Using the stochastic predictions from these models, different robustness-based design optimization formulations are investigated, wherein process parameters such as nozzle temperature, nozzle speed, and layer thickness are optimized under uncertainty for different multi-objective scenarios. Epistemic uncertainty in the prediction model and the aleatory uncertainty in the input is considered in the optimization. Finally, Pareto surfaces are constructed to estimate the tradeoffs between the objectives. Both the BNN models and the effectiveness of the proposed optimization methodology are validated using the actual manufacturing of the parts.
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All authors Berkcan Kapusuzoglu, Paromita Nath, Matthew Sato, Sankaran Mahadevan, Paul Witherell

Tuesday 18 August

Computational Engineering · Cross-listed from q-fin.TR

Feasible Multi-Asset Optimal Execution under Cash Constraints

Optimal execution (OE) in multi-asset settings involves complex interactions across assets, particularly through shared capital constraints during portfolio rebalancing. While existing models capture cross-impact and portfolio-level dynamics, they largely overlook the role of explicit cash constraints along the execution trajectory. As a result, the feasibility of execution strategies under limited capital remains poorly understood. In this paper, we extend the classical Almgren-Chriss framework to incorporate intertemporal constraints on expected cash consumption, requiring that the expected cumulative cash spent does not exceed a prescribed budget at every trading period. We show that the resulting multi-asset OE problem can be equivalently formulated as a quadratically constrained quadratic program (QCQP), and further establish that it admits a convex representation under mild conditions. This provides a tractable framework for analyzing execution strategies under dynamic capital constraints. Through controlled synthetic experiments, we show that the proposed cash constraints qualitatively alter OE schedules toward cash-feasible sell-first executions as the constraints become tighter. Furthermore, evaluations in an out-of-sample agent-based market simulator demonstrate that our method substantially reduces peak cash drawdown while maintaining implementation shortfall comparable to existing execution strategies. Our results highlight the importance of explicitly modeling financial feasibility in multi-asset execution and provide a foundation for bridging theoretical OE models with practical capital constraints.
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Computational Engineering

Hemispherical Ray-Casting Analysis for Milling Configuration Classification and Machinability Assessment

Early-stage manufacturability assessment reduces design iterations and costly downstream changes. This paper presents a GPU-accelerated geometric analysis method that evaluates CNC machinability and setup requirements directly from CAD files. A multi-stage pipeline uses hemispherical ray-casting to quantify surface accessibility, followed by directional variability analysis to extract dominant machining axes. Threshold-based classification determines 3-axis versus multi-axis machining. For 3-axis parts, orthogonal ray-casting and reachability optimization compute the minimum setup count and explicitly flag inaccessible surfaces. Validation cases show computation times sufficiently short to support interactive CAD workflows, enabling quantitative manufacturability feedback during the design stage without requiring manufacturing expertise.
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Computational Engineering

Distribution-Agnostic Isocontour Confidence Bounds for Robust Uncertainty Visualization of Scalar Field Data

Uncertainty visualization has been shown to be pivotal for conveying the reliability of features extracted from scalar fields. Features represented by individual isocontours and mean isocontours lack an indication of spatial uncertainty, whereas spaghetti isocontour plots can become cluttered and difficult to interpret. Existing methods relying on specific distribution assumptions, such as Gaussian and nonparametric bootstrap, provide compact, clutter-free spatial confidence bounds but may underestimate uncertainty for ensembles with a limited number of samples. We introduce a robust, distribution-agnostic Hoeffding confidence band as a novel complementary (and not competitive) technique to mitigate potentially misleading uncertainty bounds that may arise from distribution-based assumptions. The approach constructs vertex-wise confidence bounds using Hoeffding's inequality and propagates them to generate isocontour confidence bands. Results on synthetic and real ensemble datasets show that the Hoeffding confidence bands are loose but accurately capture underlying true values that may be missed by the Gaussian and bootstrap alternatives, while remaining computationally efficient.
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All authors Timbwaoga A. J. Ouermi, Nina M. Gottschling, Alex Gorczowski, Tushar M. Athawale

Computational Engineering · Cross-listed from cs.LG

TabNSM: Neural Sparse Mixer for Tabular Regression

Large-scale, high-dimensional tabular regression remains challenging: tree-based models are robust but lack end-to-end representation learning, while deep models enable flexible feature learning but often incur costly interaction modeling and sensitivity to noisy or redundant features. We propose TabNSM, a scalable regression framework that extends our earlier sparse-attention and mixer architectures. At its core, the Adaptive Sparse Interaction Module (ASIM) integrates foreground feature discovery, sparse local interaction encoding, and Feature-Token Mixing, providing near-linear complexity under fixed sparse configurations. For regression, TabNSM introduces three complementary components: a Multi-Stage Regression Head for progressive prediction refinement; GridLoss, an ordinal-aware soft-binning objective that incorporates target structure into representation learning; and RISE (Reweighted Instance Sampling by Error), a difficulty-aware sampling strategy based on loss-quantile bins. Across nine real-world regression benchmarks, TabNSM delivers strong predictive performance and practical scalability, with particularly consistent gains on high-dimensional and heterogeneous datasets. These results demonstrate that selective interaction modeling, structured regression supervision, and difficulty-aware sampling provide an effective and scalable approach to deep tabular regression.
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Computational Engineering

Overlap-free multi-material topology optimization for minimum compliance in two and three dimensions by level-set-based negative-mapping interpolation

Gray elements and material overlaps at the interfaces limit density-based multi-material topology optimization. This article extends the level set-based negative-mapping interpolation to the multi-material proportional topology optimization of macro-scale structures in two and three dimensions. An alternating active-phase algorithm decomposes M-phase problems into two-phase sub-problems described by level set functions; an evolutionary strategy removes the need for sentitivity analysis; and the negative-mapping interpolation eliminates the overlaps of the phases in the interface elements. Cantilever and half-MBB beams in two dimensions and a cantilever beam in three dimensions, with three and four material phases, give smooth boundaries, no gray elements and overlap-free designs. The compliance lies below the SIMP value in four of the eight two-dimensional cases and 0.3%, 0.4%, 4.8% and 12.7% above it in the other four. The influence of the material properties, of the interface treatment and of the algorithmic parameters is also examined.
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All authors Dong Wang, Qianglin Ran, Xuanliang Wang, Wei Xiang, Wenming Cheng, Run Du

Computational Engineering · Cross-listed from cs.AI

EvoTS-Agent: A Self-Evolving LLM Agent for Financial Time Series Change Point Detection

Financial time series exhibit non-stationary and heterogeneous statistical properties, making change-point detection challenging because no single unsupervised algorithm performs consistently across assets and market regimes. Conventional workflows consequently depend heavily on expert-driven model selection, feature design, and hyperparameter tuning, limiting their scalability and adaptability. We propose EvoTS-Agent, a validation-guided self-evolving LLM agent for autonomous financial time-series change-point detection. EvoTS-Agent first performs curated exploratory data analysis to characterize dataset properties and initialize candidate detection models. It then evolves executable experiment trajectories through three complementary operators: Revision exploits the current best solution, Alternative Strategy explores fundamentally different modeling directions when progress stagnates, and Recombination synthesizes complementary evidence from high-performing trajectories. Validation feedback guides trajectory evolution throughout the search, enabling the agent to adapt its detection pipeline to the statistical characteristics of each dataset while preserving reliable optimization. Experiments across four benchmark datasets demonstrate that EvoTS-Agent consistently outperforms existing LLM-based agents while maintaining a 100% execution success rate across all evaluated backbone LLMs.
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All authors Lei Jiang, Ye Wei, Xinyu Xi, Jordan Langham-Lopez, Yifan Bao, Raad Khraishi, Yihao Ang, Anthony K. H. Tung, Lukasz Szpruch, Hao Ni

Computational Engineering

A multi-level preprocessing and modelling framework for spectral imaging of microplastics

Spectral imaging provides chemically specific and spatially resolved analysis of microplastics, but its routine application is hindered by large data volumes, acquisition artefacts, spectral variability, and misidentification of polymers due to alike spectra. This study proposes a multi-level preprocessing and modelling framework for FT-IR spectral imaging of microplastics that integrates image-level, tile-level, and spectral-level corrections with scalable identification strategies. Image-level variation associated with changing acquisition conditions was done with latent variable selection, while a background-based tile correction reduced illumination-related artefacts. Spectral preprocessing combined baseline correction, smoothing, derivative calculation, normalization, and wavelength selection, and only particle spectra were retained for further analysis to improve computational efficiency. For scalable identification, clustering was applied to particle spectra and spectral library matching was performed on cluster centroids instead of individual pixels. Among twelve evaluated matching strategies, a sign-invariant derivative-based cosine similarity method achieved perfect classification accuracy for polystyrene (PS), polyethylene terephthalate (PET), polyethylene (PE), and polypropylene (PP). The clustering-based workflow also produced more spatially coherent particle maps than direct software-based matching while substantially reducing processing time. The framework was evaluated for supervised classification-based MP indentification. These results show that multi-level correction combined with cluster-centroid spectral matching improves the robustness, efficiency, and interpretability of spectral-imaging-based microplastic identification.
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All authors Zina-Sabrina Duma, Tenzin Tsering, Sara Heikkinen, Tuomo Soininen, Tuomas Sihvonen, Arto Koistinen, Satu-Pia Reinikainen

Computational Engineering · Cross-listed from cs.CR

FlowShield: cryptocurrency anti-money laundering with transaction semantics parsing and fund flow tracking

Cryptocurrency anti-money laundering (Crypto AML) is increasingly challenged by sophisticated laundering behaviors that rapidly fragment stolen assets through diverse semantics and across multiple blockchains. Existing Crypto AML methods often simplify transaction semantics, rely on topology-centric signals, or output isolated detection labels. In this paper, we present FlowShield, a Crypto AML framework for transaction-level laundering detection and investigator-facing report generation. FlowShield first recovers behavior-level semantics from observable relations, making laundering intents explicit. To trace value provenance and redistribution, FlowShield reconstructs fund-flow subgraphs from three complementary perspectives. It then employs a text–structure fusion mechanism, enabling the interplay between large language model (LLM)-encoded semantics and flow texts with graph convolutional network (GCN)-encoded structure. Beyond mere detection, FlowShield further generates readable suspicious activity reports (SARs), offering investigators concise summaries and explainable red flags. To address the data scarcity in multi-chain detection, we construct and open-source BybitML, the first public multi-chain laundering dataset. We evaluate FlowShield on BybitML and two public laundering datasets and experimental results demonstrate that FlowShield achieves the best overall performance, with an average F1 score of 98.0%. Further behavior and SAR analyses demonstrate that FlowShield can reveal diverse laundering strategies and produce readable reports for investigating complex multi-hop fund flows.
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All authors Qishuang Fu, Andreas Deppeler, Joseph K. Liu, Yixin Liu, Shirui Pan, Qin Wang, Weiqing Wang, Tsz Hon Yuen

Computational Engineering

Adaptive surrogate modeling for high-dimensional spatio-temporal output

This paper develops an adaptive surrogate modeling method for problems with very high-dimensional spatio-temporal outputs. The analysis of spatio-temporal multi-physics systems is computationally expensive and consists of a large number of inputs and outputs. Surrogate models are often constructed to replace the physics-based model to achieve computational efficiency in analyses such as uncertainty quantification and optimization that require many function calls. In order to address the challenge introduced by the high dimensionality of spatio-temporal output, a dimension reduction method is first employed to map the high-dimensional output to a low-dimensional latent space. This is followed by the construction of the surrogate model in the low-dimensional space. The prediction error in the original space, which includes both the reconstruction error and surrogate model error, is evaluated using different error metrics. Based on the prediction accuracy of the surrogate model, new training points are identified for adaptive improvement of the surrogate model. We present a novel adaptive sampling technique that combines exploration and exploitation to improve the surrogate model accuracy with the fewest possible runs of the expensive physics-based model. Thermo-mechanical analysis of a gas turbine engine blade is used to analyze the effectiveness of the proposed method.
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All authors Berkcan Kapusuzoglu, Shunsaku Matsumoto, Yoshitomo Miyagi, Daigo Watanabe, Sankaran Mahadevan

Computational Engineering

Information fusion and machine learning for sensitivity analysis using physics knowledge and experimental data

When computational models (either physics-based or data-driven) are used for the sensitivity analysis of engineering systems, the sensitivity estimate is affected by the accuracy and uncertainty of the model. This paper considers global sensitivity analysis (GSA) for situations where both a physics-based model and experimental observations are available, and investigates physics-informed machine learning strategies to effectively combine the two sources of information in order to maximize the accuracy of the sensitivity estimate. Two representative machine learning (ML) techniques are considered, namely, deep neural networks (DNN) and Gaussian process (GP) modeling, and two strategies for incorporating physics knowledge within these techniques are investigated, namely: (i) incorporating loss functions in the ML models to enforce physics constraints, and (ii) pre-training and updating the ML model using simulation and experimental data respectively. Four different models are built for each type (DNN and GP), and the uncertainties in these models are included in the Sobol indices computation. The DNN-based models, with many degrees of freedom in terms of model parameters and training options, are found to result in smaller bounds on the sensitivity estimates when compared to the GP-based models. The proposed methods are illustrated for additive manufacturing and lake temperature modeling examples.
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Computational Engineering · Cross-listed from cs.LG

Physics-Informed and Hybrid Machine Learning in Additive Manufacturing: Application to Fused Filament Fabrication

This article investigates several physics-informed and hybrid machine learning strategies that incorporate physics knowledge in experimental data-driven deep-learning models for predicting the bond quality and porosity of fused filament fabrication (FFF) parts. Three types of strategies are explored to incorporate physics constraints and multi-physics FFF simulation results into a deep neural network (DNN), thus ensuring consistency with physical laws: (1) incorporate physics constraints within the loss function of the DNN, (2) use physics model outputs as additional inputs to the DNN model, and (3) pre-train a DNN model with physics model input-output and then update it with experimental data. These strategies help to enforce a physically consistent relationship between bond quality and tensile strength, thus making porosity predictions physically meaningful. Eight different combinations of the above strategies are investigated. The results show how the combination of multiple strategies produces accurate machine learning models even with limited experimental data.
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Monday 17 August

Computational Engineering · Cross-listed from q-fin.RM

Financial Tail Risk Beyond Lipschitz Continuity via Semi-Discrete Optimal Transport

Financial returns are heavy-tailed, and accurate tail risk estimation is central to portfolio risk management. Modern neural generators sample by pushing a simple base distribution through a learned map, and for training stability that map is built from Lipschitz components. This is the binding constraint: a Lipschitz map of a Gaussian is sub-Gaussian, so heavier-tailed targets admit no exact match at any finite Lipschitz constant. The Monge–Ampère equation ties the Brenier map's local distortion to the density ratio $f/(g\circ T)$, so a deeper trough in the target density requires a higher-gain map and yields a higher-variance estimator. The argument needs only bounded distortion, so it covers normalizing flows, flow matching, GANs, and diffusion samplers alike. Semi-Discrete Optimal Transport (SDOT) relaxes the map's regularity rather than the source's tail class. Its power diagram gives every training observation a cell holding exactly $1/N$ of the source measure, and tail observations are reached by crossing a cell boundary rather than by stretching. Our primary experiment sweeps severity over a calibrated Merton jump-diffusion spanning kurtosis 94 to 1,679. SDOT holds tail ratios at $0.85$–$0.94$ with cross-seed standard deviations below $0.025$, while every learned generator either compresses the tails or inflates them with a variance that grows alongside. Further experiments carry the result to real S&P~500 returns and to a 21-year backtest, where SDOT gives the best risk-adjusted market-neutral strategy under CVaR optimization (Sharpe $0.70$, max drawdown $-2.60\%$, against $0.40$ for the next-best generator).
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Computational Engineering

Modeling the Hydrodynamics in the Oslofjord using an Advanced Circulation Model

This study introduces a new unstructured computational mesh for hydrodynamic simulations of the Oslofjord. The mesh was created with global bathymetry and shoreline data, using OceanMesh2D. It contains 70,410 nodes, with a resolution at the coastline of 50 meters. We use the new mesh to create an advanced circulation model of the fjord. The model is run for four time periods with different characteristics, and validated against the current state of the art and elevation gauges in the fjord. Initial analyses show that the model effectively propagates tides through the narrow channels of the fjord, while requiring minimal computation time. Three different combinations of tidal constituents are used to force the model, and we analyze the cost and benefits of using additional constituents. In order to assess the model in a realistic scenario, the water surface elevation output from a coarse global model is used to force the model an extreme weather event. The results demonstrate the mesh's ability to reproduce high-resolution total water levels in the fjord, with a maximum root mean square error of just over 10 centimeters.
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All authors Matthew Scarborough, Kai Håkon Christensen, Albert Cerrone, Nils Melsom Kristensen, Eirik Valseth

Computational Engineering

Reduced-Order Physics-Informed Neural Network with Adaptive Basis Refinement for Structural Identification

Physics-informed neural networks (PINNs) provide a flexible framework for solving forward and inverse problems. However, their direct application to structural dynamics remains limited by high system dimensionality and model-form errors arising from incomplete physics. Reduced-order models (ROMs) can alleviate the dimensionality bottleneck, yet existing PINN-ROM couplings typically rely on fixed reduced subspaces, target forward simulations, or assume complete physics, restricting their use for inverse identification under parametric variability or incomplete system knowledge. To address these limitations, this work proposes a Reduced-Order Physics-Informed Neural Network (RO-PINN) framework with adaptive basis refinement for structural identification under known and incomplete physics. Via projection, reduced governing equations are embedded directly into the PINN loss, facilitating learning in a low-dimensional latent space. An adaptive scheme updates the projection basis during training so that the latent space is progressively realigned with evolving structural parameters or learned residual restoring forces. This realignment reduces basis-mismatch errors and limits their influence on the inferred residual force. The method is validated on a four-story steel frame with nonlinear hysteretic braces under sparse and noisy measurements. Results show parameter identification comparable to or more accurate than Bayesian model updating with lower computational cost in the considered cases, recovery of unmodeled nonlinear restoring forces under incomplete physics, and joint identification of residual restoring forces and structural parameters within the same framework. Overall, RO-PINN provides a unified framework for structural identification by integrating reduced-order modeling, adaptive basis refinement, and physics-informed learning within a single formulation.
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Computational Engineering

Historical Backtesting for Scientific Question Discovery: A Protocol and Astronomy Pilot

Systems that generate scientific research questions are evaluated today by expert scores, LLM-as-judge ratings, or curated case studies – all subjective, none falsifiable. We formalize historical backtesting as an alternative: a system generates questions from a corpus frozen at a historical cutoff, the questions are frozen before any access to later literature, and a temporally isolated future corpus then determines whether each question was subsequently answered, partially addressed, independently posed, or ignored, and whether its underlying premise was supported or refuted. The protocol is model-agnostic: any system that emits frozen questions can be scored. We release reproducible astronomy instances with temporally isolated corpora, frozen questions, auditable labels, four reference baselines, and a submission interface. Two findings result. First, evidence-structure-first generation outperforms LLM-only prompting: across a generator decomposition crossed with a four-cutoff stress test (2010-2024, 798 judged questions) whose last window postdates model training, LLM-only generation shows memorized relevance without specific foresight, while a generator using no model weights at all finds questions whose premises the future refutes in every era. Second, a seven-rater agreement study (two blinded human annotators, five judge models, 90 items) indicts the outcome taxonomy rather than the judge: two careful humans agree at kappa = 0.17, every judge model agrees with the professional annotator as well or better (0.17-0.26), and frontier models agree with one another at 0.60 – certifying an LLM judge by model-model agreement would have overstated its reliability threefold. A prospective instance – 200 questions frozen 2026-08-17, scored 2027-2030 – is released so the central claims become contamination-free tests that time itself will grade.
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Computational Engineering

AccountAgent: AI Accounting Assistant System

The AI Accounting Assistant System is an innovative tool that improves the accuracy and efficiency of financial management and is becoming a core support for enterprise accounting. It relies on machine learning, natural language processing, and data visualization to automate the full accounting agent including bookkeeping, report generation, and data analysis, substantially reducing manual operations and minimizing human error. Designed to resolve the pain points of low efficiency, cumbersome workflows, and data lag in traditional accounting, the system shifts financial work from repetitive labor toward high-value decision support. It deeply mines historical financial data, precisely identifies operating trends, and provides real-time, targeted insight for strategic planning, risk prevention, and operating decisions. By reconstructing the accounting agent, the system realizes automated bookkeeping, intelligent analysis, and efficient compliance, driving the accounting profession from a bookkeeping orientation toward a management orientation. This document presents the architecture, methodology, key algorithms, and functional modules of the platform.
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All authors Yulu Huang, Niannian Yu, Yaxin Yang, Jinpeng Lv

Computational Engineering · Cross-listed from cs.CV

Supervising the Path to Fine Scales: GalerkinFlow for Scientific-Field and Image Super-Resolution

Most super-resolution models learn from paired data by supervising only the final high-resolution output. This provides little control over how the prediction should evolve between the downsampled observation and its fine target. We introduce GalerkinFlow, an equation-agnostic framework that turns each coarse–fine pair into supervision along an entire reconstruction path. At a random sample of intermediate states on the reconstruction path, the model predicts the coarse-to-fine residual velocity and uses coarse-anchor point to define a pseudo-endpoint. We show that the reconstruction loss of this pseudo-endpoint is exactly related to the intermediate velocity loss through a known time-dependent weight. Consequently, every intermediate state contributes supervision toward the same fine target, rather than serving only as an internal step toward an endpoint loss. Because intermediate states already reveal part of the missing fine-scale structure, we additionally supervise the coarse endpoint used during one-step inference. A finite-difference objective further constrains local spatial variation. GalerkinFlow combines convolutional features with scale-conditioned Galerkin operator mixing and requires no governing equation or physical metadata. It achieves the lowest raw-space errors among the evaluated equation-agnostic baselines on Navier–Stokes and Darcy Flow, while remaining competitive on DIV2K.
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Computational Engineering · Cross-listed from cs.LG

Graph Machine Learning: An Opportunity for Power Systems

Modern power systems face growing operational complexity driven by the integration of renewable energy sources, decentralization, and the need for real-time decision-making across a wide range of timescales. Addressing these challenges traditionally relies on model-based methods that, while accurate, can be too slow for operational demands. Machine learning (ML) has therefore emerged as a faster, data-driven alternative. As grid topology plays a central role in power system operation, graph machine learning (GML) methods offer a natural framework for incorporating topological dependencies as an inductive bias. We survey nearly 800 papers at the intersection of GML and power systems, covering forecasting, state estimation, optimization, control, fault diagnosis, and cybersecurity. Power systems constitute an unusually rich benchmark setting for GML, as they combine hard physical constraints, multi-scale dynamics, safety-critical requirements, and scarce labeled data within a single, well-defined domain. Conversely, power systems can benefit from utilizing GML to complement classical solvers, as GML provide scalable, topology-aware approximations with promising generalization and computational efficiency. We identify open challenges, including limited real-world deployment and the need for interpretable models in safety-critical settings. Despite the rapidly growing number of publications, standardized benchmarks and open datasets remain scarce, leaving many results difficult to reproduce and undermining the long-term scientific credibility of the field. We further derive a structured requirements catalog for ML-ready power grid benchmarks, intended to guide future dataset development and improve reproducibility across studies. We call on the community to prioritize dedicated benchmark studies and the release of open datasets and models.
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All authors Martin Sadric, Sebastian Pütz, Christian Nauck, Veit Hagenmeyer, Frank Hellmann, Dirk Witthaut, Benjamin Schäfer

Computational Engineering · Cross-listed from cs.ET

A Human-LLM Teaming Framework for Privacy Risk Analysis: An Illustration with CBDC-Based Welfare Schemes

Central Bank Digital Currency (CBDC)-based welfare schemes may be potentially privacy invasive as they process significant volumes of beneficiary personal data and lead to privacy harms such as surveillance, discrimination and stigmatization. Such welfare delivery schemes involve complex digital ecosystems and large number of stakeholders. Consequently, to examine their privacy risks, privacy risk assessments require extensive information gathering and synthesis, complex reasoning, scenario explorations, contextual evaluation and human judgement. Thus, they present ideal scenarios for human-LLM teaming, where effective integration of complementary human and LLM capabilities can yield an outcome far superior to either human-only or LLM-only assessments. In this paper, we propose a first human-LLM teaming framework for the systematic privacy risk analysis methodology called PRIAM. The framework specifies an iterative collaborative process in which the LLM processes large-scale documentary evidence to produce initial outputs, which are then interpreted and evaluated by human experts who direct their further refinement by the LLM and exercise their judgement to finalize the output. We illustrate the framework on the data characterization activity of PRIAM using a CBDC-based welfare scheme use case. The illustration demonstrates that while LLMs generate the initial data categories and assign initial values to data attributes, human experts evaluate and provide feedback to refine them, distinguishing documented evidence from inferences, identifying information gaps, and flagging unsupported or ambiguous outputs. This framework serves as a foundational contribution towards human-AI teaming for privacy risk assessments.
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Computational Engineering · Cross-listed from cs.LG

REFLEX: Reflexive Equilibrium Fixed-point Learning for Endogenous eXchanges

In over-the-counter corporate bond markets, dealers compete for client trades by quoting bid and ask prices. Tighter quotes attract more business, but also informed customers more likely to trade ahead of adverse price moves, leaving the dealer holding the risk. As dealers increasingly use machine learning to set quotes, they retrain these models on the trades their own quotes attract, creating a feedback loop in which each model reshapes the market that generates its next training data. The question is therefore not only whether a quoting model performs well, but whether the market it creates stays stable as the model learns from it. Existing performative prediction theory gives a sharp stability condition, yet expresses it through abstract properties of the learning objective a trading desk cannot measure before deployment. We introduce REFLEX, a framework that replaces those unobservable quantities with three measurable features of dealer behavior: how strongly trading volume responds to tighter quotes, how sharply the dealer's objective bends around its optimum, and how quickly informed flow increases as spreads narrow. REFLEX combines these into a single retraining modulus, a pre-deployment stability margin estimated from a desk's own quote and execution history that predicts whether repeated retraining will converge or amplify itself. In simulation, predicted and measured stability agree within 8%, and competing dealers increase instability by 1.74x with two and 3.16x with three, as predicted. Where ordinary retraining becomes unstable at modulus 1.21, a structurally anchored correction converges as blind retraining collapses. Calibrated over 36 years of public market data, stability headroom falls roughly 4.4x for investment grade and 4.3x for high yield from calm to crisis regimes. Ultimately, REFLEX turns an abstract convergence theorem into a market-level safety margin.
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Sunday 16 August

Computational Engineering

Robust topology optimization with non-Gaussian material fields using polygonal finite elements

We present a computational framework for robust topology optimization that integrates polygonal finite-element discretizations, spatially correlated non-Gaussian material modeling, and non-intrusive polynomial-chaos surrogates. Spatial uncertainty in Young's modulus is represented as a homogeneous non-Gaussian random field obtained via a memoryless transformation of a truncated Karhunen-Loève expansion, ensuring physical admissibility through positivity of stiffness while preserving the prescribed autocovariance. Polygonal finite elements provide a stable discretization for density-based optimization on unstructured meshes and mitigate checkerboard artefacts and mesh bias, while the sparse polynomial-chaos expansion enables efficient estimation of low-order statistical moments required by the robust objective at a fraction of the cost of intrusive or Monte Carlo approaches. Numerical studies on a cantilever and a curved beam show that introducing non-Gaussian material variability leads to systematic load-path redistribution and a reallocation of 6-12% of the structural volume, together with a reduction in compliance scatter. The non-intrusive surrogate reproduces intrusive reference results within 3% using an order of magnitude fewer full finite-element analyses. These results demonstrate that the proposed framework offers a physically consistent and computationally efficient route to topology-optimized designs that remain reliable under realistic material uncertainty.
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All authors Nilton Cuellar, Anderson Pereira, Ivan F. M. Menezes, Americo Cunha Jr

Computational Engineering

COOL: A Cooling-Aware Point Transformer Framework for Thermal Prediction in Advanced 3D/3.5D IC Packaging

Advanced 3D and 3.5D IC packaging significantly improves integration density but elevates thermal management challenges due to cross-layer heat coupling and complex cooling structures. Traditional solvers deliver high fidelity but are too slow for iterative design flows, while existing learning-based methods either fail to capture inter-die thermal coupling or treat cooling structures as static components, limiting their applicability in real packaging co-design scenarios. In this work, we introduce COOL, a cooling-aware point transformer framework that represents heterogeneous assemblies (dies, interposers, TIMs, heat spreaders) as annotated 3D point clouds embedding geometric, material and power attributes. COOL explicitly encodes geometric boundaries and cooling structures, and introduces a physics-informed boundary condition (PI-BC) loss to enforce thermal consistency at material interfaces and cooling boundaries. Extensive experiments demonstrate that COOL achieves a remarkable 2.4% NMAE on our constructed benchmark of multi-package thermal designs, substantially outperforming existing learning-based approaches while providing over 15.7x speedup compared to commercial FEM solvers.
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All authors Yao Lu, Zhicheng Guo, Qijun Zhang, Shang Liu, Wenji Fang, Wenkai Li, Zhiyao Xie

Computational Engineering · Cross-listed from cs.LG

Deploying Frontier Agentic Technology in MOOSEnger, a Multiphysics-Capable AI Assistant

The Multiphysics Object-Oriented Simulation Environment (MOOSE) is an open-source finite-element framework for building multiphysics simulation applications. Using a multiphysics environment effectively demands specialized expertise, creating a barrier for many domain scientists and engineers. MOOSEnger, developed at Idaho National Laboratory (INL), is a domain-specific, tool-enabled AI agent built for the MOOSE Framework. This work extends MOOSEnger with a harness focused on locally-hosted models. The harness gives the agent a full pipeline: it retrieves contextual knowledge from the MOOSE repository, validates and diagnoses the resulting input through interaction with the simulation executable environment, and extracts and stores lessons in a persistent memory. The resulting framework is demonstrated on an engineering problem from the National Reactor Innovation Center Virtual Test Bed (VTB), illustrating its potential to support realistic multiphysics simulation workflows. Additionally, the agent performance is evaluated on different categories including diffusion, Navier–Stokes, phase field, plasticity, porous media flow, solid mechanics, transient heat transfer, and reactor mesh generation. Each category consists of 25 prompts/cases. We compare MOOSEnger-Gemma4 against MOOSEnger-GPT-5.2, alongside baseline Gemma4 and GPT-5.2 without agentic capabilities. MOOSEnger-GPT-5.2 shows a slight edge, achieving a 90% success rate versus 76.5% for MOOSEnger-Gemma4. The baseline models perform far worse, at just 5% (GPT-5.2) and 0% (Gemma4), underscoring the impact of the agentic harness.
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All authors Zaid Abulawi, Mengnan Li, Guillaume Giudicelli, Yang Liu, Cody Permann

Computational Engineering

OmniRemesh: Adaptive and Quasi-differentiable Remeshing for Crystal Plasticity Simulation and Inverse Parameter Calibration under Large Deformation

Large-deformation crystal plasticity finite element method (CPFEM) simulations are often limited by accumulated mesh distortion, which degrades accuracy and numerical stability, while adaptive remeshing introduces discrete topology changes that impede gradient-based inverse analysis. We present OmniRemesh, a unified framework that addresses these forward and inverse challenges through two developments. First, a structure-driven remeshing method dynamically redistributes local mesh resolution according to both microstructural geometry and the evolving mechanical state. By refining grain boundaries and localized deformation regions while retaining a coarser mesh elsewhere, the method maintains mesh quality and physical consistency, improves the accuracy and robustness of large-deformation calculations, and resolves grain-scale heterogeneity without uniformly dense discretization. Second, a frozen-remeshing-branch strategy locally fixes the mesh sequence within a parameter trust region and periodically updates it as the parameters evolve. This treatment provides approximate automatic-differentiation sensitivities despite topology changes, enabling efficient inverse calibration of constitutive parameters against both macroscopic and local observables. Numerical examples demonstrate accurate and stable CPFEM simulations up to 80% tensile deformation. The inverse calibration successfully recovers both macroscopic and local responses. OmniRemesh thus provides a practical framework for large-deformation CPFEM and remeshing-aware constitutive calibration.
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Computational Engineering

Toward Decentralized Carbon Trading in Indonesia: A Public-Blockchain Architecture for Tokenized Real-World Assets

Indonesia has established a regulated carbon market supported by national registry infrastructure and the IDXCarbon exchange. Carbon units can be issued, recorded, traded, and retired within this framework. IDXCarbon currently uses a private blockchain for its trading infrastructure. This creates an opportunity to examine how Indonesian carbon credits could also be represented and traded through public blockchain infrastructure. This study proposes an architecture for tokenizing Indonesian carbon credits as real-world assets (RWAs), with particular focus on Sertifikat Pengurangan Emisi Gas Rumah Kaca (SPE-GRK). The proposed architecture retains the Sistem Registri Unit Karbon (SRUK) as the authoritative source of carbon-unit status. It introduces a public-blockchain layer for token representation and programmable transactions. The architecture is designed to support lifecycle management, token-based asset representation, public observability of token activity, interoperability, wallet-based transactions, and programmable settlement. The architecture consists of four layers: the authoritative carbon layer, the registry interoperability and tokenization layer, the public-blockchain RWA layer, and the market and application layer. Access to the tokenized carbon assets remains regulated. Token issuance and transfers are linked to participant eligibility and registry status. Retirement also remains dependent on the authoritative carbon registry. The proposed architecture provides a framework for introducing public-blockchain RWA infrastructure into Indonesia's existing carbon market while maintaining SRUK authority and existing market-integrity controls.
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