Reduced-Order Modeling

We present in this paper a framework for the identification of control-affine reduced-order models (ROMs). The proposed method utilizes autoencoders (AEs) to transform the high-dimensional states, and potentially the high-dimensional inputs, into reduced latent ones suitable for control-affine state-space dynamics. This is achieved by simultaneous training of the AE and the state-space model. In addition, we extend the discrete ROM formulation to a sequence-based model, which processes state and input histories to improve prediction accuracy while preserving the control-affine structure. We motivate our framework by applying feedback linearization to the derived models, and we present guidelines for its efficient use. The proposed framework is assessed on two numerical examples and its performance is compared to a baseline model, where the AE identifies a latent space with linear state-space dynamics. The assessment involves evaluating the prediction accuracy of the ROM on test data and its effectiveness in controlling the system to a desired state or trajectory.

High-dimensional Hamiltonian systems play a central role in many scientific and engineering disciplines, with dynamics evolving on symplectic manifolds. Although deep learning provides powerful tools for constructing low-dimensional surrogates from data, the intrinsic symplectic structure is easily destroyed during model reduction. As a result, a standard autoencoder may produce latent coordinates that do not support a Hamiltonian flow, leading to unstable long-time prediction. In this paper, we first establish a universal approximation theorem for symplectic embeddings. Based on this theory, we propose symplecticity-preserving autoencoders (SpAE), in which the decoder is parameterized as a symplectic embedding and the encoder is constructed as the corresponding symplectic projection. This architecture is expressive enough to approximate nonlinear symplectic embeddings and the associated symplectic projections, preserves the symplectic structure exactly by construction, and can be trained by standard unconstrained optimization, thereby improving both reconstruction and prediction accuracy. Extensive experiments on high-dimensional lattice and particle systems demonstrate the effectiveness of the proposed method.

Data-driven reduced-order modeling is an essential component in the computer-aided design of control systems. In this work, we present a novel symmetric Hermite formulation of the quadrature-based balanced truncation algorithm that constructs linear reduced-order models from evaluations of the full-order system's transfer function and its derivative. Significantly, the Hermite formulation preserves desirable qualitative properties of the system used to generate the data, such as state-space Hermiticity and, consequently, asymptotic stability.

Real-time thermal-hydraulic simulation is essential for digital twin (DT) technology that supports the safe and efficient operation of small modular reactors (SMRs). Computational fluid dynamics (CFD) provides high-fidelity flow analysis, but its computational cost prevents direct use in DT applications. AI-based surrogate modeling has been actively investigated to address this limitation, yet neural operator--based surrogates for CFD-level transient analysis of SMR-specific geometries have not been reported. This study presents an integrated framework that combines a reduced-order model (ROM) with neural operators, applied to the helical coil steam generator (HCSG) of the System-integrated Modular Advanced Reactor (SMART). Two ROM strategies tailored to each CFD data type were compared, an MLP-based autoencoder (AE) for unstructured mesh data and a convolutional autoencoder (CAE) for structured mesh data, and each was coupled with the deep operator network (DeepONet) to construct the latent DeepONet (L-DeepONet). The Fourier neural operator (FNO) was additionally adopted for comparison. A multi-scale technique was incorporated into both frameworks to mitigate spectral bias and improve the prediction of Kármán vortex streets developing inside the HCSG. The multi-scale L-DeepONet captured the instantaneous periodic vortex dynamics in both velocity and pressure fields, while the FNO and its multi-scale variant predicted the time-averaged mean flow and provided reliable pressure drop estimates. These complementary characteristics provide a practical model-selection guideline that links each architecture to specific DT objectives based on CFD data type and the required level of flow resolution.

We present a novel formulation for mesh-free, reduced-order simulation of deformable hyperelastic objects. Existing work in reduced-order elastodynamic simulation represents the input geometry by either meshes, which can be difficult to obtain due to challenges in scanning and triangulating complex shapes, or by neural fields that require per-shape optimization. We propose to adopt a Reproducing Kernel Particle Method (RKPM) representation, which enables the construction of reduced-order skinning weights by solving a generalized eigensystem on the Hessian matrix of the elastic energy. We demonstrate that this formulation not only leads to a 40x training speedup compared with the per-shape optimization of neural fields, but also achieves lower simulation error when evaluated against the converged results of finite element method. We show our simulation results on a wide variety of objects in different representations including meshes and Gaussian splats, as well as the application of our method in the downstream task of robot simulation.

Reduced-order models (ROMs) provide an efficient surrogate for complex multiscale systems, but their predictive accuracy is often compromised by truncation errors and the inadequate representation of interactions between resolved and unresolved scales. The missing effect of truncated (unresolved) scales on ROM (resolved) scales is often denoted as the closure problem. In this work, we formulate ROM closure modeling as a multi-fidelity (MF) learning problem and propose an uncertainty-aware MF framework based on conditional normalizing flow to enhance ROM predictive accuracy. The proposed approach learns a probabilistic mapping from low-fidelity (LF) ROM coefficients to high-fidelity (HF) coefficients, thereby improving predictive fidelity while quantifying the uncertainty associated with the learned closure. Two correction strategies are investigated: direct learning, in which HF coefficients are predicted directly from LF inputs, and residual learning, which learns the discrepancy between LF and HF coefficients and uses it to recover the corrected HF solution. The framework is demonstrated on a vortex merging problem governed by the two-dimensional Navier Stokes equations. Results show that both correction strategies improve ROM accuracy over uncorrected ROM, with residual learning achieving consistently better performance than direct learning. Moreover, the two proposed deep generative model-based strategies provide uncertainty quantification for the corrected ROM coefficients, which is critical for assessing prediction confidence and supporting the reliable use of ROMs in practical applications.

Reduced-order models (ROMs) can accelerate high-dimensional dynamical simulations, but their accuracy often deteriorates when online dynamics leave the regime represented by offline training data. We develop a projection-based adaptive ROM framework based on incremental singular value decomposition (iSVD), in which occasional full-order operator evaluations provide correction snapshots for online basis updates. The intrusive ROMs considered here are fully parameterized by the basis, so each update naturally propagates to reduced operators and hyper-reduction machinery. Through its evolving singular structure, iSVD retains an encoded history of the observed dynamics and is history-aware in this sense. We study the method on three nonlinear problems of increasing complexity: the one-dimensional viscous Burgers equation, the Sod shock tube, and a stiff one-dimensional ten-species rotating detonation engine (RDE). The Burgers problem is used to analyze the method and compare iSVD with alternative basis adaptation rules, showing that history-aware updates outperform instantaneous updates and that iSVD gives the strongest overall performance. The Sod and RDE cases demonstrate that these advantages persist in more challenging compressible-flow settings. For the RDE problem, the iSVD adaptive ROM improves upon the current state-of-the-art Direct adaptive ROM baseline in both predictive accuracy and computational efficiency. A cost analysis shows that the dominant online cost comes from interacting with the full-order model to obtain correction snapshots, while the iSVD update itself is negligible. These results identify iSVD as an effective mechanism for online learning of reduced subspaces and suggest a path toward ROMs that remain predictive over horizons several orders of magnitude longer than their initial training window.

High-fidelity computational fluid dynamics (CFD) is widely used for thermal-fluid design, but repeated CFD solves remain expensive for design optimization, uncertainty analysis, and digital-twin workflows. Recently, our team has demonstrated that a proper orthogonal decomposition and neural-network (POD-NN) surrogate can predict two-dimensional thermal fields in an electronics-cooling cold plate with large inference speedups while preserving physically interpretable modal structure. Reproducing and extending such workflows, however, typically requires custom scripts for parameter sampling, Fluent automation, data extraction, reduced-order model construction, neural-network training, validation, and prediction. This paper introduces CFDTwin, an open-source Python package and optional desktop graphical user interface (GUI) that packages these steps into a reusable workflow for ANSYS Fluent simulations. CFDTwin allows users to define simulation inputs and output quantities, generate design-of-experiments samples, run and resume Fluent batch simulations, train POD-NN surrogate models for scalar, surface-field, and cell-zone outputs, inspect validation metrics, and evaluate trained models at new design points without re-running Fluent. The same workflow is exposed through a scriptable Python API and a GUI, supporting reproducible studies, user-facing model validation, and automated design exploration. CFDTwin extends the prior POD-NN modeling study from a case-specific research implementation to a reusable research-software platform for CFD surrogate modeling and digital-twin development.

Optimization problems constrained by high-dimensional, time-dependent partial differential equations require repeated forward and sensitivity solves, making high-fidelity optimization computationally prohibitive in many-query design and control settings. We present a weak-form latent-space reduced-order modeling framework for accelerating gradient-based PDE-constrained optimization. The proposed approach builds on Weak-form Latent Space Dynamics Identification (WLaSDI), which compresses high-dimensional solution trajectories into a low-dimensional latent representation and identifies parametric latent dynamics using weak-form system identification. By avoiding explicit numerical differentiation of training trajectories, the weak-form improves robustness to noisy data and yields more reliable surrogate dynamics for optimization. We formulate the resulting reduced PDE-constrained optimization problem and derive both direct-sensitivity and adjoint-based gradient expressions for the learned latent dynamics, enabling scalable gradient evaluation with respect to design parameters. The framework is demonstrated on three time-dependent benchmark problems: thermal radiative transfer for optimal hohlraum design, the two-stream instability Vlasov-Poisson system, and the inviscid Burgers equation. Across these examples, WLaSDI produces accurate optimal designs, remains robust under noisy training data, and delivers substantial computational savings, including speedups of up to five orders of magnitude relative to full-order optimization. These results demonstrate that weak-form latent dynamics provide an efficient and noise-robust surrogate foundation for gradient-based optimization of complex time-dependent PDE systems.

Inferring unknown initial states in shock-dominated compressible flows from sparse and noisy measurements is a challenging ill-posed inverse problem due to nonlinear wave interactions and limited sensing. In this work, we develop a non-intrusive reduced-order modeling framework for efficient Bayesian initial-state inversion with uncertainty quantification. The framework combines a convolutional autoencoder with a learned latent-space forward operator. The autoencoder compresses high-dimensional flow fields into a compact nonlinear latent representation, while the forward operator predicts final-time latent states from encoded initial conditions. This AE-ROM surrogate enables rapid forward evaluations and is embedded within a No-U-Turn Sampler (NUTS) for posterior exploration. The framework is demonstrated using 500 high-fidelity Sod shock tube simulations generated through Latin hypercube sampling and solved using a fifth-order WENO scheme. The inverse problem seeks to recover unknown left and right density and pressure states from sparse noisy observations of final-time density and pressure fields. Results show that the AE-ROM accurately reconstructs key shock-tube structures, including the rarefaction wave, contact discontinuity, and shock front. A latent dimension of 32 provides an effective balance between reconstruction accuracy and reduced-space compactness, while 250 training simulations are sufficient for accurate reconstruction. Increasing observation density significantly contracts posterior uncertainty, reducing the mean posterior standard deviation by approximately 78% for density and 76% for pressure. Overall, the proposed framework provides a computationally efficient and uncertainty-aware approach for inverse analysis of shock-dominated flows, with potential extensions to multidimensional compressible-flow and digital-twin applications.

Many dynamical systems can be described in terms of structured flows combining source/sink behavior, cyclic dynamics, and topology-constrained transport. These features arise across a wide range of physical, engineered, and data-driven systems. The objective of this work is to establish a unified perspective on such systems, to identify modeling approaches that balance expressivity, interpretability, computational complexity, and data requirements, and to investigate how highly expressive models can be used to uncover the dominant mechanisms underlying observed dynamics. Starting from the Helmholtz-Hodge decomposition of continuous vector fields, we review the recently proposed Graph Vector Field (GVF) framework and its discrete representation on simplicial complexes. We then introduce a hierarchy of alternative approaches, including parametric conditional models, linear graph dynamical systems, and reduced Hodge representations. Finally, we propose a verification and validation methodology based on benchmark datasets from well-understood physical systems and on systematic model-reduction and ablation studies. The resulting family of structured-flow models within a common framework, ranging from low-dimensional parametric representations to full GVF formulations, supports a diagnostic methodology in which gradient, curl, harmonic, and topological contributions are systematically assessed through ablation studies. This process enables the identification of dominant mechanisms underlying the observed dynamics and guides the construction of simplified models tailored to the available data and operational constraints. By separating structural verification, behavioral verification, and domain-specific validation, the proposed approach provides a foundation for scalable and interpretable analysis of complex dynamical systems across multiple application domains.

pyforce is a Python package implementing Data-Driven Reduced Order Modelling techniques for applications to multi-physics problems, mainly set in the Nuclear Engineering world. The package is part of the ROSE (Reduced Order modelling with data-driven techniques for multi-phySics problEms): mathematical algorithms aimed at reducing the complexity of multi-physics models (for nuclear reactors applications), at searching for optimal sensor positions and at integrating real measures to improve the knowledge on the physical systems. With respect to the previous original implementation based on dolfinx package (v0.6.0), version 1.0.0 of pyforce has been completely re-written using pyvista as backend for mesh importing, computing integrals, and visualisation of results; in addition, functions are stored as numpy arrays, improving the ease of use of the package. This choice allows to use pyforce with any software solver able to export results in VTK format.

Physics-informed operator learning is an attractive candidate for surrogate modeling of microstructures, especially in multiscale finite-element simulations. Its practical use, however, is often limited by the high cost of loss evaluation. We address this bottleneck by combining the Equilibrium Neural Operator (EquiNO) with the QR-based discrete empirical interpolation method (Q-DEIM). EquiNO learns only the modal coefficients of reduced displacement-fluctuation and first Piola-Kirchhoff stress representations built from periodic and divergence-free bases, thereby enforcing periodicity and mechanical equilibrium by construction. Q-DEIM then identifies a small set of spatial points through a column-pivoted QR factorization of the stress basis and restricts constitutive evaluations during training to these points alone. This makes full-batch second-order optimization practical for three-dimensional representative volume elements (RVEs). Homogenized first Piola-Kirchhoff stresses are recovered directly from the offline-averaged reduced stress modes, without the need to reconstruct the full stress field at inference time. We validate the framework on two three-dimensional finite-strain hyperelastic RVEs. Q-DEIM reduces the per-step training cost by roughly three orders of magnitude relative to full-field loss evaluation, while reduced homogenization achieves speed-up factors of order $10^3$ to $10^4$ over direct full-field computations. Despite relying on only a small number of offline snapshot loading paths for basis construction, the method accurately interpolates and extrapolates both microscopic stress fields and homogenized stresses, with prediction quality improving systematically as more snapshots are added.

Physics-based digital twins aim to predict the dynamics of real-world objects under interaction, enabling real-to-sim-to-real applications in robotics. Current approaches reconstruct such twins as explicit physical models (such as spring-mass systems) to predict the dynamics, but the resulting models often inherit the resolution of the visual reconstruction rather than being reduced to the physical complexity required to reproduce task-relevant dynamics. This mismatch introduces redundant topology, making repeated forward-dynamics rollouts unnecessarily expensive. To address this challenge, we present PhySPRING, an fully differentiable GNN-based method to reduce complexity in spring--mass digital twins. PhySPRING jointly learns a hierarchy of coarsened graph topologies and their mechanical parameters from observations. At each reduction level, PhySPRING merges nodes with similar learned dynamic responses to optimize the topology, while maintaining every reduced layer as an explicit spring--mass system. On the PhysTwin benchmark, PhySPRING improves dense reconstruction and prediction accuracy over PhysTwin, while reduced models retain stable physical and visual fidelity with up to a 2.30 times speed-up. We further demonstrate the effectiveness of PhySPRING in a Real2Sim robot policy-evaluation pipeline, where the reduced models are substituted zero-shot into ACT and $π_0$ evaluations, maintaining comparable manipulation success rates across downsampling levels while improving action-sampling effectiveness. Together, PhySPRING enables efficient and structure-preserving spring--mass reduction without sacrificing fidelity or robotic utility.

Elastic ribbons, slender structures whose length ($L$), width ($W$), and thickness ($b$) satisfy $L \gg W \gg b$, exhibit mechanical behaviors intermediate between one-dimensional rods ($L \gg W, b$) and two-dimensional plates ($L, W \gg b$). In quadratic Kirchhoff-type rod-based frameworks, such as Discrete Elastic Rods (DER), the governing equilibrium equations are independent of width, and therefore these models cannot capture width-dependent mechanical effects. Reduced centerline-based ribbon models attempt to capture width dependence via coupled bending-twisting energies. However, their relative accuracy remain unclear due to the absence of a unified simulation framework. In this work, we formulate a framework grounded in discrete differential geometry where the energy is expressed as functions of coupled bending-twisting strain measures along the centerline, rather than a linear sum of quadratic bending and twisting energies in DER. We derive analytical gradients and Hessians of the energy that enable implicit time integration. Within this unified setting, we compare five ribbon models: Kirchhoff, Sadowsky, Wunderlich, Sano, and Audoly. As a benchmark, a straight ribbon is longitudinally constrained into a pre-buckled arch and subjected to transverse displacement, inducing a supercritical pitchfork bifurcation. Predicted bifurcation thresholds are compared against shell-based finite element simulations, with the Sano model providing the closest agreement in capturing width-dependent shifts. Our high-performance JAX-based implementation achieves $\mathcal{O}(N)$ per-iteration cost and also confirms that Sano model introduces negligible per-iteration overhead relative to standard DER.

Tactile perception is key to dexterous manipulation, yet simulating high-resolution elastomer deformation remains computationally prohibitive. Finite element methods (FEM) deliver high fidelity but demand costly remeshing, while Material Point Methods (MPM) suffer from heavy particle-memory tradeoffs. We propose a {reduced-order neural simulation framework} that couples coarse-grained MPM dynamics with an implicit neural decoder to reconstruct sub-particle tactile details from compact latent states. The framework learns a continuous deformation manifold from paired high- and low-resolution simulations, enabling physically consistent, differentiable inference. Compared to the TacIPC, our method achieves over 65% faster simulation and {40% lower memory usage}, while maintaining better geometric fidelity. In tactile rendering and 3D surface reconstruction, our methods further improve accuracy by 25% and produce realistic depth images and surface mesh within a faster inference speed. These results demonstrate that the proposed reduced-order neural model enables high-detail, physically grounded tactile simulation with substantial efficiency gains for robotic interaction and optimization.

High-fidelity simulations, such as computational fluid dynamics and finite element analysis, are essential for modeling complex engineering systems but are often prohibitively expensive for tasks including parametric studies, optimization, and real-time control. Projection-based reduced-order models (ROMs) alleviate this cost by projecting the governing dynamics onto low-dimensional subspaces. However, their performance can deteriorate under parameter variation, motivating the need for adaptive basis construction. In this work, we propose a constrained ensemble learning framework, termed Constrained Extreme Gradient Boosting (cXGBoost), for predicting Proper Orthogonal Decomposition (POD) bases as functions of system parameters. The approach leverages a geometric representation of subspaces on the Grassmann manifold, which are mapped to a Euclidean space to enable efficient regression using gradient boosting trees. A norm constraint is imposed during training to ensure the validity of the inverse mapping and preserve the geometric structure of the predicted subspaces. The proposed method is evaluated on four numerical examples, including fluid dynamics and wave propagation problems, demonstrating its ability to accurately predict parameter-dependent bases while maintaining robustness across nonlinear regimes. These results highlight the potential of combining geometric learning with constrained ensemble methods for scalable and reliable reduced-order modeling of high-dimensional parametric systems.

Grid-based neural networks such as convolutional autoencoders are widely used in dimension reduction-based surrogate models for computational fluid dynamics. In recent years, the use of coordinate-based approaches like conditional neural fields has emerged. Their independence of the spatial discretization is a beneficial feature for various applications in computational fluid dynamics. This paper discusses the spatio-temporal prediction of aircraft ditching loads using a conditional neural field approach. The model is evaluated using two datasets for the dynamic loads of the fuselage of a DLR-D150 aircraft, one of which relates to a single fixed spatial discretization and the other that includes data from different discretizations. When paired with a long short-term memory (LSTM) network in the latent space, the neural field-based model achieves a spatio-temporal prediction accuracy for the first data set that is close to that of grid-dependent convolutional autoencoder-based models, and with significantly less parameters. Results for the second data set demonstrate the ability of the neural field-based approach to reconstruct ditching loads accurately for heterogeneous spatial discretizations. This allows for flexible use of training datasets generated for different geometries and/or discretizations, as well as the use of the surrogate model to predict loads for different configurations.

We introduce HAML (Hamiltonian Adaptation via Meta-Learning), a framework for fast online adaptation of effective Hamiltonian models of superconducting quantum processors. HAML proceeds in two phases. A supervised training phase uses an ensemble of simulated devices to learn an offline map from control inputs and device parameters to effective Hamiltonian coefficients. An online adaptation phase then uses a small number of hardware-accessible measurements to identify the unknown parameters of a new device. By training directly against effective two-qubit coefficients extracted from full multi-mode simulations, HAML implicitly learns the reduction from full multi-mode Hamiltonians to effective qubit descriptions without invoking perturbation theory. We further show that a variance-maximizing greedy selection of measurement configurations boosts online adaptation efficiency. We demonstrate HAML on a transmon-coupler-transmon system, recovering effective two-qubit coefficients across a wide range of operating regimes, including parameter regions where Schrieffer-Wolff perturbation theory (SWPT) breaks down. This establishes a scalable, sample-efficient approach to Hamiltonian reduction and characterization for near-term quantum processors, with direct implications for calibration, control, and error mitigation.

Stochastic reduced-order models are widely used to represent the effective dynamics of complex systems, but estimating their drift and diffusion coefficients from data remains challenging. Standard approaches often rely on short-time trajectory increments, state-space partitioning, or repeated simulation of candidate models, which become unreliable or computationally expensive for high-dimensional systems, coarse temporal sampling, or unevenly sampled data. We introduce a data-driven calibration method based on a novel relationship between the coefficients of a stochastic reduced model and the conditional score of the finite-time transition density, defined as the gradient of the logarithm of the transition density with respect to the initial state. The resulting identity expresses derivatives of lagged correlation functions as stationary expectations over observed lagged pairs involving this conditional score and the unknown model coefficients. This formulation allows the drift and diffusion structure to be constrained directly from finite-lag statistics, without differentiating trajectories, partitioning state space, or repeatedly integrating candidate reduced models during calibration, yielding a least-squares fitting problem over stationary lagged pairs. We validate the approach on three systems of increasing complexity: an analytically tractable Cox--Ingersoll--Ross diffusion, a two-dimensional nonequilibrium diffusion with affine multiplicative noise, and a periodic soft-spin stochastic Landau--Lifshitz chain. Across these tests, the inferred models preserve the invariant statistics while reproducing finite-lag dynamical correlations. The framework provides a scalable route for learning stochastic reduced-order models from data that reproduce prescribed statistical and dynamical properties.

This is our fourth work in the series on machine learning (ML) moment closure models for the radiative transfer equation (RTE). In the first three papers of this series, we considered the RTE in slab geometry in 1D1V (i.e. one dimension in physical space and one dimension in angular space), and introduced a gradient-based ML moment closure [1], then enforced the hyperbolicity through a symmetrizer [2], or together with physical characteristic speeds by learning the eigenvalues of the Jacobian matrix [3]. Here, we extend our framework to the RTE in 2D2V (i.e. two dimensions in physical space and two dimensions in angular space). The main idea is to preserve the leading part of the classical $P_N$ model and modify only the highest-order block row. By analyzing the structural properties of the $P_N$ model, we show that its coefficient matrices are symmetric and admit a block-tridiagonal structure. Then we use this property to introduce a block-diagonal symmetrizer for the ML moment model and derive explicit algebraic conditions on the closure blocks which guarantee the symmetrizable hyperbolicity of the resulting ML system. These conditions lead to a natural parametrization of the closure in terms of a symmetric positive definite matrix together with symmetric closure blocks, which can be learned from data while automatically enforcing symmetrizable hyperbolicity by construction. The numerical results show that the proposed framework improves upon the classical $P_N$ model while maintaining hyperbolicity.

Neural surrogates for stiff differential-algebraic equations (DAEs) face two barriers: soft-constraint methods leave algebraic residuals that stiffness amplifies into errors, and hard-constraint methods require trajectory data from stiff integrators. We introduce an extended Newton implicit layer that enforces algebraic constraints exactly and reduces fast dynamics to their quasi-steady-state values in a single differentiable solve. Embedded in a physics-informed DeepONet, the layer recovers all fast and algebraic states exactly from slow-state predictions, removes the per-window stiffness-amplification pathway, and yields a stiffness-scaled Implicit Function Theorem gradient absent from penalty methods. Cascaded implicit layers extend this to multi-component systems with provable convergence. On a grid-forming inverter (stiffness ratio of about 4712), extended Newton attains 1.42% error versus 39.3% (penalty) and 57.0% (standard Newton); augmented Lagrangian and feedback linearization diverged. Two independently trained models compose without retraining (0.72% to 1.16% error, exact constraint satisfaction). Cross-domain validation on the Robertson stiff DAE (stiffness ratio up to $10^5$) confirms generalization. Conformal prediction provides 90% coverage with automatic out-of-distribution detection.

Reduced-order models are powerful for analyzing and controlling high-dimensional dynamical systems. Yet constructing these models for complex hybrid systems such as legged robots remains challenging. Classical approaches rely on hand-designed template models (e.g., LIP, SLIP), which, though insightful, only approximate the underlying dynamics. In contrast, data-driven methods can extract more accurate low-dimensional representations, but it remains unclear when stability and safety properties observed in the latent space meaningfully transfer back to the full-order system. To bridge this gap, we introduce HALO (Hybrid Auto-encoded Locomotion), a framework for learning latent reduced-order models of periodic hybrid dynamics directly from trajectory data. HALO employs an autoencoder to identify a low-dimensional latent state together with a learned latent Poincaré map that captures step-to-step locomotion dynamics. This enables Lyapunov analysis and the construction of an associated region of attraction in the latent space, both of which can be lifted back to the full-order state space through the decoder. Experiments on a simulated hopping robot and full-body humanoid locomotion demonstrate that HALO yields low-dimensional models that retain meaningful stability structure and predict full-order region-of-attraction boundaries.

A novel convolutional autoencoder and neural ODE (CAE-NODE) framework is proposed for a reduced-order model (ROM) applied to transient 2D counterflow flames, as an extension of AE-NODE methods in homogeneous reactive systems to spatially resolved flows. The multidimensional thermochemical fields (256 x 256 grid, 21 variables) obtained from direct numerical simulations (DNS) are used in training the CAE, where convolutional layers learned the underlying spatial correlations, allowing the CAE to construct an unsupervised 3D latent manifold that is physically meaningful, smooth, and continuous in time. This results in a compression ratio of over 400,000 times. The NODE then subsequently learns the continuous-time dynamics on the latent manifold, enabling the prediction of the full temporal evolution of the flames by integrating forward in time from an initial condition. The results demonstrate that the CAE-NODE can accurately capture the entire transient process, including ignition, flame propagation, and the gradual transition to a non-premixed condition, with excellent agreement with the DNS, while adhering to conservation principles at virtually no computational cost compared to the reference DNS. Predictions remain accurate at strain rates outside the training range. Moreover, despite being unsupervised, the learned latent manifold is highly correlated with the flame-state descriptors such as the progress variable, mixture fraction, and the scalar dissipation rate. This study, for the first time, highlights the potential of CAE-NODE for surrogate modeling of unsteady dynamics of multi-dimensional reacting flows.

Constructing reduced-order models (ROMs) capable of efficiently predicting the evolution of parameter-dependent high-dimensional dynamical systems is crucial in many applications in engineering and applied sciences. A popular class of projection-based ROMs projects the high-dimensional full-order model (FOM) dynamics onto a low-dimensional manifold. These projection-based ROMs approaches often rely on classical model reduction techniques such as proper orthogonal decomposition (POD) or, more recently, on neural network architectures such as autoencoders (AEs). In the case that the ROM is constructed by the POD, one has approximation guaranteed based based on the singular values of the problem at hand. However, POD-based techniques can suffer from slow decay of the singular values in transport- and advection-dominated problems. In contrast to that, AEs allow for better reduction capabilities than the POD, often with the first few modes, but at the price of theoretical considerations. In addition, it is often observed, that AEs exhibits a plateau of the projection error with the increment of the dimension of the trial manifold. In this work, we propose an invertible AE architecture, named inv-AE, that computationally improves upon the stagnation of the reconstruction error typical of traditional AE architectures. Inv-AE is composed of several invertible neural network layers that allows for gradually recovering more information about the FOM solutions the more we increase the dimension of the reduced manifold. Through the application of inv-AE to a 1-dimensional Burgers' equation, a 2-dimensional fluid flow around an obstacle with variable geometry, and a 3-dimensional Korteweg-de Vries, we show that (i) inv-AE mitigates the issue of the characteristic plateau of AEs and (ii) inv-AE can be combined with popular autoencoder-based ROM approaches, e.g., DL-ROM, to improve their accuracy.

We propose an efficient retraining strategy for a parameterized Reduced Order Model (ROM) that attains accuracy comparable to full retraining while requiring only a fraction of the computational time and relying solely on sparse observations of the full system. The architecture employs an encode-process-decode structure: a Variational Autoencoder (VAE) to perform dimensionality reduction, and a transformer network to evolve the latent states and model the dynamics. The ROM is parameterized by an external control variable, the Reynolds number in the Navier-Stokes setting, with the transformer exploiting attention mechanisms to capture both temporal dependencies and parameter effects. The probabilistic VAE enables stochastic sampling of trajectory ensembles, providing predictive means and uncertainty quantification through the first two moments. After initial training on a limited set of dynamical regimes, the model is adapted to out-of-sample parameter regions using only sparse data. Its probabilistic formulation naturally supports ensemble generation, which we employ within an ensemble Kalman filtering framework to assimilate data and reconstruct full-state trajectories from minimal observations. We further show that, for the dynamical system considered, the dominant source of error in out-of-sample forecasts stems from distortions of the latent manifold rather than changes in the latent dynamics. Consequently, retraining can be limited to the autoencoder, allowing for a lightweight, computationally efficient adaptation procedure with very sparse fine-tuning data.

Modelling rock-fluid interaction requires solving a set of partial differential equations (PDEs) to predict the flow behaviour and the reactions of the fluid with the rock on the interfaces. Conventional high-fidelity numerical models require a high resolution to obtain reliable results, resulting in huge computational expense. This restricts the applicability of these models for multi-query problems, such as uncertainty quantification and optimisation, which require running numerous scenarios. As a cheaper alternative to high-fidelity models, this work develops eight surrogate models for predicting the fluid flow in porous media. Four of these are reduced-order models (ROM) based on one neural network for compression and another for prediction. The other four are single neural networks with the property of grid-size invariance; a term which we use to refer to image-to-image models that are capable of inferring on computational domains that are larger than those used during training. In addition to the novel grid-size-invariant framework for surrogate models, we compare the predictive performance of UNet and UNet++ architectures, and demonstrate that UNet++ outperforms UNet for surrogate models. Furthermore, we show that the grid-size-invariant approach is a reliable way to reduce memory consumption during training, resulting in good correlation between predicted and ground-truth values and outperforming the ROMs analysed. The application analysed is particularly challenging because fluid-induced rock dissolution results in a non-static solid field and, consequently, it cannot be used to help in adjustments of the future prediction.

This work develops an active learning framework to intelligently enrich data-driven reduced-order models (ROMs) of parametric dynamical systems, which can serve as the foundation of virtual assets in a digital twin. Data-driven ROMs are explainable, computationally efficient scientific machine learning models that aim to preserve the underlying physics of complex dynamical simulations. Since the quality of data-driven ROMs is sensitive to the quality of the limited training data, we seek to identify training parameters for which using the associated training data results in the best possible parametric ROM. Our approach uses the operator inference methodology, a regression-based strategy which can be tailored to particular parametric structure for a large class of problems. We establish a probabilistic version of parametric operator inference, casting the learning problem as a Bayesian linear regression. Prediction uncertainties stemming from the resulting probabilistic ROM solutions are used to design a sequential adaptive sampling scheme to select new training parameter vectors that promote ROM stability and accuracy globally in the parameter domain. We conduct numerical experiments for several nonlinear parametric systems of partial differential equations and compare the results to ROMs trained on random parameter samples. The results demonstrate that the proposed adaptive sampling strategy consistently yields more stable and accurate ROMs than random sampling does under the same computational budget.

This paper presents a novel hybrid approach for coupling subdomain-local non-intrusive Operator Inference (OpInf) reduced order models (ROMs) with each other and with subdomain-local high-fidelity full order models (FOMs) with using the overlapping Schwarz alternating method (O-SAM). The proposed methodology addresses significant challenges in multiscale modeling and simulation, particularly the long runtime and complex mesh generation requirements associated with traditional high-fidelity simulations. By leveraging the flexibility of O-SAM, we enable the seamless integration of disparate models, meshes, and time integration schemes, enhancing computational efficiency while maintaining high accuracy. Our approach is demonstrated through a series of numerical experiments on complex three-dimensional (3D) solid dynamics problems, showcasing speedups of up to 106x compared to conventional FOM-FOM couplings. This work paves the way for more efficient simulation workflows in engineering applications, with potential extensions to a wide range of partial differential equations.

Precision reducers couple contact geometry, bearing support, structural deformation, and loading history. This paper presents a dynamic toolkit connecting distributed local contacts to the complete mechanical reaction path. Work-conjugate maps transfer displacement, reaction, and tangent contributions between contacts and rigid or reduced coordinates, with explicit allocation of contact and body elasticity. An implicit generalized-alpha solution distinguishes trial evaluations from accepted history. Contact records then support performance protocols and configured geometric or constitutive feedback. The numerical studies focus on mechanical coupling and pressure recovery. An idealized annular housing retains physical interfaces while its structural coordinates are reduced. Two reductions with similar static errors have cross-port response errors of 24.975 and 0.312 percent over the same frequency band relative to a common parent model. In a shared-pin example, a 20 micrometer radial displacement of one wheel changes the load on a second, fixed wheel by approximately 75 N. Removing cross-station compliance removes this incremental transfer on the tested sleeve-seating branch. A double-wheel cycloidal assembly relates torsional branch response to aggregate contact-load variation and normalized pressure fields. The pressure maxima remain sensitive to resolution despite small discrete force residuals. Further formulations specify how motion and contact records support precision, vibration, heat, wear, and durability models with their required inputs. The framework separates model representation and numerical resolution while retaining common definitions of motion, force, and observation.