We study a hybrid proposal--correction architecture for reduced-order PDE forecasting in which a pure-state quantum reservoir computer (QRC) predicts latent coefficient dynamics and a PINN-based physics-informed corrector (PIC) refines local rollout windows. The method is evaluated on Burgers and Kuramoto--Sivashinsky (KS), with KS as the primary chaotic benchmark. On KS, QRC+PIC consistently improves over QRC alone in RMSE, NRMSE, and PDE residual, while Burgers highlights a regime in which simple baselines remain strong. These results suggest that QRC proposals with local physics-informed correction are a viable benchmark-dependent reduced-order forecasting strategy.
This paper addresses the issue of self-intersecting trajectories (in phase space) in industrial reduced-order modeling and proposes the Latent-Augmented Neural Ordinary Differential Equations (LA-NODEs) framework. From the perspective of artificial intelligence, the proposed method augments conventional neural ordinary differential equations to enhance model expressiveness, enabling the representation of conflicting vector fields that may arise in reduced-order systems, thereby improving learning accuracy. Through theoretical analysis, the underlying mechanism of the framework is established, and a condition for determining the minimum required augmentation dimension is derived. From the perspective of engineering applications, the effectiveness of the proposed method is validated on the reduced-order system of two representative industrial models, namely an interior permanent magnet synchronous motor (IPMSM) drive and a distributed energy system (DES). Experimental results demonstrate that the proposed method can recover system features that are difficult to capture using conventional approaches and achieve superior performance in terms of prediction accuracy and modeling fidelity, thereby providing an effective approach for high-precision data-driven modeling of complex industrial systems.
Qiyao Zhou, Xujia Zhu, Pierre Joli +2cs.LG physics.comp-ph physics.data-an physics.flu-dyn
Forward and inverse modeling of parametric dynamical systems requires surrogate models that are not only accurate for state prediction, but also informative for parameter calibration. However, a systematic end-to-end differentiable formulation for coupling deep-learning-based reduced-order surrogates with variational parameter estimation remains underdeveloped. In this work, we introduce a physics-aware neural-network-based latent-space framework for reduced-order forward modeling and variational parameter estimation. The proposed autoencoder-based approach yields a differentiable surrogate that maps physical parameters to predicted flow fields through a latent representation. The observable supervision is used during offline training to encourage the latent variables to retain information correlated with system parameters, while the online inverse problem is solved in the parameter space through the surrogate-induced observation operator. The method is evaluated on two computational-fluid-dynamics benchmarks. The results show that reconstruction accuracy alone is insufficient for inverse modeling, owing to the lack of end-to-end differentiability or physics awareness for variational parameter calibration. Quantitative latent-space analysis further shows that observable supervision improves case-level separability and temporal organization of latent representations. Experiments with realistic measurement settings, including noisy, low-resolution, randomly masked, and block-wise partial observations, demonstrate the robustness of the proposed framework and show that it generally reduces calibration error and variability compared with the standard surrogate models.
Spectral submanifold (SSM) reduction has emerged as a mathematically principled route to reliable nonlinear reduced-order models, capturing dynamics beyond the reach of linear techniques such as Dynamic Mode Decomposition (DMD). The computation of SSMs, however, remains computationally expensive, particularly for high-dimensional systems. In this work, we introduce equivariant spectral submanifold (eSSM) reduction, a novel extension of the SSM framework that explicitly incorporates symmetries of the full-order model into the reduction process. We establish the mathematical foundations of this approach by showing that SSMs are naturally equivariant submanifolds and that the associated charts and reduced dynamics inherit the appropriate induced group actions. Building on this framework, we develop a novel equivariant SSM reduction algorithm that exploits these symmetries to achieve substantially faster computations while also improving model robustness. We demonstrate the advantages of this approach on several benchmark problems including a test from the Common Task Framework for Science.
Rémy Vallot, Florian de Vuyst, Thibault Dairay +1cs.LG math.AP math.NA
It is well known that Newton's method converges faster when the initial guess is closer to a root of a system of nonlinear equations. In this paper, a two-stage Newton initial guess strategy is proposed by learning features from a parameter-space sampling and a database of precomputed solutions. The method uses discrete Newton trajectories to construct two complementary reduced spaces: a solution feature space, built from converged states, and a corrective search direction feature space, built from intermediate Newton increments. For an unseen parameter, a regression model is used to predict a surrogate solution approximation. Then, in a second step, a residual-minimizing correction is computed using a dedicated GMRES-based approach. The resulting state is then used as an initial guess for the high-fidelity Newton method, which completes convergence. The corrective step is computationally inexpensive since it only requires residual evaluations and the solution of a small least-squares problem. The methodology is weakly intrusive once the high-fidelity residual fields and a script-based programming interface are available. This strategy reduces the number of Newton iterations and decreases the overall CPU time. Numerical experiments on representative PDE problems show quantifiable speedups compared with standalone surrogate initialization. Significant speedups are observed. This generic approach can be applied to a broad class of large-scale nonlinear problems.
Philip John, Eloghosa Ikponmwoba, Pinaki Pal +1cs.LG
This study introduces a reinforcement learning (RL) framework for generating optimal liquid-fueled reactors to improve lean blowout (LBO) predictions in gas turbine combustors. Existing approaches for determining cluster boundaries rely on manual heuristics or distance-based metrics in the input space. In contrast, the proposed method is goal-oriented, explicitly accounting for the target metric (e.g., LBO prediction accuracy) during cluster formation. The framework employs a multi-stage clustering--classification strategy: an initial clustering step (e.g., $k$-means clustering) generates a large set of homogeneous micro-clusters, followed by an actor-critic RL agent that merges them into optimal reactor zones. The validation study, performed using a Jet-A mechanism (119 species, 841 reactions), shows the RL framework offers improved predictive fidelity compared to $k$-means and captures the correct LBO trends, while achieving substantial speedups relative to the high-fidelity computational model. Overall, the RL-driven approach demonstrates strong potential as a computationally efficient reduced-order modeling technique that can complement high-fidelity simulations for rapid design-space exploration.
We present a machine learning approach for developing subgrid-scale (SGS) parametrizations in coarse simulations of partial differential equations. We utilize structure-preserving neural networks and entropy variables to learn subgrid fluxes in coarse simulations of the Burgers' equation. In particular, we employ a decoupled neural network architecture explicitly separating the subgrid corrections into two distinct components: a conservative Flux Potential network and an Eddy Viscosity network. We demonstrate that this reduced-order framework maintains high physical fidelity, accurately reproducing the energy spectrum, spatial and temporal correlation functions, and dynamical characteristics of the full-scale system. Furthermore, we show that our approach is robust and applicable to parameters outside the training regime.
Amirpasha Hedayat, Laura Balzano, Karthik Duraisamycs.LG cs.CE math.NA
Reduced-order models compress high-dimensional dynamics into low-dimensional representations that can be evaluated rapidly, but they lose accuracy when online dynamics drift beyond the training data. Adaptive methods address this by updating the subspace online with external, out-of-span information, such as full-order corrections or sensor snapshots. We discovered that a complementary and previously unexploited in-span adaptation channel exists within the current reduced subspace. By streaming the model's own predictions through an incremental singular-value decomposition with forgetting, we obtain a trajectory-informed spectral preconditioner, in which the subspace is unchanged but the basis is reweighted and realigned toward the modes visited by the dynamics. This enables the model to absorb future out-of-span corrections more effectively. We expose aspects of this mechanism on a three-dimensional spiral and confirm it on viscous Burgers and Fisher-KPP dynamics. We also discuss how in-span learning can be viewed as a dynamical-systems analogue of in-context learning. More broadly, in-span learning suggests a new principle for computational science, revealing that model-generated trajectories contain more usable information than previously recognized.
G. Li Causi, N. Tonicello, L. Magri +1math.NA stat.ML
Autoencoders (AEs) have emerged as powerful tools for non-linear dimensionality reduction, often surpassing traditional linear methods such as Proper Orthogonal Decomposition (POD) in scenarios characterized by slowly decaying Kolmogorov $n$-widths. In the realm of Reduced-Order Modelling (ROM), these models are increasingly utilized to learn low-dimensional representations of solution manifolds associated with parametric Partial Differential Equations (PDEs). However, the high expressivity of AEs presents a challenge: although trained networks typically minimize reconstruction error, they often struggle to capture the essential properties necessary for building accurate and robust ROMs. Recent works by arXiv:2307.15288v2 and arXiv:2506.11641v1 have tackled this challenge in fully connected AEs by proposing representation-consistent architectures, which preserve some of the properties belonging to POD. This study builds upon that concept by extending representation consistency for convolutional layers. We introduce a novel class of symmetric Convolutional AutoEncoders (CAEs) designed to embody the primary properties of manifold parametrization mappings. When integrated into a ROM framework, this architecture demonstrates significantly improved predictive capabilities. Specifically, we compared the performance of the ROMs based on classical and symmetric CAEs on three one dimensional academic test cases, namely the Linear Advection, the Viscous Burger and the Kuramoto Sivashinsky equation. Numerical results demonstrate that our proposed symmetric approach consistently yields more accurate latent trajectories, lower reconstruction errors, and enhanced model robustness.
Gabriel F. Barros, Rômulo M. Silva, Alvaro L. G. A. Coutinhocs.LG physics.flu-dyn
This chapter reviews recent advances in Scientific Machine Learning (SciML) for modeling coupled fluid flow and transport phenomena governed by the incompressible Navier-Stokes and scalar transport equations. Such systems, found in applications like turbidity currents and thermal convection, feature strong nonlinear coupling and multiscale behavior that make high-fidelity simulations computationally expensive. To address this, the chapter surveys state-of-the-art SciML methods for building efficient surrogate models, including linear reduced-order techniques based on Singular Value Decomposition (such as Dynamic Mode Decomposition) and nonlinear neural network approaches like Physics-Informed Neural Networks (PINNs) and $β$-Variational Autoencoders ($β$-VAEs). It first covers the authors' work combining these models with High Performance Computing strategies, including Adaptive Mesh Refinement/Coarsening (AMR/C) and scientific floating-point data compression. It then presents two new contributions: surrogate modeling of turbidity currents via PINNs, and the extraction of disentangled nonlinear modes from thermal flows using $β$-VAEs. Governing equations and representative benchmarks, including lock-exchange flows and Rayleigh-Bénard convection, illustrate these methodologies. The chapter is intentionally long, covering both the mathematical and physical foundations of coupled fluid flow and the computational aspects of state-of-the-art modeling. Overall, it demonstrates how SciML enables fast, accurate approximations of complex coupled systems within the specific data regimes and modeling assumptions considered, while substantially reducing computational cost relative to full-order simulations. Broader capabilities such as real-time prediction and uncertainty quantification remain active research directions whose feasibility depends strongly on the problem at hand.
Forecasting the evolution of complex dynamical systems remains a fundamentally challenging task, primarily due to pronounced nonlinear interactions, high-dimensional state spaces, and the concomitant requirement for rigorous and reliable uncertainty quantification. Contemporary reduced-order modelling (ROM) frameworks frequently exhibit inherent trade-offs among predictive accuracy, numerical stability, and interpretability, and thus often fail to achieve an optimal balance among these competing objectives. To address these limitations, we propose a framework for forecasting complex dynamical systems via a kernel autonomous ordinary differential equation approach based on Gaussian Processes and Quadratic Order Model Reduction. Our base method, the Gaussian Process Ordinary Differential Equations model, allows accurate short-term forecasting with uncertainty quantification, and it provably converges to the real autonomous equation in the smooth case. We integrate it with quadratic order reduced-order modelling and sphere projection for learning the latent dynamics efficiently while preserving stability. Numerical experiments demonstrate that our full model outperforms ROM forecasting methods such as Extended Dynamic Mode Decomposition, Bagging Optimised Dynamic Mode Decomposition and Linear and Nonlinear Disambiguation Optimisation in terms of accuracy or computational costs. These results demonstrate the potential of the framework as a robust and stable tool for forecasting complex dynamical systems with rigorous uncertainty quantification.
In science and engineering, Lagrangian simulation methods such as Smooth Particle Hydrodynamics (SPH) or Material Point Method (MPM) are often employed to study the behavior of dynamic systems. However, these methods can be prohibitively computationally expensive, particularly when simulating multi-scale spatial or temporal phenomena, e.g., void growth and coalescence within macro-scale geometries, structural failure of spacecraft components resulting from hypervelocity impact of space debris particles, etc. In contrast to graph-based methods, where the state of the system is understood as a discrete set of particles, we propose a learning framework for scalable representation and dynamics modeling of massive particle systems by treating the system state as a function and its evolution as a trajectory in Hilbert space. Rather than representing the state as a discrete set of particles or embedding it in a nonlinear latent manifold, we approximate the state space with a linear subspace spanned by learned neural basis functions. This parameterization enables direct projection to obtain latent coefficients and explicit access to the basis functions, avoiding optimization over a nonlinear latent space. The resulting representation admits a natural interpretation: latent variables correspond to coefficients in Hilbert space, and basis functions correspond to spatial modes, analogous to Proper Orthogonal Decomposition. The framework thus unifies classical projection-based reduced-order modeling with modern deep learning, while remaining invariant to the number of discretization points. Experiments on large-scale SPH simulations with over one million particles, including dynamic events with extreme deformation and fragmentation, demonstrate that the proposed method accurately reconstructs and predicts dynamics, achieving an R$^2$ score above $0.99$ with as few as $32$ basis functions.
Reduced-order modeling of high-dimensional dynamical systems is often hindered by closure effects arising from unresolved variables, which can introduce non-Markovian dependence into the resolved dynamics. Motivated by the history-dependent memory term arising in the Mori--Zwanzig formalism, we recast non-Markovian closure modeling as a sequence modeling problem and propose the Mamba-Assisted Closure (MAC) framework. MAC employs a Mamba-based sequence model to predict the closure from the resolved trajectory and couples the learned closure with the reduced-order governing equations through a numerical integrator to advance the resolved variables in time. During training, the selective scan mechanism in Mamba enables efficient parallel sequence processing with linear scaling in sequence length, while autoregressive inference proceeds through recurrent state updates at essentially constant per-step cost. We evaluate MAC on four benchmark systems with complementary characteristics: the viscous Burgers' equation, the chaotic two-scale Lorenz '96 system, the 3-bus DeMarco--Zheng power-grid system, and the dispersive Korteweg--de Vries equation. Across these benchmarks, MAC consistently improves predictive accuracy and long-time rollout stability relative to the comparison models, demonstrating an effective and computationally scalable approach to non-Markovian closure modeling.
April Tran, Terry Haut, David Bortz +1math.OC cs.LG math.DS
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.
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.