Nonlinear System Identification

Latest papers 107

May 22, 2026math.DS

Learning dynamical systems with biochemically informed neural ordinary differential equations

Ordinary differential equation models of biochemical reactions are often formulated as stoichiometric systems in which the dynamics arise from a collection of interacting processes. A central challenge is that the functional form of each process is rarely known a priori and may be difficult to infer from data. We propose biochemically informed neural ordinary differential equations (BINODEs), a neural-ODE framework that retains the stoichiometric structure of mechanistic models while representing individual processes by neural networks. In BINODEs, the outputs of neural network processes (NNPs) are mapped to state derivatives through a linear layer analogous to a stoichiometric matrix. This architecture allows biological side information, such as process-specific inputs, sign constraints, and monotonicity assumptions, to be built directly into the model. We characterize the approximation properties of NNPs for several standard biochemical rate laws and show that the proposed framework recovers both trajectories and process-level structure in Monod, Lotka--Volterra, pharmacokinetic, and ultradian endocrine models. These results suggest that BINODEs offer a useful compromise between mechanistic interpretability and data-driven flexibility for modeling partially known biochemical or biological dynamical systems.
May 22, 2026cs.LG

Learning partially observed systems with neural Hamiltonian ordinary differential equations

When learning dynamical systems from data, embedding physical structure can constrain the solution space and improve generalization, but many physics-informed models assume access to the full system state. This limits their use in partially observed settings, where some state variables are completely unobserved and must be inferred without direct supervision. Here, we present neural Hamiltonian ordinary differential equations (NHODE), a framework that combines Hamiltonian neural networks (HNNs) with neural ordinary differential equations (neural ODEs) to learn partially observed dynamical systems from data. The Hamiltonian structure enforces energy conservation by construction, while the neural ODE framework enables a flexible training procedure that allows the loss to be defined only on observed variables. We also incorporate additional physical constraints through symmetry-aware coordinate transformations and separable energy formulations. The framework is evaluated on systems of increasing complexity, from linear and nonlinear mass-spring systems to the chaotic three-body problem. Across all examples, increasing the amount of embedded physical structure improves the accuracy and long-horizon stability of the predictions. Even in the most challenging regimes, the NHODE framework captures both observed and latent dynamics, whereas purely data-driven baselines become unstable.
May 21, 2026cs.LG

Holomorphic Neural ODEs with Kolmogorov-Arnold Networks for Interpretable Discovery of Complex Dynamics

Complex dynamical systems governed by holomorphic maps such as z2+cz^2 + c exhibit fractal boundaries with extreme sensitivity to initial conditions. Accurately modelling these structures from data requires methods that respect the underlying complex-analytic geometry, yet Multi-Layer Perceptrons (MLPs) within Neural Ordinary Differential Equations (Neural ODEs) lack complex-analytic priors, violate the Cauchy--Riemann conditions, and function as opaque approximators incapable of yielding governing equations. We introduce Holomorphic KAN-ODE, a framework that replaces the MLP with a Kolmogorov-Arnold Network (KAN) whose learnable B-spline activations reside on network edges, and incorporates Cauchy--Riemann equations as a differentiable regularization to preserve holomorphic structure. We evaluate on six families of complex dynamical systems spanning polynomial and transcendental classes. With only 280 parameters (16×16\times fewer than the MLP baseline), the network achieves velocity-field R2>0.95R^2 > 0.95 on all six systems, correctly identifies all six governing symbolic families through automatic spline-to-formula fitting, and reconstructs Julia set fractal boundaries with up to 98.0% agreement. Crucially, the model exhibits only 4% MSE degradation under 10% observation noise versus 15.2×15.2\times for MLPs, and achieves 90.4% improvement in transfer learning from quadratic to cubic dynamics. While the MLP attains lower pointwise reconstruction error due to its larger capacity, the KAN uniquely provides interpretable symbolic equations, enforced holomorphic structure, and superior noise resilience, capabilities that are entirely absent in black-box architectures. These results establish KANs as a parameter-efficient, interpretable alternative to MLPs for physics-informed discovery of holomorphic dynamics.
May 18, 2026cs.RO

Data-Driven Dynamic Modeling of a Tendon-Actuated Continuum Robot

Developing dynamic models for tendon-driven continuum robots is challenging due to their nonlinear, high-dimensional, and friction-dominated dynamics. This paper presents a comparative study of data-driven system identification methods, including N4SID, ARX, and SINDYc, for modeling a tendon-actuated continuum robot with rolling joints developed at CERN. Despite the high number of joints of the robot, experimental analysis reveals that a two-degree-of-freedom dynamic model can accurately capture the system dynamics, owing to strong kinematic dependencies between the joints. The models are validated against experimental data, and used in the design of a model predictive controller, demonstrating their feasibility for real-time control.
May 18, 2026stat.ML

Geometric Dictionary Learning of Dynamical Systems with Optimal Transport

Learning dynamical systems through operator-theoretic representations provides a powerful framework for analyzing complex dynamics, as spectral quantities such as eigenvalues and invariant structures encode characteristic time scales and long-term behavior. However, dynamical operators are typically estimated independently for each system, preventing the discovery of shared structure across related dynamics. To address this limitation, we posit that related dynamical systems lie near a low-dimensional manifold in spectral operator space. Based on this hypothesis, we introduce DOODL (Dynamical OperatOr Dictionary Learning), a framework that learns a dictionary of characteristic spectral dynamics whose combinations approximate this manifold and yield compact, interpretable embeddings of individual systems. Beyond representation learning, DOODL enables fast and interpretable operator estimation from short and partially observed trajectories by constraining the estimation to the learned operator manifold. Experiments on metastable Langevin dynamics and turbulent plasma simulations demonstrate that DOODL scales to highly complex multiscale regimes while capturing characteristic spectral structure governing the dynamics rather than merely fitting trajectories, achieving errors one to two orders of magnitude lower than independent operator estimation methods in challenging low-data regimes.
May 15, 2026cs.LG

Hypothesis-driven construction of mesoscopic dynamics

Traditional scientific modeling typically begins with fixed, instance-wise effective equations and then carries out equation-specific analysis and computation, a procedure that becomes exceptionally challenging in complex applications such as multiscale systems. We propose an alternative paradigm by learning mesoscopic dynamics within a mathematically constrained hypothesis class. Building upon a generalized Onsager principle, we introduce a unified framework encompassing both dissipative and conservative mesoscopic dynamics. We establish uniform and a priori theoretical guarantees, including global well-posedness, asymptotic stability, unique factorization identifiability, and discrete energy dissipation, applicable to all spatio-temporal evolution equations within this hypothesis class prior to all learning stages. Data from each problem instance is then used to guide the identification of members within our hypothesis class, giving rise to accurate, robust and interpretable dynamical models. We empirically validate this framework on both data from continuum PDE models as a check, and on data arising from microscopic chain models for which exact meso-scale models are unknown. The proposed approach not only acts as an effective dynamics learner, but also offers vital interpretable diagnostics of the underlying physics.
May 15, 2026cs.RO

A Reproducible and Physically Feasible Dynamic Parameter Identification Framework for a Low-Cost Robot Arm

This paper presents a reproducible and physically feasible dynamic parameter identification framework for CRANE-X7, a low-cost robot arm driven by modular smart actuators. To improve practical identifiability, products of inertia are removed according to approximate link symmetry, reducing the rigid-body model from 65 to 39 base parameters. Identification motions are hand-designed from structured single-joint and adjacent-joint primitives under practical joint-range limits. The proposed pipeline combines preprocessing, inverse-dynamics-regressor-based ordinary least squares (OLS), conditional semidefinite-programming (SDP) projection for feasibility recovery, and closed-loop input error (CLIE) refinement. Candidate solutions from 40 structured trajectories are analyzed in a common principal component analysis (PCA) space to select a statistically central representative model. Because statistical centrality alone does not ensure physical acceptability, the selected model is finally screened by an all-pose positive-definiteness audit of the inertia matrix and, when necessary, corrected by a localized post-CLIE SDP rescue step. Experiments show that the parameter cloud becomes progressively more concentrated from OLS to SDP and CLIE, while the final accepted model preserves high predictive accuracy on held-out validation motions. These results demonstrate a practical route to statistically coherent and physically feasible dynamic models for low-cost robot platforms.
May 14, 2026cs.LG

Time-Varying Deep State Space Models for Sequences with Switching Dynamics

The identification and modeling of time-varying systems is a fundamental challenge in signal processing and system identification. To address this challenge, we propose a class of time-varying state-space model (SSM) based neural networks in which the neurons' states are governed by time-varying dynamics. The proposed model provides the learnable time-varying dynamics through a dictionary of basis functions, where each basis function evolves differently over time. We evaluate the proposed approach on both synthetic data from switching systems and a speech denoising task where real audio is corrupted with switching dynamics noise. The results show that the proposed time-varying model consistently outperforms its time-invariant counterparts while maintaining comparable computational complexity. Our investigations also reveal which aspects of the time-varying dynamics of the data most need to be captured by the proposed time-invariant models, how the additional freedom provided by time-varying basis functions should be allocated across model components, and to what extent larger models can compensate for time-invariant limitations.
May 14, 2026cs.LG

A Novel Schur-Decomposition-Based Weight Projection Method for Stable State-Space Neural-Network Architectures

Building black-box models for dynamical systems from data is a challenging problem in machine learning, especially when asymptotic stability guarantees are required. In this paper, we introduce a novel stability-ensuring and backpropagation-compatible projection scheme based on the Schur decomposition for the state matrix of linear discrete-time state-space layers, as well as an alternative pre-factorized formulation of the methodology. The proposed methods dynamically project the quasi-triangular factor of the state matrix's real Schur decomposition onto its nearest stable peer, ensuring stable dynamics with minimal overparameterization. Experiments on synthetic linear systems demonstrate that, despite a marginal increase in computational complexity, the method achieves accuracy and convergence rates comparable to those of state-of-the-art stable-system identification techniques. Furthermore, the lower weight count facilitates convergence during training without sacrificing accuracy in stacked neural-network architectures with static nonlinearities targeting real-world datasets. These results suggest that the Schur-based projection provides a numerically robust framework for identifying complex dynamics on par with the state of the art while satisfying strict asymptotic-stability requirements.
May 14, 2026cs.LG

Watch your neighbors: Training statistically accurate chaotic systems with local phase space information

Chaotic systems pose fundamental challenges for data-driven dynamics discovery, as small modeling errors lead to exponentially growing trajectory discrepancies. Since exact long-term prediction is unattainable, it is natural to ask what a good surrogate model for chaotic dynamics is. Prior work has largely focused either on reproducing the Jacobian of the underlying dynamics, which governs local expansion and contraction rates, or on training surrogate models that reproduce the ground-truth dynamics' long-term statistical behavior. In this work, we propose a new framework that aims to bridge these two paradigms by training surrogate dynamics models with accurate Jacobians and long-term statistical properties. Our method constructs a local covering of a chaotic attractor in phase space and analyzes the expansion and contraction of these coverings under the dynamics. The surrogate model is trained by minimizing the maximum mean discrepancy between the pushforward distributions of the coverings under the surrogate and ground-truth dynamics. Experiments show that our method significantly improves Jacobian accuracy while remaining competitive with state-of-the-art statistically accurate dynamics learning methods. Our code is fully available at https://anonymous.4open.science/r/neighborwatch.
May 12, 2026cs.LG

Identifying the nonlinear string dynamics with port-Hamiltonian neural networks

Hybrid machine learning combines physical knowledge with data-driven models to enhance interpretability and performance. In this context, Port-Hamiltonian Systems (PHS), which generalize Hamiltonian mechanics to describe open, non-autonomous dynamical systems, have been successfully integrated with neural networks under the name Port-Hamiltonian Neural Networks (PHNNs). While the ability of PHNNs to identify Hamiltonian ordinary differential equation (ODE) systems has already been demonstrated, their application to learning Hamiltonian partial differential equation (PDE) systems remains largely unexplored. This limitation restricts their use in musical acoustics, where instruments are typically modeled as distributed parameter systems governed by PDEs. In this work, we demonstrate how to learn the nonlinear string dynamics from data in a physically-consistent framework through a PHNN extension to PDEs. By constructing structured neural network architectures based on PHS, we can recover both the Hamiltonian governing the string and the dissipation affecting it. This approach outperforms baseline, non-physics-informed methods in terms of both accuracy and interpretability. Numerical experiments using synthetic data demonstrate the ability of the proposed PHNN model to identify and emulate the nonlinear dynamics of the system.
May 12, 2026cs.SC

FePySR: A Neural Feature Extraction Framework for Efficient and Scalable Symbolic Regression

A fundamental challenge in symbolic regression (SR) is efficiently recovering complex mathematical expressions from observational data. Although this problem is NP-hard, many expressions of practical interest decompose naturally into combinations of nonlinear feature modules, concentrating structural complexity into a small number of reusable components. Here, we introduce FePySR, a two-stage framework that reduces the SR search space by extracting valid features prior to equation search. FePySR first employs a heterogeneous neural network to constrain observational data to a set of candidate expressions, then performs structural optimization within this refined expression space using PySR. Across five standard benchmarks, FePySR outperforms state-of-the-art methods by achieving higher equation recovery rates. On a set of 75 highly complex synthesized equations, FePySR recovers 36 equations, while producing substantially smaller mean squared errors on the remaining unrecovered cases, with reduced computation time compared to PySR. FePySR's first stage also maintains consistent performance under varying numbers of selected top features and increasing levels of noise in the observational data. Applied to ordinary differential equations governing biological systems, FePySR successfully identifies governing equations in 24 out of 100 tests where PySR recovers none. Taken together, FePySR is a generalizable framework that can enhance the SR solvers, enabling the efficient and reliable recovery of symbolic expressions across scientific domains.
May 12, 2026cs.LG

Parallel-in-Time Training of Recurrent Neural Networks for Dynamical Systems Reconstruction

Reconstructing nonlinear dynamical systems (DS) from data (DSR) is a fundamental challenge in science and engineering, but it inherently relies on sequential models. Recent breakthroughs for sequential models have produced algorithms that parallelize computation along sequence length TT, achieving logarithmic time complexity, O(log⁡T)\mathcal{O}(\log T). Since sequence lengths have been practically limited due to the linear runtime complexity O(T)\mathcal{O}(T) of classical backpropagation through time, this opens new avenues for DSR. This paper studies two prominent classes of parallel-in-time algorithms for this task, both of which leverage parallel associative scans as their core computational primitive. The first class comprises models with linear yet non-autonomous dynamics and a nonlinear readout, such as modern State Space Models (SSMs), while the second consists of general nonlinear models which can be parallelized using the DEER framework. We find that the linear training-time recurrence of the first class of models imposes limitations that often hinder learning of accurate nonlinear dynamics. To address this, we augment DEER with Generalized Teacher Forcing (GTF), a novel variant within the more general nonlinear framework that ensures stable and effective learning of nonlinear dynamics across arbitrary sequence lengths. Using GTF-DEER, we investigate the benefits of training on extremely long sequences (T>104T>10^4) for DSR. Our results show that access to such long trajectories significantly improves DSR if the data features long time scales. This work establishes GTF-DEER as a robust tool for data-driven discovery and underscores the largely untapped potential of long-sequence learning in modeling complex DS.
May 12, 2026cs.LG

Beyond Prediction: Interval Neural Networks for Uncertainty-Aware System Identification

System identification (SysID) is critical for modeling dynamical systems from experimental data, yet traditional approaches often fail to capture nonlinear behaviors. While deep learning offers powerful tools for modeling such dynamics, incorporating uncertainty quantification is essential to ensure reliable predictions. This paper presents a systematic framework for constructing and training interval Neural Networks (INNs) for uncertainty-aware SysID. By extending crisp neural networks into interval counterparts, we develop Interval LSTM and NODE models that propagate uncertainty through interval arithmetic without probabilistic assumptions. This design allows them to represent uncertainty and produce prediction intervals. For training, we propose two strategies: Cascade INN (C-INN), a two-stage approach converting a trained crisp NN into an INN, and Joint INN (J-INN), a one-stage framework jointly optimizing prediction accuracy and interval precision. Both strategies employ uncertainty-aware loss functions and parameterization tricks to ensure reliable learning. Comprehensive experiments on multiple SysID datasets demonstrate the effectiveness of both approaches and benchmark their performance against well-established uncertainty-aware baselines: C-INN achieves superior point prediction accuracy, whereas J-INN yields more accurate and better-calibrated prediction intervals. Furthermore, to reveal how uncertainty is represented across model parameters, the concept of channel-wise elasticity is introduced, which is used to identify distinct patterns across the two training strategies. The results of this study demonstrate that the proposed framework effectively integrates deep learning with uncertainty-aware modeling.
May 11, 2026eess.SY

Multi-Agent System Identification with Nonlinear Sheaf Diffusion

Local interaction laws governing multi-agent systems can be difficult to recover from trajectory data, even when the dynamics are observed faithfully. In systems governed by a nonlinear sheaf Laplacian -- a generalization of the graph Laplacian accommodating heterogeneous state spaces and asymmetric communication channels -- the coordination law is encoded by edge potential functions whose gradients produce the inter-agent forces. Because trajectory observations record node-state evolution, they expose only the aggregate effect of the edge forces at each node: distinct interaction laws that agree at the node level are indistinguishable from trajectory data alone. We show that the fundamental obstruction to recovery is topological, measured by sheaf cohomology, and that unique recovery from an unconstrained function class is possible if and only if this cohomology vanishes. When the obstruction is nontrivial, we show that recovery within a finite-dimensional parameterized class is possible precisely when a data-dependent information matrix is positive definite. Experiments validate the theory and illustrate that accurate trajectory reproduction need not certify recovery of the underlying interaction law.
May 11, 2026cs.LG

The finite expression method for turbulent dynamics with high-order moment recovery

Turbulent dynamical systems are characterized by nonlinear interactions and stochastic effects that generate coupled statistical quantities, such as non-zero higher-order moments, which are difficult to capture from data with accuracy. We propose a two-stage data-driven modeling framework that combines symbolic regression with generative models to jointly identify the governing dynamics and predict their key statistical quantities. In Stage I of the framework, the Finite Expression Method (FEX) is adopted to discover closed-form expressions of the deterministic dynamics, recovering nonlinear interaction terms and external forcing without predefined libraries. In Stage II, generative models are introduced to learn the residual stochastic components as a refined correction to the model error from the Stage I approximation, enabling accurate characterization of higher-order statistics. Theoretical analysis establishes the consistency of the symbolic estimator and quantifies the estimation error in terms of data size and numerical discretization. The model performance is verified through detailed numerical experiments on the stochastic triad models across multiple regimes, demonstrating that the framework successfully recovers interaction terms and forcing expressions, and accurately predicts statistical moments up to order five. These results highlight the potential of integrating interpretable symbolic discovery with data-driven stochastic modeling for complex turbulent systems.
May 10, 2026cs.LG

Discovery of Nonlinear Dynamics with Automated Basis Function Generation

Discovering governing equations from observational data remains a fundamental challenge in scientific modeling, particularly when the underlying mathematical structure is unknown. Traditional sparse identification methods like SINDy excel at discovering parsimonious models but require researchers to specify candidate basis functions a priori, a limitation that often leads to model failure when critical terms are omitted or when systems exhibit unconventional dynamics. Purely symbolic regression approaches offer unlimited flexibility but struggle with noise sensitivity and frequently produce overly complex, unstable equations. We present AutoSINDy, a hybrid Discovery-then-Solve framework that combines the exploratory power of symbolic regression with the robust sparsity-promoting capabilities of SINDy. Our method operates in three stages: (1) PySR-based symbolic regression discovers candidate functional forms from bootstrapped data chunks; (2) a curation pipeline decomposes, expands, and filters these expressions using collinearity analysis to construct a minimal yet comprehensive library; and (3) SINDy identifies sparse governing equations from this custom-tailored library. Extensive experiments across canonical nonlinear systems demonstrate that AutoSINDy consistently recovers ground-truth equations even under high observational noise, achieving a ground-truth recovery rate of 92.8% across all trials. Compared with standard SINDy using enriched libraries and standalone symbolic regression, AutoSINDy achieves higher predictive accuracy, superior generalization to unseen trajectories, and substantially lower symbolic complexity.
May 9, 2026physics.comp-ph

Nonlinear GENERIC Informed Neural Networks (N-GINNs): learning GENERIC dynamics with non-quadratic dissipation potentials

We introduce Nonlinear GENERIC Informed Neural Networks (N-GINNs), a deep learning framework for discovering evolution equations of systems governed by the nonlinear GENERIC formalism (General Equation for Non-Equilibrium Reversible-Irreversible Coupling). Such systems exhibit coupled conservative and dissipative dynamics, and can be described via the superposition of a Hamiltonian flow and a generalized gradient flow. In contrast to existing approaches, our formulation incorporates generalized gradient flows via convex dissipation potentials, enabling the identification of a broader class of thermodynamically consistent dynamics, including systems with non-quadratic dissipation potentials. Thermodynamic structure is strongly enforced by construction through suitable reparameterizations of both the bivector operator and the dissipation potential, ensuring exact compliance with the first and second laws of thermodynamics. We validate the proposed approach on three representative examples: a harmonic oscillator coupled to a heat bath, an idealized chemical motor, and a one-dimensional viscoplastic model of Perzyna type. These results demonstrate the method's ability to accurately infer thermodynamically consistent models from data for systems incorporating both conservative and nonlinear dissipative dynamics.
May 8, 2026eess.SY

A Behavioral Framework for Data-Driven Modeling of Nonlinear Systems in Vector-Valued Reproducing Kernel Hilbert Spaces

We generalize Jan Willems' behavioral approach to a class of discrete-time nonlinear systems in a vector-valued reproducing kernel Hilbert space (RKHS). Apart from linear time-invariant systems, this class covers nonlinear systems modeled by Volterra series and their autoregressive variants, as well as systems admitting Hammerstein-type state-space realizations. We apply the proposed framework to the problem of data-driven modeling of such systems, i.e., when simulation or control objectives for an unknown system are carried out without an explicit system identification step. To that end, we link the behavioral approach to two data-driven modeling methods in a vector-valued RKHS: (1) minimum-norm interpolation and (2) subspace identification.
May 7, 2026cs.LG

Physics-based Digital Twins for Integrated Thermal Energy Systems Using Active Learning

Real-time supervisory control of thermal energy distribution systems requires digital twins that are accurate, interpretable, and uncertainty-aware, yet remain data and computationally efficient. High-fidelity simulations alone are costly, while purely data-driven surrogates often lack robustness. To address these challenges, this work proposes an active learning (AL) framework that couples system-level Modelica simulations with four simpler physics-informed and data-driven surrogate modeling approaches: deterministic Sparse Identification of Nonlinear Dynamics with Control (SINDyC), its probabilistic multivariate-Gaussian extension (MvG-SINDyC), feedforward neural network (FNN), and gated recurrent unit (GRU) network. Tailored to each surrogate, model-specific AL query strategies are employed, including Mahalanobis-distance sampling in coefficient space for MvG-SINDyC and error-based sampling in prediction space for SINDyC, FNN, and GRU, allowing the learning process to prioritize dynamically informative trajectories. The proposed approach is demonstrated on the glycol heat exchanger (GHX) subsystem of the Thermal Energy Distribution System (TEDS) at Idaho National Laboratory. Across key GHX outputs--the bypass mass flow rate m˙GHX\dot{m}_{\mathrm{GHX}} and heat transfer rate QGHXQ_{\mathrm{GHX}}-the AL framework achieves comparable predictive accuracy using as few as one-fifth of the simulation trajectories required by random sampling. Among the evaluated surrogates, the GRU achieves the highest predictive fidelity, while SINDyC remains the most computationally efficient and interpretable. The probabilistic MvG-SINDyC surrogate further enables uncertainty quantification and exhibits the largest computational gains under AL.
May 7, 2026stat.ML

End-to-End Identifiable and Consistent Recurrent Switching Dynamical Systems

Learning identifiable representations in deep generative models remains a fundamental challenge, particularly for sequential data with regime-switching dynamics. Existing approaches establish identifiability under restrictive assumptions, such as stationarity or limited emission models, and typically rely on variational autoencoder (VAE) estimators, which introduce approximation gaps that limit the recovery of the latent structure. In this work, we address both the theoretical and practical limitations of this setting. First, we establish identifiability of a broad class of recurrent nonlinear switching dynamical systems under flexible assumptions, significantly extending prior results. Second, we introduce ΩΩSDS, a flow-based estimator that enables exact likelihood optimization using expectation-maximisation. Through empirical validation on both synthetic and real-world data, our results demonstrate that ΩΩSDS achieves improved disentanglement compared to VAE-based estimators and more accurate forecasting of underlying dynamics.
May 6, 2026cs.LG

Koopman Identification of Nonlinear Systems via Reservoir Liftings

Learning tractable linear representations of nonlinear dynamical systems via Koopman operator theory is often hindered by dictionary selection, temporal memory encoding, and numerical ill-conditioning. Inspired by Reservoir Computing (RC) paradigm, this paper introduces the RC-Koopman framework, which interprets reservoir as a stateful, finite-dimensional Koopman dictionary whose temporal depth is explicitly controlled by its spectral radius. We show that the Echo State Property (ESP) guarantees well-posedness and favorable numerical conditioning of the lifted Koopman approximation. A correlation-based spectral radius selection algorithm aligns reservoir memory with dominant system timescales. Analysis reveals how the finite memory of the reservoir determines which Koopman eigenfunctions remain observable from the lifted features. Evaluation on synthetic benchmarks demonstrates that RC-Koopman achieves a favorable balance between reconstruction accuracy of the underlying nonlinear dynamics and dynamical stability, compared to Extended Dynamic Mode Decomposition (EDMD) and Hankel-based lifting approaches. Code available at: https://github.com/NEAR-the-future/RC-Koopman.git
May 5, 2026cs.LG

Model synthesis and identifiability analysis of stiff chemical reaction systems with inVAErt networks

We consider the problem of learning data-driven replicas for stiff systems of ordinary differential equations arising in chemical kinetics that can be evaluated with high computational efficiency. We first focus on training emulators for families of reaction equations under varying reaction rates, using conditional residual networks or long-short term memory architectures. We then apply a recently proposed data-driven framework known as ``inVAErt networks'' to address the ill-posed inverse problem of inferring reaction rates, integration time, and possibly initial conditions from a target set of species concentrations - a problem that has received relatively little attention in the literature. The proposed approach is demonstrated on chemical systems with reversible and irreversible kinetics, spanning 2 to 20 differential equations, 3 to 20 chemical species, and 3 to 25 reaction rate parameters. Relative root mean squared errors produced by the proposed emulators range from 10−510^{-5} for lower-dimensional systems to 10−410^{-4} and 10−310^{-3} for an air pollution model and a hydrogen-air reaction system, respectively. Manifolds of non-identifiable reaction rates recovered by the proposed approach can be analytically verified for simple systems and are consistent with local identifiability analysis in higher dimensions.
May 4, 2026cs.LG

Physics-Informed Neural Learning for State Reconstruction and Parameter Identification in Coupled Greenhouse Climate Dynamics

Physics-informed neural networks (PINNs) have recently emerged as a promising framework for integrating data-driven learning with physical knowledge. In this work, we propose a coupled PINN approach for the joint reconstruction of indoor temperature and humidity dynamics in greenhouse environments, together with simultaneous identification of key model parameters. The method incorporates a reduced-order physically motivated model into the learning process, enabling consistent estimation under sparse and noisy observations. The artificial intelligence contribution lies in the development of a coupled physics-informed neural learning framework that integrates governing dynamical constraints into neural network training, while the engineering application focuses on greenhouse climate state reconstruction and parameter identification. The proposed framework is evaluated on a controlled synthetic benchmark that mimics diurnal forcing conditions. Compared with a purely data-driven neural network baseline, the coupled PINN achieves improved reconstruction accuracy, reducing temperature and humidity errors while maintaining high coefficients of determination. The improvement is particularly pronounced in the humidity channel, where latent moisture dynamics are more difficult to infer from limited measurements. In addition to accurate state reconstruction, the method successfully recovers the dominant physical parameters governing the system dynamics, demonstrating its ability to learn interpretable representations beyond data interpolation. These results highlight the potential of physics-informed learning for greenhouse climate modeling and, more broadly, for data-scarce environmental systems.
May 3, 2026cs.LG

Learning Koopman operators for coupled systems via information on governing equations of subsystems

Nonlinear coupled systems are ubiquitous in science and engineering. The analysis and modeling of such systems is challenging due to their high dimensionality and complex interactions among subsystems. In recent years, operator-theoretic methods based on the Koopman operator have attracted attention as a powerful tool for analyzing and modeling nonlinear dynamical systems. Extended dynamic mode decomposition (EDMD) is one of the most popular methods to approximate the Koopman operator. However, EDMD is a purely data-driven method, and it could be unstable and inaccurate for coupled systems under limited data availability. In this paper, we propose a method to learn the Koopman operator for coupled systems using the differential equations governing each subsystem. We also demonstrate its effectiveness through numerical experiments on coupled oscillator systems.
May 1, 2026eess.SP

Equation-Free Digital Twins for Nonlinear Structural Dynamics

Monitoring high-dimensional engineering structures in extreme environments is limited by non-stationary excitation, nonlinear structural kinematics, and stochastic forcing. Traditional model-based and black-box data-driven methods often struggle to resolve these dynamics in real time, particularly under sensor failure or partial observability. This paper introduces a rank-optimized digital twin framework based on Koopman operator theory, Hankel-matrix embeddings, and dynamic mode decomposition. By lifting operational data into a linear invariant subspace, the method enables autonomous, input-blind reconstruction of structural states without requiring a priori mass or stiffness matrices. The framework is validated on an NREL 5MW spar-buoy floating offshore wind turbine, representing a challenging coupled aero-hydro-servo-elastic system. Results show that the rank-optimized Koopman-Hankel manifold separates structural resonances from deterministic 3P rotor harmonics under colored noise, where standard subspace identification can be unreliable. A rolling-horizon virtual sensing strategy achieves high-fidelity reconstruction at critical structural hotspots, with coefficient of determination greater than 0.95 at 1 Hz data assimilation and accuracy exceeding 0.99 at higher sampling rates. By estimating a physical Lyapunov time of approximately 1.0 s, the study defines the predictability horizon associated with the system information barrier. The proposed framework provides a computationally efficient and resilient digital twin approach for real-time identification and virtual sensing of complex structural dynamics.
Apr 29, 2026nlin.CD

Inferring bifurcation diagrams of two distinct chaotic systems by a single machine

We propose a dual-channel reservoir-computing scheme for inferring the dynamics of two distinct chaotic systems with a single machine. By augmenting a standard reservoir with a system-label channel and a parameter-control channel, the machine can be trained from time series collected from a few sampled states of the two systems. We show that the trained machine not only predicts the short-time evolution of the sampled states, but also reproduces the long-term statistical properties of unseen states, thereby enabling reconstruction of the bifurcation diagrams of both systems from partial observations. The effectiveness of the scheme is demonstrated for the Lorenz and Rössler systems in numerical simulations and for the Chua and Rossler circuits in experiments. Functional-network analysis further shows that the two target systems are encoded by distinct dynamical patterns in the reservoir. These results extend multifunctional and parameter-aware reservoir computing, and provide a route to data-driven inference of multiple nonlinear systems using a single machine.
Apr 28, 2026stat.ML

Residual-loss Anomaly Analysis of Physics-Informed Neural Networks: An Inverse Method for Change-point Detection in Nonlinear Dynamical Systems with Regime Switching

Nonlinear dynamical systems with regime transitions are typically described by ordinary differential equations with jumping parameters parameters. Traditional methods often treat change-point detection and parameter estimation as separate tasks, ignoring the inherent coupling between them. To address this, we propose residual-loss anomaly analysis of physics-informed neural networks, a unified framework that leverages dynamical consistency within the physics-informed learning paradigm. This approach jointly infers piecewise parameters and transition points under a single set of constraints. The method follows a two-stage strategy: First, local physical residuals are analyzed through overlapping subinterval decomposition. When a subinterval spans a true transition point, the residual exhibits a distinct structural elevation in noise-free conditions, which has a non-zero lower bound, enabling effective localization of potential transition intervals. Second, within our framework, change-point locations and piecewise parameters are integrated into a unified physical loss function for joint optimization, enabling simultaneous identification. Experiments on benchmark nonlinear dynamical systems, including Malthusian and logistic growth models, Van der Pol oscillator, Lotka-Volterra model and Lorenz system, demonstrate that the proposed method outperforms traditional decoupled approaches in both change-point localization and parameter estimation accuracy. This study provides an efficient, unified solution for structurally coupled inverse problems in nonlinear dynamical systems with regime switching.
Apr 28, 2026math.DS

Dictionary learning for Kernel EDMD

Studying nonlinear dynamical systems through their state space behavior can be challenging, and one possible alternative is to analyze them via their associated Koopman operator. This turns the nonlinear problem into a linear, infinite-dimensional one. To approximate the operator in finite dimensions, extended dynamic mode decomposition (EDMD) is a commonly used algorithm. It requires a finite list of functionals and a set of snapshots from the system to compute an approximation of the operator and its corresponding spectrum. Instead of choosing the list of functionals directly, it can be implicitly defined via kernels, a method known as kernel extended dynamic mode decomposition (kEDMD). However, one still needs to define the kernel and choose its parameter values. In this paper, we aim to streamline this process by extending dictionary learning for EDMD to kernel learning in kEDMD. By simplifying kEDMD we show how to perform gradient-based optimization over the learnable kernel parameters, and demonstrate that this method leads to useful kernels for the original kEDMD. The focus of our work is a method that takes a weighted list of kernels with randomly initialized values as input and outputs a list of kernels and parameter values suitable for approximating the Koopman operator of the underlying system. We demonstrate that unimportant kernels can be removed from the list by analyzing the weights in the weighted sum. We evaluate the method across several experiments, including the Duffing oscillator and the Kuramoto-Sivashinsky PDE, showcasing the method's different strengths.
Apr 24, 2026cs.LG

Deep Learning for Model Calibration in Simulation of Itaconic Acid Production

In this study, deep learning is used to estimate kinetic parameters for modeling itaconic acid production based on real batch experiments conducted at different agitation speeds and reactor scales. Two deep learning strategies, namely direct deep learning (DDL) and generative conditional flow matching (CFM) are compared and benchmarked against nonlinear regression as a reference method. Compared with DDL, CFM consistently yields more accurate results. The concentration profiles predicted by CFM closely match those obtained from nonlinear regression, whereas DDL results in larger deviations. Similar behavior is observed in the scale-up experiments, where the CFM model again generalizes better and is more robust than the direct approach. These findings demonstrate that CFM can reliably predict system behavior across different operating conditions and scales, offering a flexible and data-efficient framework for parameter estimation in dynamic bioprocess models.