On Data-Driven Koopman Representations of Nonlinear Delay Differential Equations

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.

Koopman theory turns nonlinear dynamics into a linear spectral problem. In computation, however, everything depends on a hard finite-dimensional choice: the observables must be expressive, nearly invariant under the dynamics, and, ideally, compatible with composition. Deep Koopman methods learn flexible coordinates, whereas structure-preserving methods enforce operator identities on fixed dictionaries. We combine these ideas by introducing Deep Embedded Multiplicative Dynamic Mode Decomposition (DeepMDMD), a method that learns a latent space and a partition of it, while enforcing the Koopman product rule as an exact algebraic constraint. Training alternates between an exact multiplicative operator update and a differentiable latent-clustering step that promotes Koopman closure. The result is a finite transition map on learned latent cells. Its nonzero spectrum lies on the unit circle, its dictionary is shaped by the dynamics rather than by ambient geometry, and forecasts are made in latent coordinates before being decoded to physical space. Across Hamiltonian, chaotic, and fluid examples, DeepMDMD learns dictionaries that are far more compact and dynamically coherent than those produced by geometric MDMD partitions. It reduces spectral pollution, reveals richer continuous-spectrum structure, and gives stable forecasts under severe noise. In high-dimensional flows, including a 158,624-dimensional cylinder wake and a noisy $Re=20,000$ lid-driven cavity, it preserves coherent structures and long-time spectral statistics where state-space MDMD fails. These results suggest a practical rule for Koopman learning: learn the coordinates, constrain the algebra.

Koopman operator theory provides a linear framework for analyzing nonlinear dynamical systems and has become a major tool for data-driven modeling. A central challenge, however, is that finite-dimensional approximations computed by methods such as extended dynamic mode decomposition (EDMD) require the dictionary to be specified a priori. Recent machine-learning approaches address this limitation by learning the dictionary from data, predominantly using artificial neural network (ANN) autoencoder architectures. Although kernel methods offer an alternative with greater interpretability and tractability for theoretical analysis, they have received little attention in this setting. We introduce extended dynamic mode decomposition with kernel-based dictionary learning (EDMD-kDL), a kernel-based method for learning finite-dimensional Koopman embeddings directly from data. The method combines ideas from collocation methods and bilevel optimization to simultaneously learn a kernel dictionary and the corresponding Koopman approximation. We evaluate EDMD-kDL against state-of-the-art ANN-based approaches on a range of numerical experiments, including global sea-surface-temperature forecasting and learning directly from video data. Across all tested settings, EDMD-kDL achieves performance comparable to or better than the ANN-based methods. Moreover, in contrast to standard kernel methods, the proposed approach is scalable to large datasets by design since the size of the required kernel matrices depends on the number of collocation points rather than the size of the training dataset.