Sparse POD Mode Selection and Manifold Dimensionality Reduction with Neural Networks
Authors: Tomoki Koike, Prakash Mohan, Marc T. Henry de Frahan, Elizabeth Qian, Julie Bessac
Organizations: School of Aerospace Engineering, Georgia Institute of Technology, Atlanta, GA · Computational Science Center, National Laboratory of the Rockies (NLR), Golden, CO
Abstract
Linear dimensionality reduction methods such as proper orthogonal decomposition (POD) make high-dimensional data amenable to analysis by identifying the principal components, or modes, that capture the most variance, or energy, in the data and constructing a low-dimensional representation in the subspace they span. Such linear methods struggle, however, for data with slowly decaying Kolmogorov n-widths, such as advection-dominated and turbulent flows, which require many modes for accurate reconstruction; moreover, energy-based truncation can discard low-energy modes needed to capture small-scale features. Recent nonlinear manifold methods using polynomial mappings with alternating or greedy mode selection achieve better reconstruction with fewer modes, but fix the form of the nonlinear mapping a priori, limiting expressivity. In contrast, neural network (NN) manifolds offer greater expressivity yet employ energy-based selection. We present SparseModesNet, a dimensionality reduction framework that employs linear encoding and nonlinear NN decoding. The decoder leverages LassoNet, a method enforcing hierarchical sparsity through a residual connection with a linear skip layer, to simultaneously select informative modes and learn a nonlinear mapping that minimizes reconstruction error. On benchmark advection-dominated and chaotic flows, SparseModesNet matches or exceeds state-of-the-art performance. For turbulent channel flow at friction Reynolds number Reτ=5200, our method reduces reconstruction error by 51-78% compared to existing polynomial manifold methods while maintaining interpretability through physically meaningful mode selection.
This paper proposes a novel data-driven algorithm to approximate the dominant eigenfunctions (aka.~modes) of the Koopman operator of nonlinear dynamical systems using neural networks. The relevance of learning the dominant Koopman modes is to approximate nonlinear dynamics by linear ones in a lifted space, thereby enabling simplified control and analysis. To fight the curse of dimensionality arising from using expressive templates (here neural networks) for the mode approximation, the proposed method leverages a power-iteration scheme that directly learns the dominant Koopman modes without explicitly constructing the projection of the Koopman operator on the template of functions. Our approach connects to other approaches in the literature that avoid the curse of dimensionality by learning small dictionaries of functions, but differs from them in that we do not require ``anti-collapse mechanisms'' to ensure that the learned dictionary is expressive enough to approximate the Koopman operator since our power-iteration scheme is designed to converge toward the dominant modes of the projected Koopman operator. The approach is fully data-driven, requiring only sampled state transitions. Theoretical guarantees are provided, showing convergence under increasing sample size and network width (in connection with the neural tangent kernel theorem). Numerical experiments demonstrate that the method achieves accurate and smooth approximations of dominant modes while avoiding the limitations of traditional techniques such as extended dynamic mode decomposition.
Autoencoders are widely used for nonlinear dimensionality reduction and manifold learning. While most common implementations rely on both nonlinear encoders and decoders, we investigate the specific role of the encoder and the extent to which it can be constrained to be linear without reducing accuracy. We conduct a comparative study on four autoencoder architectures: standard fully nonlinear autoencoders (AE), linear-encoder autoencoders (Lenc-AE), linear-decoder autoencoders (Ldec-AE), and fully linear autoencoders (LAE), evaluated on synthetic manifolds, computational mechanics data sets, and real-world image data sets including MNIST. We demonstrate that imposing a linear encoder preserves most of the representational capacity of the autoencoder, provided the decoder remains nonlinear. In particular, Lenc-AE consistently outperforms both Ldec-AE and LAE, and achieves reconstruction quality comparable to fully nonlinear AE, while offering advantages in terms of parsimony and interpretability of the latent representation. These results suggest that the nonlinear decoder is the critical component for manifold learning, rather than the encoder. A geometric interpretation of this finding is developed, which identifies the precise conditions under which a linear encoder is sufficient, and the specific manifold configurations that expose its limitations.
Cross-Reynolds generalisation in neural PDE solvers remains poorly characterised. On the canonical forced 2D Navier-Stokes benchmark, a trained Fourier Neural Operator reaches 46.68% relative L2 error under a 10x Reynolds-number shift, yet zero-forward-model retrieval baselines already improve to 41-42%. This suggests representation geometry as a major organising variable among the tested methods. We test this hypothesis through ConvAE-Relay, which matches states in a source-trained convolutional autoencoder latent space and borrows dynamics from a source-regime database, achieving 38.34+/-0.07% using only a source-regime database and no target-regime fitting, labels, or database entries. A 2x2 ablation isolates matching quality as dominant over the update rule. Oracle experiments confirm that source-regime dynamics directions remain transferable (cosine similarity ~0.84) when matching stays on-manifold; autoregressive drift is the primary bottleneck (~12 percentage points). From the learned-prediction side, a U-Net with multi-scale skip connections achieves 34.72+/-0.60%, consistent with the retrieval-side finding that local, multi-scale representations organise cross-Reynolds transfer among tested methods. All claims are scoped to this benchmark.