Dirac-Frenkel dynamics with inertia for nonlinearly parametrized solutions of evolution problems
Authors: Matteo Raviola, Benjamin Peherstorfer
Organizations: Scientific Computing and Uncertainty Quantification - CADMOS Chair, EPFL · Courant Institute of Mathematical Sciences, New York University
Even when Dirac-Frenkel dynamics determine a well-defined evolution in function space, the corresponding parameter dynamics can be non-unique or ill-conditioned for redundant nonlinear parametrizations such as neural networks or mixture models. We propose to add inertia to the Dirac-Frenkel dynamics and show that this allows useful parameter velocity information to persist from the past trajectory in directions that are weakly informed, while well-informed parameter velocity directions continue to follow the Dirac-Frenkel dynamics. We prove that the inertial formulation yields well-posed parameter dynamics and provide a posteriori error bounds. After time discretization, the method requires the solution of the same type of regularized linear least-squares problem as standard Dirac-Frenkel dynamics, but with the previous velocity appearing as an anchor. Numerical experiments demonstrate the increased robustness obtained with inertia.
Dirac-Frenkel instantaneous residual minimization evolves nonlinear parametrizations of PDE solutions in time, but ill-conditioning can render the parameter dynamics non-unique. We interpret this non-uniqueness as a gauge freedom: nullspace directions that leave the time derivative unchanged can be used to select better-conditioned parameter velocities. Building on Onsager's minimum-dissipation principle, we introduce a history variable -- interpretable as momentum -- and inject it only along the nullspace directions. The resulting Dirac-Frenkel-Onsager dynamics preserve instantaneous residual minimization, in contrast to standard regularization that can introduce bias, while promoting temporally smooth parameter evolutions. Examples demonstrate that the approach leads to increased robustness in singular and near-singular regimes.
Generalizing neural surrogate models across different PDE parameters remains difficult because changes in PDE coefficients often make learning harder and optimization less stable. The problem becomes even more severe when the model must also predict beyond the training time range. Existing methods usually cannot handle parameter generalization and temporal extrapolation at the same time. Standard parameterized models treat time as just another input and therefore fail to capture intrinsic dynamics, while recent continuous-time latent methods often rely on expensive test-time auto-decoding for each instance, which is inefficient and can disrupt continuity across the parameterized solution space. To address this, we propose Disentangled Latent Dynamics Manifold Fusion (DLDMF), a physics-informed framework that explicitly separates space, time, and parameters. Instead of unstable auto-decoding, DLDMF maps PDE parameters directly to a continuous latent embedding through a feed-forward network. This embedding initializes and conditions a latent state whose evolution is governed by a parameter-conditioned Neural ODE. We further introduce a dynamic manifold fusion mechanism that uses a shared decoder to combine spatial coordinates, parameter embeddings, and time-evolving latent states to reconstruct the corresponding spatiotemporal solution. By modeling prediction as latent dynamic evolution rather than static coordinate fitting, DLDMF reduces interference between parameter variation and temporal evolution while preserving a smooth and coherent solution manifold. As a result, it performs well on unseen parameter settings and in long-term temporal extrapolation. Experiments on several benchmark problems show that DLDMF consistently outperforms state-of-the-art baselines in accuracy, parameter generalization, and extrapolation robustness.
We consider the problem of approximating a function by an element of a nonlinear manifold which admits a differentiable parametrization, typical examples being neural networks with differentiable activation functions or tensor networks. Natural gradient descent (NGD) for the optimization of a loss function can be seen as a preconditioned gradient descent where updates in the parameter space are driven by a functional perspective. In a spirit similar to Newton's method, a NGD step uses, instead of the Hessian, the Gram matrix of the generating system of the tangent space to the approximation manifold at the current iterate, with respect to a suitable metric. This corresponds to a locally optimal update in function space, following a projected gradient onto the tangent space to the manifold. Still, both gradient and natural gradient descent methods get stuck in local minima. Furthermore, when the model class is a nonlinear manifold or the loss function is not ideally conditioned (e.g., the KL-divergence for density estimation, or a norm of the residual of a partial differential equation in physics informed learning), even the natural gradient might yield non-optimal directions at each step. This work introduces a natural version of classical inertial dynamic methods like Heavy-Ball or Nesterov and show how it can improve the learning process when working with nonlinear model classes.