GradRepair-ODE: Certified Gradient Repair for Neural ODE Training

Spatiotemporal forecasting in physical systems, such as large-scale traffic networks, requires modeling a dual dynamic: continuous macroscopic rhythms and discrete, unpredictable microscopic shocks. While Neural Ordinary Differential Equations (ODEs) excel at capturing smooth evolution, their inherent Lipschitz continuity constraints inevitably cause severe over-smoothing when confronting abrupt anomalies. Recent physics-informed methods attempt to bypass this by penalizing numerical integration errors to enforce manifold smoothness. However, we mathematically reveal that such rigid regularization inherently triggers gradient conflicts and ``attention collapse,'' stripping the model of its sensitivity to anomalies. To resolve this continuity-shock dilemma, we propose Local Truncation Error-Guided Neural ODEs (LTE-ODE). Rather than treating numerical error as a nuisance to be eliminated, we innovatively repurpose the Local Truncation Error (LTE) as an unsupervised forward inductive bias. By mapping the LTE into a dynamic spatial attention mask, our architecture gracefully preserves high-precision continuous ODE evolution in stable regions, while adaptively triggering a discrete compensation branch exclusively at shock points. Trained purely end-to-end without manifold penalties, LTE-ODE achieves state-of-the-art performance on multiple large-scale benchmarks, exhibiting exceptional robustness against highly non-linear fluctuations. Furthermore, our ablation on integration steps demonstrates high deployment flexibility, allowing the model to seamlessly adapt to varying hardware memory constraints in real-world applications.

We introduce a technique that enables Neural-ODEs to approximate arbitrary velocity fields with a priori planted fixed-points. Specifically, a recipe is given to explicitly accommodate for a finite collection of points in the reference multi-dimensional space of the Neural-ODE where the velocity field is exactly equal to zero. In this way, the gradient-based training is rigorously constrained inside the prescribed hypothesis class while leaving the expressive power of the Neural-ODE unaltered. We rigorously prove the universality of the Neural-ODE under any local constraints in the velocity field and give a computationally convenient way of imposing the fixed points. Our method is then tested on two paradigmatic physical models.

Recovering continuous-time dynamics from discrete observations is difficult because local supervision (e.g., pointwise regression targets, derivative approximations, or equation residuals) loses fidelity as the observation interval grows. We replace local supervision with a global structural constraint: any flow representing autonomous dynamics must satisfy the semi-group property under time translation. We train a time-conditioned secant velocity field whose deviation from this property, which we call Symmetry Rupture, serves two purposes. As a training regularizer, it confines the hypothesis space to flows that compose consistently across temporal scales. As an inference oracle, it lets the solver select the largest step size that preserves internal consistency, replacing the local truncation error that conventional adaptive solvers depend on. On the diffusion-reaction benchmark under time-informed inference, our method reduces rollout RMSE by 87% while using 5x fewer function evaluations than a Neural ODE baseline. In the more demanding direct auto-regressive setting, where the model must predict distant future frames without intermediate temporal cues, our adaptive solver allocates compute based on local geometric complexity -- maintaining the lowest rollout RMSE on two of three PDE benchmarks while baselines either diverge or require up to an order of magnitude more function evaluations to remain stable.