Physics-Guided Dimension Reduction for Simulation-Free Operator Learning of Stiff Differential-Algebraic Systems

Differential-algebraic equations (DAEs) with state-dependent events arise in systems whose continuous dynamics are constrained by algebraic equations and interrupted by mode changes, switching logic, impacts, or state reinitializations. Gradient-based parameter learning for such systems is challenging because algebraic variables are implicitly defined, event times depend on the parameters, and reset maps introduce discontinuities. This paper studies differentiable parameter optimization for semi-explicit DAEs with events. We formulate the learning problem as a constrained least-squares problem with DAE dynamics, algebraic constraints, guard equations, and reset maps. We then develop two complementary gradient-computation strategies. The first is an automatic-differentiation-through-simulation method that solves algebraic variables inside the vector field, differentiates the algebraic solve using the implicit function theorem, and handles events through segmented differentiable integration. The second is an explicit discrete-adjoint method that represents the forward simulation as an event-split residual system and computes gradients by solving for the Lagrange multipliers of smooth-segment and event residuals. The formulation clarifies that residual terms in the adjoint method are equality constraints, not heuristic penalties. We compare the two approaches in terms of gradient interpretation, event-time handling, implementation complexity, and local validity. Both methods provide gradients for the event path selected by the forward simulation and are valid under fixed event ordering and transversal guard crossings.

Inverse problems for differential equations arise throughout science and engineering, where one seeks to infer unknown model parameters from noisy or incomplete observations. Traditional numerical methods for these problems are often computationally expensive, particularly in Bayesian settings where evaluating the likelihood becomes costly for complex forward models and high-dimensional parameter spaces. To address this challenge, we introduce DeepGaLA, a neural-network surrogate for differential equation solvers that provides uncertainty-aware predictions, reducing overconfident inference when training data are limited. To evaluate the fidelity of the surrogate-induced posterior approximations in practice, we show that a short run of delayed-acceptance Markov chain Monte Carlo can serve as an effective diagnostic. Across a range of numerical experiments, DeepGaLA delivers forward-model approximations with accuracy comparable to established Gaussian-process surrogates, while better maintaining efficiency as parameter dimension grows. Moreover, it can incorporate differential-equation constraints, including in nonlinear settings. Overall, these results indicate that uncertainty-quantified neural surrogates can enable scalable and reliable Bayesian inference for inverse problems in complex systems.

Neural operators are widely used as surrogate solution maps for partial differential equations (PDEs), but full-size models can be costly to store, deploy, and evaluate in many-query scientific workflows. This work introduces Operator Boosting, a stagewise residual-learning framework for constructing compact neural-operator surrogates directly, rather than training a large model and compressing it afterward. Starting from the empirical mean predictor in normalized output coordinates, the method trains a sequence of tiny same-family neural operators on residual fields and incorporates each correction through validation-selected shrinkage. We instantiate the framework with Fourier neural operators (FNOs), DeepONets, and convolutional neural operators (CNOs), and compare boosted tiny stacks against full-size monolithic baselines across one-, two-, and three-dimensional PDE benchmarks from PDEBench, APEBench, and The Well. Across 30 dataset-architecture pairs, 21 show positive mean accuracy gains and 17 have positive confidence intervals, while all boosted stacks reduce trainable parameter count by approximately 72-95%. Best-model comparisons show empirical Pareto improvements on 7 of 10 completed PDE benchmarks, including two-dimensional Navier-Stokes, shallow-water dynamics, Darcy flow, one-dimensional transport and reaction systems, and three-dimensional compressible Navier-Stokes. These results show that Operator Boosting often improves the empirical accuracy-parameter Pareto frontier of neural PDE surrogates, while also exposing PDE- and architecture-dependent regimes where residual boosting fails to offset compression.