Projected Neural Differential Equations for Learning Constrained Dynamics

Enforcing nonlinear inequality constraints in neural networks remains challenging, especially when the output is subject to many coupled constraints. Existing hard constraint methods often impose structural restrictions on the constraint set or introduce substantial computational overhead for large-scale nonlinear problems. Here, we propose DiffSlack, a differentiable projection layer for nonlinear inequality-constrained neural prediction. DiffSlack reformulates inequalities as equalities with learnable slack variables, which are predicted as part of the augmented network output and provide a data-driven warm start for damped Gauss-Newton projection. The projection layer maps raw predictions onto the augmented feasible manifold while preserving end-to-end differentiability. A two-stage curriculum further stabilizes training and improves constraint satisfaction. We evaluate DiffSlack on vehicle path planning with 200 nonlinear inequality constraints from collision avoidance, curvature limits, and waypoint spacing. Compared with existing learning-based baselines, DiffSlack achieves a higher planning success rate and stronger geometric constraint satisfaction under a comparable inference budget. Ablation studies further show that the hard projection layer reduces sensitivity to supervision quality. Closed-loop tracking in CARLA and real-world vehicle experiments confirms the executability of the generated trajectories. These results demonstrate that DiffSlack provides a practical and scalable approach to embedding hard inequality constraints into neural networks for engineering applications.

Machine learning models are increasingly used to model chemical process systems, yet they often lack principled uncertainty quantification and mechanisms to enforce physical constraints. We propose a probabilistic neural network framework that guarantees satisfaction of linear equality constraints within a given tolerance, while capturing aleatoric uncertainty. Compared to state-of-the-art methods, our formulation demonstrates improved predictive accuracy, uncertainty calibration, and adherence to constraints on reduced data. It also demonstrates competitive performance, but with significantly faster training times when evaluated on large data regimes. We evaluated this on two batch reactor case studies, enforcing mass balances.

Many real-world systems evolve continuously, yet most machine learning models interpret time series as discrete sequences. Continuous-time approaches instead treat time series as samples from an underlying input path, a formulation that naturally accommodates irregularly sampled or oversampled data. Among these, Neural Controlled Differential Equations (NCDEs) are a maximally expressive class of models that parametrise a vector field using a neural network and evolve their hidden state by solving a dynamical system driven by the input path. NCDEs typically use a non-linear vector field, so their expressive power and continuous-time flexibility come at the cost of a forward pass that is both computationally expensive and inherently sequential, limiting their scalability and practical applicability. This thesis advances the training and scalability of NCDEs through three complementary contributions. First, building on neural rough differential equations, Log-NCDEs apply the Log-ODE method to efficiently approximate an NCDE's solution during training, improving both computational speed and empirical performance. Second, Linear NCDEs replace the non-linear vector field with a linear one, enabling closed-form solutions and parallel-in-time computation without sacrificing theoretical expressivity. Third, Structured Linear NCDEs use structured linear vector fields to further enhance efficiency while maintaining theoretical expressiveness and empirical performance. Collectively, these methods reduce the time per training step for an NCDE by up to three orders of magnitude while achieving state-of-the-art performance across diverse time series benchmarks.