Implementation of tangent linear and adjoint models for neural networks based on a compiler library tool

Scientific machine learning often requires combining known physics with unknown parameters or correction terms learned from data. Existing approaches either ignore known structure, encode it as a soft penalty, or require hand-written PyTorch code for each equation. We present The Neural Compiler, a system that translates programs written in a first-order Scheme-like expression language into frozen, differentiable PyTorch modules. These modules match the source program to floating-point precision and provide gradients through autograd. In hybrid models, the compiled module encodes known physics exactly while learned components model the unknown remainder. We evaluate the compiler across six experiment domains: Feynman physics equations, Lotka-Volterra dynamics, a damped pendulum, a one-dimensional heat equation, three-dimensional vector mechanics, and compositional generalization. Compiled modules match hand-coded PyTorch implementations numerically for single equations, showing no accuracy loss from compilation. With only 1 to 4 trainable parameters, compiled models recover physical constants to less than 1 percent error in most cases, while standard PINN baselines with more than 8500 parameters show 7 to 93 percent error. Compiled modules also compose with zero error, while neural approximations can accumulate large errors in deep composition chains. The main value of the compiler is not improved accuracy over hand-coded equations, but systematic composability: it generates correct, differentiable modules from symbolic specifications without rewriting each equation by hand. The system supports 51 primitive operations, including vector and matrix algebra, enabling PDE discretizations and hybrid scientific models. This string-in, module-out interface also provides a natural target for large language models that translate scientific descriptions into executable differentiable modules.

Physics-informed neural networks (PINNs) reduce or eliminate the need for large labelled datasets by enforcing governing equations during training. Physics-informed Deep Operator Networks (PI-DeepONets) extend this approach to learning solution operators, enabling rapid prediction across families of problems. Despite these advantages, we show that their application to higher-dimensional problems remains limited by the computational cost of training. To address this issue, we propose a modified PI-DeepONet architecture that reduces this cost by removing redundancy in how the Branch network processes input functions across collocation points. The proposed formulation is mathematically equivalent to the original architecture but reduces input tensor sizes and the number of Branch network evaluations. We analyse the computational complexity of both architectures and derive theoretical scaling laws for training time with respect to the number of collocation points and input functions. The proposed architecture is evaluated on 1D, 2D, and 3D linear advection problems. In all cases, it achieves comparable predictive accuracy to the original PI-DeepONet while consistently reducing training time. In 2D experiments, a maximum speed-up of $3.75\times$ is observed, with empirical training-time scaling agreeing with the predicted linear dependence on collocation points and input functions. Furthermore, training a 3D model on an NVIDIA A100 GPU is only feasible using the proposed architecture, as the original formulation exceeds memory limits. These results demonstrate that careful consideration of how PI-DeepONets are implemented can yield substantial gains, enhancing the practical performance of PI-DeepONets and enabling their application to otherwise intractable physics-informed learning problems.

We develop a hybrid modeling framework for coupling pre-trained numerics-informed neural networks (NINNs) with classical full order models (FOMs) using the overlapping Schwarz alternating method. We consider the two-dimensional advection-diffusion equation in the advection-dominated, Peclet-number 10^6 regime. We first demonstrate that, unlike the corresponding physics-informed neural network (PINN), a monolithic NINN can be accurately trained on our model problem without domain decomposition. We then employ overlapping multiplicative Schwarz as a deployment mechanism for coupling a pre-trained, subdomain-local NINN with a neighboring FOM, with the NINN weights held fixed throughout the Schwarz iteration. We consider two training approaches for the subdomain-local NINNs: a top-down approach, in which boundary data are obtained from a coupled Schwarz solve on the full domain with a FOM on each subdomain (FOM-FOM Schwarz), and a bottom-up approach, in which boundary traces are generated synthetically on the NINN subdomain without requiring any full-domain solves. The resulting hybrid NINN-FOM solutions agree closely with the corresponding FOM-FOM Schwarz solutions, with the top-down and bottom-up training approaches yielding comparable accuracy.