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Automatic Differentiation from Scratch: How PyTorch Computes Gradients in Physics-Informed Neural Networks

Machine Learning 2026-06-13 v1 Mathematical Software Numerical Analysis

Abstract

This paper traces, with explicit numerical values, how PyTorch's automatic differentiation (AD) engine computes gradients for Physics-Informed Neural Network (PINN) training -- a setting that requires two levels of differentiation: computing the physics derivative y^(t)=dy^/dt\hat{y}'(t)=d\hat{y}/dt through the network, and computing parameter gradients θL\nabla_\theta L of a loss that itself depends on y^(t)\hat{y}'(t). Using a 1-3-3-1 multilayer perceptron and the initial value problem y(t)+y(t)=0y'(t)+y(t)=0, y(0)=1y(0)=1, we trace the complete pipeline at every node: the computational graph built during the forward pass, the reverse-mode backward traversal that computes all 22 parameter gradients in a single pass, and the graph-on-graph mechanism by which \texttt{create\_graph=True} enables correct differentiation through the physics-informed residual. Every adjoint value is verified against the hand derivations of Tahimi (2026), connecting the P/QP/Q sensitivity framework to the vector--Jacobian products used by PyTorch's autograd engine.

Cite

@article{arxiv.2607.13042,
  title  = {Automatic Differentiation from Scratch: How PyTorch Computes Gradients in Physics-Informed Neural Networks},
  author = {Abdeladhim Tahimi},
  journal= {arXiv preprint arXiv:2607.13042},
  year   = {2026}
}

Comments

25 pages, 9 figures. Educational tutorial on automatic differentiation for Physics-Informed Neural Networks (PINNs) using PyTorch. Includes complete numerical derivations and computational graph analysis