Locality-Aware Automatic Differentiation on the GPU for Mesh-Based Computations

Abstract

We present a GPU-based system for automatic differentiation (AD) of functions defined on triangle meshes, designed to exploit the locality and sparsity in mesh-based computation. Our system evaluates derivatives using per-element forward-mode AD, confining all computation to registers and shared memory and assembling global gradients, sparse Jacobians, and sparse Hessians directly on the GPU. By avoiding global computation graphs, intermediate buffers, and device-host synchronization, our approach minimizes memory traffic and enables efficient differentiation under both static and dynamically changing sparsity. Our programming model lets users express energy terms over mesh neighborhoods, while our system automatically manages parallel execution, derivative propagation, sparse assembly, and matrix-free operations such as Hessian-vector products. Our system supports both scalar- and vector-valued objectives, dynamic interaction-driven sparsity updates, and seamless integration with external GPU sparse linear solvers. We evaluate our system on applications including elastic and cloth simulation, surface parameterization, mesh smoothing, frame field design, ARAP deformation, and spherical manifold optimization. Across these tasks, our system consistently outperforms state-of-the-art differentiation frameworks, including PyTorch, JAX, Warp, DrJIT, EnzymeAD, and Thallo. We demonstrate speedups across a range of solver types, from Newton and Gauss-Newton for nonlinear least squares to L-BFGS and gradient descent, and across different derivative usage modes, including Hessian-vector products as well as full sparse Hessian and Jacobian construction. Our system is available as open source at https://github.com/owensgroup/RXMesh.