Physics-Informed Neural Networks (PINNs) solve PDEs by incorporating physical constraints into neural-network training, but large-scale problems are limited by automatic-differentiation memory overhead and inefficient execution of grid-based PDE operators. We present FlashPDE, a drop-in fused operator library for grid-based scientific machine learning. FlashPDE replaces fragmented PyTorch finite-difference execution with differentiable Triton kernels. Each operator integrates fused stencil evaluation, an analytic discrete-adjoint backward pass, and boundary-gradient correction within a unified PyTorch autograd Function interface. The library provides 14 differentiable PDE operators covering 17 configurations across 1D--3D elliptic, parabolic, and Navier--Stokes systems, while remaining independent of neural architectures and training strategies. Experiments on an NVIDIA A100 GPU show that FlashPDE reduces peak memory usage by up to 37.0x compared with coordinate-based automatic differentiation and reduces CUDA kernel launches by up to 3.5x compared with eager PyTorch finite-difference implementations. Across six representative PDE benchmarks, FlashPDE achieves up to 2.30x end-to-end time-to-solution speedup and up to 19.2x kernel-level acceleration while maintaining numerical agreement with PyTorch finite-difference references. FlashPDE provides a hardware-efficient execution layer that bridges differentiable PDE solvers and GPU-optimized numerical computation within the PyTorch ecosystem.
We systematically investigate finite-difference (FD) derivative computation in Physics-Informed Neural Networks (PINNs) as an alternative to automatic differentiation (AD). On three benchmark PDEs we show that, with a properly calibrated step size, FD matches AD in accuracy on every problem while running faster across the full tested batch-size range and using substantially less GPU memory, and that a stochastic variant we propose outperforms AD on a stationary problem. We further show that for neural architectures with inter-sample dependencies (e.g. BatchNorm, self-attention) the standard PyTorch autograd idiom is silently incorrect; the correct per-sample alternative is computationally infeasible at PINN-relevant batch sizes, while FD provides a forward-only approximation that is empirically an order of magnitude closer to the true per-sample derivative.
We propose the Memory-Efficient Neural Operator (MENO) as a high-performance PDE neural solver based on the Manifold Function Encoder (MFE). MENO features three primary advantages: (1) MENO has a significantly smaller memory footprint and much faster training speed than other popular architectures, with the memory footprint being independent of the data resolution, and therefore holds the potential for scaling up to large-scale models. (2) MENO can accept PDE inputs of arbitrary form, including arbitrary geometric domains and arbitrary discretizations. In particular, it is capable of handling cross-geometry scenarios, i.e., where the input functions and the output solutions are defined on different manifolds. (3) MENO exhibits strong generalization capability, and achieves the best accuracy on most of the benchmarks we tested, compared with the results reported in the literature. The code is available on GitHub at https://github.com/jpzxshi/MENO, and all numerical examples in this paper can be run with a single command to reproduce the reported results.
We present PDEFlow, an autonomous agentic framework that turns user-level ODE and PDE descriptions into solver-backed neural-operator pipelines. The workflow links problem specification, data generation, operator training, and checkpoint-based inference. A stateful input graph converts multi-turn natural-language input and user edits into validated problem specifications. The data-generation module then samples parameters, solves the configured governing-equation with FEniCSx finite-element backend, and stores the solutions as operator-ready tensors. The training and inference stages use a registry-based interface, allowing different neural operators to be trained and deployed without changing the surrounding pipeline. In the current implementation, we instantiate this interface with a multi-branch Bayesian DeepONet. Experiments on benchmark ODE and PDE tasks show that PDEFlow can construct valid specifications, generate solver-backed datasets, train neural operators across steady and transient problem classes, and provide solver-free predictions from saved checkpoints. The framework is designed for repeatable scientific and engineering workflows where many related physics configurations must be specified, simulated, learned, and queried with minimal manual intervention.