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Improving Energy Natural Gradient Descent through Woodbury, Momentum, and Randomization

Neural Information Processing Systems

Natural gradient methods significantly accelerate the training of Physics-Informed Neural Networks (PINNs), but are often prohibitively costly. We introduce a suite of techniques to improve the accuracy and efficiency of energy natural gradient descent (ENGD) for PINNs. First, we leverage the Woodbury formula to dramatically reduce the computational complexity of ENGD. Second, we adapt the Subsampled Projected-Increment Natural Gradient Descent algorithm from the variational Monte Carlo literature to accelerate the convergence. Third, we explore the use of randomized algorithms to further reduce the computational cost in the case of large batch sizes. We find that randomization accelerates progress in the early stages of training for low-dimensional problems, and we identify key barriers to attaining acceleration in other scenarios. Our numerical experiments demonstrate that our methods outperform previous approaches, achieving the same L2 error as the original ENGD up to 75 faster.


Uncertainty Quantification for Physics-Informed Neural Networks with Extended Fiducial Inference

Neural Information Processing Systems

Uncertainty quantification (UQ) in scientific machine learning is increasingly critical as neural networks are widely adopted to tackle complex problems across diverse scientific disciplines. For physics-informed neural networks (PINNs), a prominent model in scientific machine learning, uncertainty is typically quantified using Bayesian or dropout methods. However, both approaches suffer from a fundamental limitation: the prior distribution or dropout rate required to construct honest confidence sets cannot be determined without additional information. In this paper, we propose a novel method within the framework of extended fiducial inference (EFI) to provide rigorous uncertainty quantification for PINNs. The proposed method leverages a narrow-neck hyper-network to learn the parameters of the PINN and quantify their uncertainty based on imputed random errors in the observations. This approach overcomes the limitations of Bayesian and dropout methods, enabling the construction of honest confidence sets based solely on observed data. This advancement represents a significant breakthrough for PINNs, greatly enhancing their reliability, interpretability, and applicability to real-world scientific and engineering challenges. Moreover, it establishes a new theoretical framework for EFI, extending its application to large-scale models, eliminating the need for sparse hyper-networks, and significantly improving the automaticity and robustness of statistical inference.


Consistency of Physics-Informed Neural Networks for Second-Order Elliptic Equations

Neural Information Processing Systems

The physics-informed neural networks (PINNs) are widely applied in solving differential equations. However, few studies have discussed their consistency. In this paper, we consider the consistency of PINNs when applied to secondorder elliptic equations with Dirichlet boundary conditions. We first provide the necessary and sufficient condition for the consistency of the physics-informed kernel gradient flow algorithm. And then, as a direct corollary, when the neural network is sufficiently wide, we derive a necessary and sufficient condition for the consistency of PINNs based on the neural tangent kernel theory. Additionally, we provide non-asymptotic loss bounds for physics-informed kernel gradient flow and PINN under suitable stronger assumptions. Finally, these results inspire us to construct a notable pathological example in which the PINN method is inconsistent.


HyPINO: Multi-Physics Neural Operators via HyperPINNs and the Method of Manufactured Solutions

Neural Information Processing Systems

We present HyPINO, a multi-physics neural operator designed for zero-shot generalization across a broad class of PDEs without requiring task-specific fine-tuning. Our approach combines a Swin Transformer-based hypernetwork with mixed supervision: (i) labeled data from analytical solutions generated via the Method of Manufactured Solutions (MMS), and (ii) unlabeled samples optimized using physics-informed objectives. The model maps PDE parameterizations to target Physics-Informed Neural Networks (PINNs) and can handle linear elliptic, hyperbolic, and parabolic equations in two dimensions with varying source terms, geometries, and mixed Dirichlet/Neumann boundary conditions, including interior boundaries. HyPINO achieves strong zero-shot accuracy on seven benchmark problems from PINN literature, outperforming U-Nets, Poseidon, and Physics-Informed Neural Operators (PINO). Further, we introduce an iterative refinement procedure that treats the residual of the generated PINN as "delta PDE" and performs another forward pass to generate a corrective PINN. Summing their contributions and repeating this process forms an ensemble whose combined solution progressively reduces the error on six benchmarks and achieves a >100 lower L2 loss in the best case, while retaining forward-only inference. Additionally, we evaluate the fine-tuning behavior of PINNs initialized by HyPINO and show that they converge faster and to lower final error than both randomly initialized and Reptilemeta-learned PINNs on five benchmarks, performing on par on the remaining two. Our results highlight the potential of this scalable approach as a foundation for extending neural operators toward solving increasingly complex, nonlinear, and high-dimensional PDE problems. The code and model weights are publicly available at https://github.com/rbischof/hypino.


FP64 is All You Need: Rethinking Failure Modes in Physics-Informed Neural Networks

Neural Information Processing Systems

Physics-Informed Neural Networks (PINNs) often exhibit "failure modes" in which the PDE residual loss converges while the solution error stays large, a phenomenon traditionally blamed on local optima separated from the true solution by steep loss barriers. We challenge this understanding by demonstrate that the real culprit is insufficient arithmetic precision: with standard FP32, the L-BFGS optimizer prematurely satisfies its convergence test, freezing the network in a spurious failure phase. Simply upgrading to FP64 rescues optimization, enabling vanilla PINNs to solve PDEs without any failure modes. These results reframe PINN failure modes as precision-induced stalls rather than inescapable local minima and expose a three-stage training dynamic--un-converged, failure, success--whose boundaries shift with numerical precision. Our findings emphasize that rigorous arithmetic precision is the key to dependable PDE solving with neural networks.


Improving Energy Natural Gradient Descent through Woodbury, Momentum, and Randomization

Neural Information Processing Systems

Natural gradient methods significantly accelerate the training of Physics-Informed Neural Networks (PINNs), but are often prohibitively costly. We introduce a suite of techniques to improve the accuracy and efficiency of energy natural gradient descent (ENGD) for PINNs. First, we leverage the Woodbury formula to dramatically reduce the computational complexity of ENGD. Second, we adapt the Subsampled Projected-Increment Natural Gradient Descent algorithm from the variational Monte Carlo literature to accelerate the convergence. Third, we explore the use of randomized algorithms to further reduce the computational cost in the case of large batch sizes. We find that randomization accelerates progress in the early stages of training for low-dimensional problems, and we identify key barriers to attaining acceleration in other scenarios. Our numerical experiments demonstrate that our methods outperform previous approaches, achieving the same $L^2$ error as the original ENGD up to $75\times$ faster.


Gradient Alignment in Physics-informed Neural Networks: A Second-Order Optimization Perspective

Neural Information Processing Systems

Physics-informed neural networks (PINNs) have shown significant promise in computational science and engineering, yet they often face optimization challenges and limited accuracy. In this work, we identify directional gradient conflicts during PINN training as a critical bottleneck. We introduce a novel gradient alignment score to systematically diagnose this issue through both theoretical analysis and empirical experiments. Building on these insights, we show that (quasi) second-order optimization methods inherently mitigate gradient conflicts, thereby consistently outperforming the widely used Adam optimizer. Among them, we highlight the effectiveness of SOAP \cite{vyas2024soap} by establishing its connection to Newton's method. Empirically, SOAP achieves state-of-the-art results on 10 challenging PDE benchmarks, including the first successful application of PINNs to turbulent flows at Reynolds numbers up to 10,000. It yields 2-10x accuracy improvements over existing methods while maintaining computational scalability, advancing the frontier of neural PDE solvers for real-world, multi-scale physical systems.


Consistency of Physics-Informed Neural Networks for Second-Order Elliptic Equations

Neural Information Processing Systems

The physics-informed neural networks (PINNs) are widely applied in solving differential equations. However, few studies have discussed their consistency. In this paper, we consider the consistency of PINNs when applied to second-order elliptic equations with Dirichlet boundary conditions. We first provide the necessary and sufficient condition for the consistency of the physics-informed kernel gradient flow algorithm, and then as a direct corollary, when the neural network is sufficiently wide, we obtain a necessary and sufficient condition for the consistency of PINNs based on the neural tangent kernel theory. We also estimate the non-asymptotic loss bounds of physics-informed kernel gradient flow and PINN under suitable stronger assumptions. Finally, these results inspires us to construct a notable pathological example where the PINN method is inconsistent.


HyPINO: Multi-Physics Neural Operators via HyperPINNs and the Method of Manufactured Solutions

Neural Information Processing Systems

We present HyPINO, a multi-physics neural operator designed for zero-shot generalization across a broad class of PDEs without requiring task-specific fine-tuning. Our approach combines a Swin Transformer-based hypernetwork with mixed supervision: (i) labeled data from analytical solutions generated via the Method of Manufactured Solutions (MMS), and (ii) unlabeled samples optimized using physics-informed objectives. The model maps PDE parameterizations to target Physics-Informed Neural Networks (PINNs) and can handle linear elliptic, hyperbolic, and parabolic equations in two dimensions with varying source terms, geometries, and mixed Dirichlet/Neumann boundary conditions, including interior boundaries. HyPINO achieves strong zero-shot accuracy on seven benchmark problems from PINN literature, outperforming U-Nets, Poseidon, and Physics-Informed Neural Operators (PINO). Further, we introduce an iterative refinement procedure that treats the residual of the generated PINN as delta PDE and performs another forward pass to generate a corrective PINN. Summing their contributions and repeating this process forms an ensemble whose combined solution progressively reduces the error on six benchmarks and achieves a > 100 lower $L_2$ loss in the best case, while retaining forward-only inference. Additionally, we evaluate the fine-tuning behavior of PINNs initialized by HyPINO and show that they converge faster and to lower final error than both randomly initialized and Reptile-meta-learned PINNs on five benchmarks, performing on par on the remaining two. Our results highlight the potential of this scalable approach as a foundation for extending neural operators toward solving increasingly complex, nonlinear, and high-dimensional PDE problems. The code and model weights are publicly available at https://github.com/rbischof/hypino.


FP64 is All You Need: Rethinking Failure Modes in Physics-Informed Neural Networks

Neural Information Processing Systems

Physics Informed Neural Networks (PINNs) often exhibit "failure modes" in which the PDE residual loss converges while the solution error stays large, a phenomenon traditionally blamed on local optima separated from the true solution by steep loss barriers. We challenge this understanding by demonstrate that the real culprit is insufficient arithmetic precision: with standard FP32, the L BFGS optimizer prematurely satisfies its convergence test, freezing the network in a spurious failure phase. Simply upgrading to FP64 rescues optimization, enabling vanilla PINNs to solve PDEs without any failure modes. These results reframe PINN failure modes as precision induced stalls rather than inescapable local minima and expose a three stage training dynamic--un converged, failure, success--whose boundaries shift with numerical precision. Our findings emphasize that rigorous arithmetic precision is the key to dependable PDE solving with neural networks. Our code is available at Supplementary Material.