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NAS-PINN: Neural architecture search-guided physics-informed neural network for solving PDEs
Yifan Wang, Linlin Zhong
TL;DR
PINN architecture design has relied on prior knowledge and experience, despite its importance to performance. NAS-PINN searches architectures for given PDEs using a continuous, bi-level approach; experiments report that deeper networks are not always better and that suitable architectures vary across PDEs.
Problem
PINN network structures have generally been chosen from prior knowledge and experience, and architecture-performance studies are described as fragmentary and time-consuming.
Source: §1 · p. 2Method
NAS-PINN relaxes architecture search into a continuous bi-level optimization, using masks to add differently shaped tensors while optimizing network weights and architecture parameters.
Source: §5 · p. 15Results
Across the reported experiments, more hidden layers do not necessarily improve performance and can be harmful; shallow, wider networks can prevail for Poisson and Advection equations, while effective architectures vary across PDEs.
Source: §5 · pp. 15, 17Takeaways & Limitations
The reported architecture diversity makes manual design difficult, while NAS-PINN can investigate effective architectures to guide PINN research.
Source: §5 · p. 17The current work focuses on DNNs; extending the framework to CNN search and studying mixed-layer thresholds and efficiency remain future work.
Source: §5 · p. 17
Abstract
from arXiv · showhide
Physics-informed neural network (PINN) has been a prevalent framework for solving PDEs since proposed. By incorporating the physical information into the neural network through loss functions, it can predict solutions to PDEs in an unsupervised manner. However, the design of the neural network structure basically relies on prior knowledge and experience, which has caused great trouble and high computational overhead. Therefore, we propose a neural architecture search-guided method, namely NAS-PINN, to automatically search the optimum neural architecture for solving certain PDEs. By relaxing the search space into a continuous one and utilizing masks to realize the addition of tensors in different shapes, NAS-PINN can be trained through a bi-level optimization, where the inner loop optimizes the weights and bias of neural networks and the outer loop the architecture parameters. We verify the ability of NAS-PINN by several numerical experiments including Poisson, Burgers, and Advection equations. The characteristics of effective neural architectures for solving different PDEs are summarized, which can be used to guide the design of neural networks in PINN. It is found that more hidden layers do not necessarily mean better performance and sometimes can be harmful. Especially for Poisson and Advection, a shallow neural network with more neurons is more appropriate in PINNs. It is also indicated that for complex problems, neural networks with residual connection can improve the performance of PINNs.
1 INTRODUCTION
The introduction contrasts physics-informed learning with data-intensive approaches and identifies neural-network architecture design as an underexplored PINN challenge. NAS-PINN applies neural architecture search to this problem and evaluates the resulting architectures across PDEs.
- Traditional mesh-based numerical methods can be precise and mathematically rigorous, but their computational cost grows exponentially with PDE dimension.Source: §1 · p. 1
- Neural-operator approaches can handle equations with shared form but different parameters after training, yet require substantial numerical data and remain data-driven.The introduction also notes costs from collecting training data and optimizing network parameters.Source: §1 · pp. 1–2
- PINNs embed physical information through loss functions and use automatic differentiation for partial derivatives; related work explores domains, boundary conditions, gradients, differentiation, and sampling [17].Source: §1 · p. 2
- PINN architectures have largely followed experience-based routines of four to six hidden layers with equal neuron counts, while prior architecture-performance studies are described as fragmentary and time-consuming [21].Source: §1 · p. 2
- Traditional neural architecture search evaluates discrete candidate networks, while differentiable NAS relaxes the search space for gradient-based optimization.The introduction also discusses efficiency approaches including progressive pruning and parameter sharing.Source: §1 · p. 2
- NAS-PINN incorporates architecture search into PINNs, uses masks to add tensors of different shapes, and summarizes effective architectures across PDE experiments.The stated aim is to search automatically for an architecture suited to a given PDE.Source: §1 · p. 2
2 PROBLEM STATEMENT
The problem statement presents a general PDE with an interior equation plus boundary and initial conditions. Its notation identifies the solution, operators, source and prescribed conditions, and computational domain.
- The stated PDE form combines a time derivative and spatial differential operator with a source term, alongside boundary and initial conditions.Source: §2 · p. 3
- The formulation covers a computational domain and its boundary over a time interval, and NAS-PINN is applied to PDEs of this form.Source: §2 · p. 3
- The unknown is the latent solution; F is the spatial differential operator, while B and I calculate boundary and initial values.Source: §2 · p. 3
3 METHOD
The method combines PINNs with differentiable neural architecture search to select dense-network layer counts and neuron counts for solving PDEs. Masks support neuron-count choices, while bi-level optimization trains network parameters and searches architecture parameters.
3.1 Physics-Informed Neural Network (PINN)
- PINN takes spatial and temporal collocation coordinates as input and predicts a solution, with a loss designed to enforce the PDE.The loss can include domain, boundary, and initial-condition terms, weighted and evaluated over their respective collocation points.Source: §3.1 · pp. 3–4
3.2 Differentiable NAS
- Differentiable NAS relaxes candidate operations into a continuous search space optimized by gradient methods, targeting DNN layer counts and neurons per layer in PINNs.After convergence, the candidate operation with the highest learned weight can be selected to obtain a discrete architecture.Source: §3.2 · p. 4
3.3 Masks
- Zero-padding and one-zero masks enable neuron-count choices despite tensor shape constraints, while identity transformations let the search skip layers.Shared weights reduce optional hidden layers to one; architecture weights determine neuron counts and whether layers are retained.Source: §3.3 · pp. 4–5, Figure 2 · p. 5
3.4 NAS-PINN
- NAS-PINN uses bi-level optimization: the inner loop optimizes network weights and bias, while the outer loop searches architecture parameters.Alternate optimization is used, and the outer-loop loss can use a rather small number of data points. After training, architecture weights determine a discrete network; near-equal skip and retain weights can instead yield a mixed model.Source: §3.4 · pp. 5–6
4 NUMERICAL EXPERIMENTS
Experiments evaluate NAS-PINN on Poisson, Burgers, and Advection equations, including irregular domains and a 2-D Burgers problem. The results show that effective architecture depth and width vary by equation and conditions; residual connections are favored for complex irregular-domain problems.
4.1 Poisson equation
- For square-domain Poisson, NAS-PINN found the best architecture in the search space, while a shallow, wide network outperformed deeper ones.The searched architecture had the smallest L2 and maximum errors; the table reports L2 errors for the candidate architectures.Source: §4.1 · p. 7, Table 1 · p. 7, Figure 4 · p. 8
4.2 Poisson equation in irregular computational domains
- On irregular Poisson domains, NAS-PINN adapted well, and residual connections were favored for complex problems, often in middle and later layers.Dumpy outperformed Giant and Slender on circular and L-shaped domains, while NAS-PINN and Giant prevailed on the flower-shaped domain.Source: §4.2 · pp. 8, 11, Table 2 · p. 9
4.3 Burgers equation
- For 1-D Burgers, NAS-PINN predictions were more accurate than the references, especially at υ = 0.1, and generally used three or four hidden layers.The comparisons indicate that more layers may matter more than more neurons for Burgers, while deeper networks do not guarantee better results.Source: §4.3 · p. 11, Table 3 · p. 11, Figure 8 · p. 12
4.4 Advection equation
- For Advection, NAS-PINN architectures achieved the best results, with shallower networks selected as β increased.The reference architecture rankings also varied with β, and larger β values corresponded to higher L2 error.Source: §4.4 · p. 13, Table 4 · p. 13, Figure 10 · p. 14
4.5 2-D Burgers equation
- NAS-PINN achieved the minimum L2 error on 2-D Burgers, improving accuracy by an order of magnitude over four reference architectures.Giant had accuracy close to NAS-PINN but substantially more parameters; more layers helped up to a problem-specific optimum, while too many could hurt.Source: §4.5 · p. 15, Table 5 · p. 15
5 CONCLUSIONS
NAS-PINN searches for PDE-specific neural architectures through continuous, bi-level optimization. Experiments show that effective architectures vary across equations, and greater depth does not always improve performance.
5 CONCLUSIONS
- NAS-PINN relaxes architecture search into a continuous, bi-level optimization that selects hidden-layer counts and per-layer neuron counts using mixed operations and masks.Source: §5 · p. 15
- More hidden layers do not guarantee better performance: shallower, wider networks can prevail for Poisson and Advection, while Burgers favors more layers.Source: §5 · p. 15
- Effective architectures vary across PDEs, and different neuron counts across layers are preferable to uniform-width hidden layers.Source: §5 · pp. 15, 17
- This PDE-specific diversity complicates manual design, while NAS-PINN can help characterize efficient architectures and guide future designs.Source: §5 · p. 17
- NAS-PINN has so far focused on DNNs; extending its search to CNNs and choosing between DNNs and CNNs remain future directions.Source: §5 · p. 17
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This paper cites
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- Fourier Neural Operator for Parametric Partial Differential Equations2020
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- DARTS: Differentiable Architecture Search2018
- SMASH: One-Shot Model Architecture Search through HyperNetworks2017
- SMAC3: A Versatile Bayesian Optimization Package for Hyperparameter Optimization2021