Physics-informed neural networks with hard constraints for inverse design
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Abstract (arXiv)
Inverse design arises in a variety of areas in engineering such as acoustic, mechanics, thermal/electronic transport, electromagnetism, and optics. Topology optimization is a major form of inverse design, where we optimize a designed geometry to achieve targeted properties and the geometry is parameterized by a density function. This optimization is challenging, because it has a very high dimensionality and is usually constrained by partial differential equations (PDEs) and additional inequalities. Here, we propose a new deep learning method -- physics-informed neural networks with hard constraints (hPINNs) -- for solving topology optimization. hPINN leverages the recent development of PINNs for solving PDEs, and thus does not rely on any numerical PDE solver. However, all the constraints in PINNs are soft constraints, and hence we impose hard constraints by using the penalty method and the augmented Lagrangian method. We demonstrate the effectiveness of hPINN for a holography problem in optics and a fluid problem of Stokes flow. We achieve the same objective as conventional PDE-constrained optimization methods based on adjoint methods and numerical PDE solvers, but find that the design obtained from hPINN is often simpler and smoother for problems whose solution is not unique. Moreover, the implementation of inverse design with hPINN can be easier than that of conventional methods.
Key facts. Cited by 277 papers in the map (data through 7 Oct 2026). Builds on 15 of its 65 references that are in the map. First posted on arXiv 9 Feb 2021.
Builds on
15 of 65 references.
References · 15
- 2019DeepXDE: A deep learning library for solving differential equationscited by 617
- 2019AutoML: A Survey of the State-of-the-Artcited by 388
- 2018Quantifying total uncertainty in physics-informed neural networks for solving forward and inverse stochastic problemscited by 144
- 2020A Method for Representing Periodic Functions and Enforcing Exactly Periodic Boundary Conditions with Deep Neural Networkscited by 86
- 2019Machine learning in cardiovascular flows modeling: Predicting arterial blood pressure from non-invasive 4D flow MRI data using physics-informed neural networkscited by 76
- 2019Learning in Modal Space: Solving Time-Dependent Stochastic PDEs Using Physics-Informed Neural Networkscited by 63
- 2019Generalization in Deep Networks: The Role of Distance from Initializationcited by 49
- 2020Deep neural networks for the evaluation and design of photonic devicescited by 49
- 2020PFNN: A Penalty-Free Neural Network Method for Solving a Class of Second-Order Boundary-Value Problems on Complex Geometriescited by 38
- 2017Theory of Deep Learning III: explaining the non-overfitting puzzlecited by 32
- 2020Active learning of deep surrogates for PDEs: Application to metasurface designcited by 28
- 2018A Generative Model for Inverse Design of Metamaterialscited by 27
3 more
- 2019Quantifying the generalization error in deep learning in terms of data distribution and neural network smoothnesscited by 22
- 2020Training neural networks under physical constraints using a stochastic augmented Lagrangian approachcited by 19
- 2015Computational comparison of surface metrics for PDE constrained shape optimizationcited by 1
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Citing papers per year: 2021: 20; 2022: 46; 2023: 45; 2024: 71; 2025: 55; 2026: 40.
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- 2021Characterizing possible failure modes in physics-informed neural networkscited by 632
- 2022Scientific Machine Learning through Physics-Informed Neural Networks: Where we are and What's nextcited by 603
- 2021Physics-informed neural networks (PINNs) for fluid mechanics: A reviewcited by 470
- 2022A comprehensive study of non-adaptive and residual-based adaptive sampling for physics-informed neural networkscited by 233
- 2021Gradient-enhanced physics-informed neural networks for forward and inverse PDE problemscited by 220
- 2022MIONet: Learning multiple-input operators via tensor productcited by 180
- 2022Respecting causality is all you need for training physics-informed neural networkscited by 154
- 2023An Expert's Guide to Training Physics-informed Neural Networkscited by 119
- 2024Challenges in Training PINNs: A Loss Landscape Perspectivecited by 109
- 2022Multifidelity deep neural operators for efficient learning of partial differential equations with application to fast inverse design of nanoscale heat transportcited by 92
- 2022Physics-Informed Machine Learning: A Survey on Problems, Methods and Applicationscited by 88
- 2023Tackling the Curse of Dimensionality with Physics-Informed Neural Networkscited by 78
38 more
- 2024From PINNs to PIKANs: Recent Advances in Physics-Informed Machine Learningcited by 73
- 2023Residual-based attention in physics-informed neural networkscited by 72
- 2023PINNsFormer: A Transformer-Based Framework For Physics-Informed Neural Networkscited by 62
- 2024KAN-ODEs: Kolmogorov-Arnold Network Ordinary Differential Equations for Learning Dynamical Systems and Hidden Physicscited by 58
- 2025AB-UPT: Scaling Neural CFD Surrogates for High-Fidelity Automotive Aerodynamics Simulations via Anchored-Branched Universal Physics Transformerscited by 49
- 2023Fourier-MIONet: Fourier-enhanced multiple-input neural operators for multiphase modeling of geological carbon sequestrationcited by 46
- 2021Physics-Guided Deep Learning for Dynamical Systems: A Surveycited by 43
- 2021Neural Networks with Physics-Informed Architectures and Constraints for Dynamical Systems Modelingcited by 40
- 2021Physics and Equality Constrained Artificial Neural Networks: Application to Forward and Inverse Problems with Multi-fidelity Data Fusioncited by 38
- 2021Meta-Auto-Decoder for Solving Parametric Partial Differential Equationscited by 36
- 2022Enhanced Physics-Informed Neural Networks with Augmented Lagrangian Relaxation Method (AL-PINNs)cited by 35
- 2022Implicit Neural Spatial Representations for Time-dependent PDEscited by 35
- 2022Learning differentiable solvers for systems with hard constraintscited by 34
- 2022Deep Learning Methods for Partial Differential Equations and Related Parameter Identification Problemscited by 34
- 2021SPINN: Sparse, Physics-based, and partially Interpretable Neural Networks for PDEscited by 32
- 2024Unveiling the optimization process of Physics Informed Neural Networks: How accurate and competitive can PINNs be?cited by 31
- 2024Physics-Informed Neural Networks with Hard Linear Equality Constraintscited by 30
- 2021DAE-PINN: A Physics-Informed Neural Network Model for Simulating Differential-Algebraic Equations with Application to Power Networkscited by 28
- 2021One-shot learning for solution operators of partial differential equationscited by 27
- 2024Recent Advances on Machine Learning for Computational Fluid Dynamics: A Surveycited by 27
- 2021Data vs. Physics: The Apparent Pareto Front of Physics-Informed Neural Networkscited by 26
- 2022Lagrangian PINNs: A causality-conforming solution to failure modes of physics-informed neural networkscited by 26
- 2022Partial Differential Equations Meet Deep Neural Networks: A Surveycited by 25
- 2021Fast PDE-constrained optimization via self-supervised operator learningcited by 24
- 2024Scaling physics-informed hard constraints with mixture-of-expertscited by 24
- 2022On the Role of Fixed Points of Dynamical Systems in Training Physics-Informed Neural Networkscited by 23
- 2023Hutchinson Trace Estimation for High-Dimensional and High-Order Physics-Informed Neural Networkscited by 23
- 2024Score-Based Physics-Informed Neural Networks for High-Dimensional Fokker-Planck Equationscited by 22
- 2022Scalable algorithms for physics-informed neural and graph networkscited by 21
- 2022Guiding continuous operator learning through Physics-based boundary constraintscited by 21
- 2023Deep Learning in Deterministic Computational Mechanicscited by 21
- 2023Enhancing training of physics-informed neural networks using domain-decomposition based preconditioning strategiescited by 20
- 2024Stochastic Taylor Derivative Estimator: Efficient amortization for arbitrary differential operatorscited by 20
- 2022Improved Training of Physics-Informed Neural Networks with Model Ensemblescited by 19
- 2022Physics-informed neural networks for PDE-constrained optimization and controlcited by 19
- 2022Fully probabilistic deep models for forward and inverse problems in parametric PDEscited by 19
- 2023Bias-Variance Trade-off in Physics-Informed Neural Networks with Randomized Smoothing for High-Dimensional PDEscited by 19
- 2025FunDiff: Diffusion Models over Function Spaces for Physics-Informed Generative Modelingcited by 19
50 most cited of 277 All 277 (JSON)
- 2026GAC-PINN: Geometry-Adaptive and Constraint-Enhanced Physics-Informed Neural Networks28 Sep 2026
- 2026The limits of exactness: On the failure of automatic differentiation in physics-informed machine learning27 Sep 2026
- 2026Derivative-Informed Training of Neural Operators On-the-Fly via Sketched Tangent Consistency26 Sep 2026
- 2026Deep-Learning Solvers and Surrogates for Infinity and p-Laplace Problems25 Sep 2026
- 2026Learning Physics from an Imperfect Ancestor21 Sep 2026
- 2026CG4AI: A Column Generation Framework for Training AI Models Under Constraints26 Aug 2026
- 2026Generate in the Chart, Not on the Boundary: Function-Symbol Grounding for Hard Constraints in LTN-GANs21 Aug 2026
- 2026Finite basis physics-informed neural networks with hard constraints for viscous fluid flow in highly perforated domains8 Aug 2026
- 2026Large language models for partial differential equation workflows4 Aug 2026
- 2026Verifier-Guided Model Discovery for Physical Dynamical Systems with Pretrained Symbolic Transformers1 Aug 2026
- 2026Neural Operator-enabled Topology-informed Evolutionary Strategy for PDE-Constrained Optimization8 Jul 2026
- 2026Physics-Audited Agentic Discovery in Scientific Machine Learning8 Jul 2026
38 more
- 2026Reliability-Aware Hard--Soft Physics-Informed Neural Networks for Robust Learning of Challenging Partial Differential Equations1 Jul 2026
- 2026Adaptive Hard-Soft Physics-Informed Neural Networks for Robust Boundary-Constrained PDE Solving22 Jun 2026
- 2026Advances in Scientific Machine Learning for Coupled Fluid Flow and Transport17 Jun 2026
- 2026Decoupled Latent Optimization of Diffusion Models for Full Waveform Inversion12 Jun 2026
- 2026Multi-Scale Separable Fourier Neural Networks for Solving High-Frequency PDEs29 May 2026
- 2026Unveiling Multi-regime Patterns in SciML: Distinct Failure Modes and Regime-specific Optimization27 May 2026
- 2026Mitigating Gradient Pathology in PINNs through Aligned Constraint24 May 2026
- 2026Harnessing AI for Inverse Partial Differential Equation Problems: Past, Present, and Prospects16 May 2026
- 2026AdamFLIP: Adaptive Momentum Feedback Linearization Optimization for Hard Constrained PINN Training8 May 2026
- 2026INEUS: Iterative Neural Solver for High-Dimensional PIDEs7 May 2026
- 2026Meta-Inverse Physics-Informed Neural Networks for High-Dimensional Ordinary Differential Equations5 May 2026
- 2026Variational Matrix-Learning Fourier Networks for Parametric Multiphysics Surrogates4 May 2026
- 2026Physical Foundation Models: Fixed hardware implementations of large-scale neural networks30 Apr 2026
- 2026Hybrid Quantum-Classical PINNs for Scientific Computing: A Multi-GPU Open-Source Framework17 Apr 2026
- 2026Nested Fourier-enhanced neural operator for efficient modeling of radiation transfer in fires15 Apr 2026
- 2026Physics-Informed Neural Networks for Solving Derivative-Constrained PDEs15 Apr 2026
- 2026Learning the Stellar Structure Equations via Self-supervised Physics-Informed Neural Networks6 Apr 2026
- 2026go-mHC: Direct Parameterization of Manifold-Constrained Hyper-Connections via Generalized Orthostochastic Matrices2 Apr 2026
- 2026Deflation-PINNs: Learning Multiple Solutions for PDEs and Landau-de Gennes30 Mar 2026
- 2026Stochastic Dimension Zeroth-Order Estimator: Stable and Memory-Efficient Training of PINNs25 Mar 2026
- 2026Conditional Inverse Learning of Time-Varying Reproduction Numbers Inference18 Mar 2026
- 2026From Complex Dynamics to DynFormer: Rethinking Transformers for PDEs3 Mar 2026
- 2026Enhancing Physics-Informed Neural Networks with Domain-aware Fourier Features: Towards Improved Performance and Interpretable Results3 Mar 2026
- 2026TENG-BC: Unified Time-Evolving Natural Gradient for Neural PDE Solvers with General Boundary Conditions28 Feb 2026
- 2026Statistical Learning Analysis of Physics-Informed Neural Networks11 Feb 2026
- 2026SnareNet: Flexible Repair Layers for Neural Networks with Hard Constraints10 Feb 2026
- 2026How well do generative models solve inverse problems? A benchmark study30 Jan 2026
- 2026A Single-Loop Bilevel Deep Learning Method for Optimal Control of Obstacle Problems7 Jan 2026
- 2025PI-MFM: Physics-informed multimodal foundation model for solving partial differential equations28 Dec 2025
- 2025Intrinsic-Metric Physics-Informed Neural Networks (IM-PINN) for Reaction-Diffusion Dynamics on Complex Riemannian Manifolds26 Dec 2025
- 2025Boundary condition enforcement with PINNs: a comparative study and verification on 3D geometries16 Dec 2025
- 2025Physics Enhanced Deep Surrogates for the Phonon Boltzmann Transport Equation25 Nov 2025
- 2025Guaranteeing Conservation of Integrals with Projection in Physics-Informed Neural Networks12 Nov 2025
- 2025AgenticSciML: Collaborative Multi-Agent Systems for Emergent Discovery in Scientific Machine Learning10 Nov 2025
- 2025Enforcing boundary conditions for physics-informed neural operators28 Oct 2025
- 2025Trace Regularity PINNs: Enforcing H^frac12(partial Omega) for Boundary Data19 Oct 2025
- 2025Deep Neural ODE Operator Networks for PDEs17 Oct 2025
- 2025A Complement to Neural Networks for Anisotropic Inelasticity at Finite Strains5 Oct 2025
50 newest of 277 All 277 (JSON)
- 2025FunDiff: Diffusion Models over Function Spaces for Physics-Informed Generative Modelingcited by 19
- 2025RED-DiffEq: Regularization by denoising diffusion models for solving inverse PDE problems with application to full waveform inversioncited by 5
- 2026How well do generative models solve inverse problems? A benchmark studycited by 2
- 2026Decoupled Latent Optimization of Diffusion Models for Full Waveform Inversioncited by 2
- 2026Decoupled Latent Optimization of Diffusion Models for Full Waveform Inversion12 Jun 2026
- 2026How well do generative models solve inverse problems? A benchmark study30 Jan 2026
- 2025RED-DiffEq: Regularization by denoising diffusion models for solving inverse PDE problems with application to full waveform inversion25 Sep 2025
- 2025FunDiff: Diffusion Models over Function Spaces for Physics-Informed Generative Modeling9 Jun 2025
- 2021Characterizing possible failure modes in physics-informed neural networkscited by 632
- 2022Scientific Machine Learning through Physics-Informed Neural Networks: Where we are and What's nextcited by 603
- 2021Physics-informed neural networks (PINNs) for fluid mechanics: A reviewcited by 470
- 2022A comprehensive study of non-adaptive and residual-based adaptive sampling for physics-informed neural networkscited by 233
- 2021Gradient-enhanced physics-informed neural networks for forward and inverse PDE problemscited by 220
- 2022MIONet: Learning multiple-input operators via tensor productcited by 180
- 2022Respecting causality is all you need for training physics-informed neural networkscited by 154
- 2023An Expert's Guide to Training Physics-informed Neural Networkscited by 119
- 2024Challenges in Training PINNs: A Loss Landscape Perspectivecited by 109
- 2022Multifidelity deep neural operators for efficient learning of partial differential equations with application to fast inverse design of nanoscale heat transportcited by 92
- 2022Physics-Informed Machine Learning: A Survey on Problems, Methods and Applicationscited by 88
- 2023Tackling the Curse of Dimensionality with Physics-Informed Neural Networkscited by 78
12 most cited of 271 All 271 (JSON)
- 2026GAC-PINN: Geometry-Adaptive and Constraint-Enhanced Physics-Informed Neural Networks28 Sep 2026
- 2026The limits of exactness: On the failure of automatic differentiation in physics-informed machine learning27 Sep 2026
- 2026Derivative-Informed Training of Neural Operators On-the-Fly via Sketched Tangent Consistency26 Sep 2026
- 2026Deep-Learning Solvers and Surrogates for Infinity and p-Laplace Problems25 Sep 2026
- 2026Learning Physics from an Imperfect Ancestor21 Sep 2026
- 2026CG4AI: A Column Generation Framework for Training AI Models Under Constraints26 Aug 2026
- 2026Generate in the Chart, Not on the Boundary: Function-Symbol Grounding for Hard Constraints in LTN-GANs21 Aug 2026
- 2026Finite basis physics-informed neural networks with hard constraints for viscous fluid flow in highly perforated domains8 Aug 2026
- 2026Large language models for partial differential equation workflows4 Aug 2026
- 2026Verifier-Guided Model Discovery for Physical Dynamical Systems with Pretrained Symbolic Transformers1 Aug 2026
- 2026Neural Operator-enabled Topology-informed Evolutionary Strategy for PDE-Constrained Optimization8 Jul 2026
- 2026Reliability-Aware Hard--Soft Physics-Informed Neural Networks for Robust Learning of Challenging Partial Differential Equations1 Jul 2026
12 newest of 271 All 271 (JSON)