PDE Inverse Problems

PDE: Partial Differential Equation

Overview

PDE inverse problems use measured data—often sparse or noisy—to infer unknown coefficients, initial or boundary conditions, sources, or entire physical fields. Classical approaches include regularization, adjoint-based optimization, and Bayesian sampling; newer methods use physics-informed neural networks, neural operators, differentiable solvers, and generative models such as diffusion and flow matching. A central challenge is ill-posedness: a method may reconstruct the observed field well while failing to identify the true parameters or quantify uncertainty reliably. Current work seeks more scalable posterior inference and stronger evaluation of identifiability, robustness to changing observations, and whether predictions support scientific conclusions.

Latest papers

107 papers17 papers in the last four weeks, up 55% on the four weeks before. 0.1% of all new papers.

Mar 4, 2026

Hierarchical Inference and Closure Learning via Adaptive Surrogates for ODEs and PDEs

Inverse problems are the task of calibrating models to match data. They play a pivotal role in diverse engineering applications by allowing practitioners to align models with reality. In many applications, engineers and scientists do not have a complete picture of i) the detailed properties of a system (such as material properties, geometry, initial conditions, etc.); ii) the complete laws describing all dynamics at play (such as friction laws, complicated damping phenomena, and general nonlinear interactions). In this paper, we develop a principled methodology for leveraging data from collections of distinct yet related physical systems to jointly estimate the individual model parameters of each system, and learn the shared unknown dynamics in the form of an ML-based closure model. To robustly infer the unknown parameters for each system, we employ a hierarchical Bayesian framework, which allows for the joint inference of multiple systems and their population-level statistics. To learn the closures, we use a maximum marginal likelihood estimate of a neural network embeded within the ODE/PDE formulation of the problem. To realize this framework we utilize the ensemble Metropolis-Adjusted Langevin Algorithm (MALA) for stable and efficient sampling. To mitigate the computational bottleneck of repetitive forward evaluations in solving inverse problems, we introduce a bilevel optimization strategy to simultaneously train a surrogate forward model alongside the inference. Within this framework, we evaluate and compare distinct surrogate architectures, specifically Fourier Neural Operators (FNO) and parametric Physics-Informed Neural Network (PINNs).
Mar 2, 2026

Solving Inverse PDE Problems using Minimization Methods and AI

Many physical and engineering systems require solving direct problems to predict behavior and inverse problems to determine unknown parameters from measurement. In this work, we study both aspects for systems governed by differential equations, contrasting well-established numerical methods with new AI-based techniques, specifically Physics-Informed Neural Networks (PINNs). We first analyze the logistic differential equation, using its closed-form solution to verify numerical schemes and validate PINN performance. We then address the Porous Medium Equation (PME), a nonlinear partial differential equation with no general closed-form solution, building strong solvers of the direct problem and testing techniques for parameter estimation in the inverse problem. Our results suggest that PINNs can closely estimate solutions at competitive computational cost, and thus propose an effective tool for solving both direct and inverse problems for complex systems.
Feb 28, 2026

Dual-space posterior sampling for Bayesian inference in constrained inverse problems

Inverse problems constrained by partial differential equations are often ill-conditioned due to noisy, incomplete data or inherent non-uniqueness. A prominent example is full waveform inversion (FWI), which estimates Earth's subsurface properties by fitting seismic measurements subject to the wave equation, where ill-conditioning stems from noisy, band-limited, finite-aperture measurements and complex geological structures. A Bayesian framework describes the solution more comprehensively: instead of a single estimate, a posterior distribution of plausible solutions characterizes the non-uniqueness and can be sampled to quantify uncertainty. However, no clear procedure exists for translating hard physical constraints, such as the wave equation, into priors amenable to existing sampling techniques. We address this by sampling the posterior in the dual space via an augmented Lagrangian formulation, which converts hard constraints into penalties suited to sampling algorithms while enforcing them progressively through multiplier updates, so they are satisfied in the limit. We integrate the alternating direction method of multipliers (ADMM) with Stein variational gradient descent (SVGD), a particle-based sampler: the constraint is relaxed at each iteration and the multiplier updates progressively enforce its satisfaction. This enables posterior sampling under hard constraints while inheriting the favorable conditioning of dual-space solvers, where partial constraint relaxation permits productive updates even when the current model is far from the true solution. We validate the method on a stylized Rosenbrock conditional inference problem and on frequency-domain FWI for a Gaussian anomaly model and the Marmousi II benchmark, demonstrating physically consistent uncertainty estimates and posterior contraction with increasing data coverage.
Feb 27, 2026

A Stability-Aware Frozen Euler Autoencoder for Physics-Informed Tracking in Continuum Mechanics (SAFE-PIT-CM)

Material parameters such as thermal diffusivity govern how microstructural fields evolve during processing, but difficult to measure directly. The Stability-Aware Frozen Euler Physics-Informed Tracking for Continuum Mechanics (SAFE-PIT-CM), is an autoencoder that embeds a frozen convolutional layer as a differentiable PDE solver in its latent-space transition to jointly recover diffusion coefficients and the underlying physical field from temporal observations. When temporal snapshots are saved at intervals coarser than the simulation time step, a single forward Euler step violates the von Neumann stability condition, forcing the learned coefficient to collapse to an unphysical value. Sub-stepping with SAFE restores stability at negligible cost each sub-step is a single frozen convolution, far cheaper than processing more frames with recovery error converging monotonically with substep count. Validated on thermal diffusion in metals, the method recovers both the diffusion coefficient and the physical field with near-perfect accuracy, both with and yet without pre-training. Backpropagation through the frozen operator supervises an attention-based parameter estimator without labelled data. The architecture generalises to any PDE with a convolutional finite-difference discretisation.
Feb 24, 2026

Conditional neural control variates for variance reduction in Bayesian inverse problems

Bayesian inference for inverse problems involves computing expectations under posterior distributions--e.g., posterior means, variances, or predictive quantities--typically via Monte Carlo (MC) estimation. When the quantity of interest varies significantly under the posterior, accurate estimates demand many samples--a cost often prohibitive for partial differential equation-constrained problems. To address this challenge, we introduce conditional neural control variates, a modular method that learns amortized control variates from joint model-data samples to reduce the variance of MC estimators. To scale to high-dimensional problems, we leverage Stein's identity to design an architecture based on an ensemble of hierarchical coupling layers with tractable Jacobian trace computation. Training requires: (i) samples from the joint distribution of unknown parameters and observed data; and (ii) the posterior score function, which can be computed from physics-based likelihood evaluations, neural operator surrogates, or learned generative models such as conditional normalizing flows. Once trained, the control variates generalize across observations without retraining. We validate our approach on stylized and partial differential equation-constrained Darcy flow inverse problems, outperforming classical Stein control variates and achieving substantial variance reduction, even when the analytical score is replaced by a learned surrogate.
Feb 23, 2026

Unlearning Noise in PINNs: A Selective Pruning Framework for PDE Inverse Problems

Physics-informed neural networks (PINNs) provide a promising framework for solving inverse problems governed by partial differential equations (PDEs) by integrating observational data and physical constraints in a unified optimization objective. However, the ill-posed nature of PDE inverse problems makes them highly sensitive to noise. Even a small fraction of corrupted observations can distort internal neural representations, severely impairing accuracy and destabilizing training. Motivated by recent advances in machine unlearning and structured network pruning, we propose P-PINN, a selective pruning framework designed to unlearn the influence of corrupted data in a pretrained PINN. Specifically, starting from a PINN trained on the full dataset, P-PINN evaluates a joint residual--data fidelity indicator, a weighted combination of data misfit and PDE residuals, to partition the training set into reliable and corrupted subsets. Next, we introduce a bias-based neuron importance measure that quantifies directional activation discrepancies between the two subsets, identifying neurons whose representations are predominantly driven by corrupted samples. Building on this, an iterative pruning strategy then removes noise-sensitive neurons layer by layer. The resulting pruned network is fine-tuned on the reliable data subject to the original PDE constraints, acting as a lightweight post-processing stage rather than a complete retraining. Numerical experiments on extensive PDE inverse-problem benchmarks demonstrate that P-PINN substantially improves robustness, accuracy, and training stability under noisy conditions, achieving up to a 96.6% reduction in relative error compared with baseline PINNs. These results indicate that activation-level post hoc pruning is a promising mechanism for enhancing the reliability of physics-informed learning in noise-contaminated settings.
Feb 17, 2026

Symbolic recovery of PDEs from measurement data

Models based on partial differential equations (PDEs) are powerful for describing a wide range of complex phenomena in the natural sciences. Accurately identifying the PDE model, which represents the underlying physical law, is essential for a proper understanding of the problem. This reconstruction typically relies on indirect and noisy measurements of the system's state and, without specifically tailored methods, rarely yields symbolic expressions, thereby limiting interpretability. In this work, we address this limitation by considering neural network architectures based on rational functions for the symbolic representation of physical laws. These networks combine the approximation power of rational functions with the flexibility to represent arithmetic operations, and generalize ParFam and EQL-type architectures used in symbolic regression for physical law learning. We further establish regularity results for these symbolic networks. Our main contribution is a reconstruction result showing that, if there exists an admissible physical law that is expressible within the symbolic network architecture, then in the limit of noiseless and complete measurements, symbolic networks recover a physical law within the PDE model that is representable by the architecture. Moreover, the recovered law corresponds to a regularization-minimizing parameterization, promoting interpretability and sparsity in case of L1L^1-regularization. Under an additional identifiability condition, the unique true physical law is recovered. These reconstruction and regularity results are derived at the continuous level prior to discretization due to a formulation in function space. Empirical results using the ParFam architecture are consistent with the theoretical findings and suggest the feasibility of reconstructing interpretable physical laws in practice.
Feb 16, 2026

Solving Inverse Parametrized Problems via Finite Elements and Extreme Learning Networks

We develop an interpolation-based modeling framework for parameter-dependent partial differential equations arising in control, inverse problems, and uncertainty quantification. The solution is discretized in the physical domain using finite element methods, while the dependence on a finite-dimensional parameter is approximated separately. We establish existence, uniqueness, and regularity of the parametric solution and derive rigorous error estimates that explicitly quantify the interplay between spatial discretization and parameter approximation. In low-dimensional parameter spaces, classical interpolation schemes yield algebraic convergence rates based on Sobolev regularity in the parameter variable. In higher-dimensional parameter spaces, we replace classical interpolation by extreme learning machine (ELM) surrogates and obtain error bounds under explicit approximation and stability assumptions. The proposed framework is applied to inverse problems in quantitative photoacoustic tomography, where we derive potential and parameter reconstruction error estimates and demonstrate substantial computational savings compared to standard approaches, without sacrificing accuracy.
Feb 16, 2026

GenPANIS: A Latent-Variable Generative Framework for Forward and Inverse PDE Problems in Multiphase Media

Inverse problems and inverse design in multiphase media, i.e., recovering or engineering microstructures to achieve target macroscopic responses, require operating on discrete-valued material fields, rendering the problem non-differentiable and incompatible with gradient-based methods. Existing approaches either relax to continuous approximations, compromising physical fidelity, or employ separate heavyweight models for forward and inverse tasks. We propose GenPANIS, a unified generative framework that preserves exact discrete microstructures while enabling gradient-based inference through continuous latent embeddings. The model learns a joint distribution over microstructures and PDE solutions, supporting bidirectional inference (forward prediction and inverse recovery) within a single architecture. The generative formulation enables training with unlabeled data, physics residuals, and minimal labeled pairs. A physics-aware decoder incorporating a differentiable coarse-grained PDE solver preserves governing equation structure, enabling extrapolation to varying boundary conditions and microstructural statistics. A learnable normalizing flow prior captures complex posterior structure for inverse problems. Demonstrated on Darcy flow and Helmholtz equations, GenPANIS maintains accuracy on challenging extrapolative scenarios - including unseen boundary conditions, volume fractions, and microstructural morphologies, with sparse, noisy observations. It outperforms state-of-the-art methods while using 10 - 100 times fewer parameters and providing principled uncertainty quantification.
Feb 13, 2026

Learning functional components of PDEs from data using neural networks

Partial differential equation (PDE) models frequently contain unknown functional terms that cannot be measured directly, limiting their predictive utility. While data-driven methods for estimating scalar PDE parameters are well established, the recovery of unknown functions remains comparatively underexplored. Here, we show that standard parameter estimation workflows can be extended to infer functional components of PDEs directly from data. Our approach embeds neural networks within the PDE framework, allowing unknown functions to be learned during training with high accuracy. Using nonlocal aggregation-diffusion equations as a case study, we infer interaction kernels and external potentials from steady-state observations. We systematically examine how reconstruction accuracy depends on factors such as the number and diversity of available solutions, sampling density, and measurement noise. The resulting framework retains the advantages of conventional PDE calibration approaches while extending them to functional inference: once trained, the PDE model can be used in the standard way to analyse system behaviour and generate predictions.
Dec 4, 2025

Efficient Generative Transformer Operators For Million-Point PDEs

We introduce ECHO, a transformer-operator framework for generating million-point PDE trajectories. While existing neural operators (NOs) have shown promise for solving partial differential equations, they remain limited in practice due to poor scalability on dense grids, error accumulation during dynamic unrolling, and task-specific design. ECHO addresses these challenges through three key innovations. (i) It employs a hierarchical convolutional encode-decode architecture that achieves a 100 ×\times spatio-temporal compression while preserving fidelity on mesh points. (ii) It incorporates a training and adaptation strategy that enables high-resolution PDE solution generation from sparse input grids. (iii) It adopts a generative modeling paradigm that learns complete trajectory segments, mitigating long-horizon error drift. The training strategy decouples representation learning from downstream task supervision, allowing the model to tackle multiple tasks such as trajectory generation, forward and inverse problems, and interpolation. The generative model further supports both conditional and unconditional generation. We demonstrate state-of-the-art performance on million-point simulations across diverse PDE systems featuring complex geometries, high-frequency dynamics, and long-term horizons.
Oct 16, 2025

Inverse Problem for Partial Differential Equations with Jump Discontinuities in Coefficients by Two-stage Physics-Informed Deep Learning and Statistical Mixture Models

This work proposes a two-stage physics-informed deep learning framework that combines neural-network-based sampling with statistical inference and constrained parameter refinement. In the first stage, a dual-network physics-informed architecture is used, where a main-network approximates the PDE solution and an auxiliary coefficient sub-network provides a relaxed continuous soft approximation of the true discontinuous coefficient field. A gradient-adaptive weighting strategy is incorporated to improve residual training and enhance sampling reliability near possible discontinuity regions. The sampled coefficient values are then analyzed using Bayesian learning for Gaussian mixture models and birth-death Markov chain model selection, which identify the number of coefficient regimes and provide candidate intervals for coefficient values and transition regions. In the second stage, the inverse problem is reformulated as a constrained physics-informed estimator, in which the coefficient is replaced by a form-consistent hard approximation explicitly represented as a piecewise-constant function over the spatiotemporal domain. Comprehensive numerical experiments on PDEs with jump-discontinuous coefficients demonstrate that the proposed framework achieves adaptability and accurate parameter identification with acceptable computational costs compared to existing methods. Applications to solution reconstruction further illustrate its practical potential. This work provides a generalizable computational approach for inverse problems governed by PDEs with discontinuous parameter structures, particularly in non-stationary and heterogeneous systems.
Aug 5, 2025

Physics-Constrained Fine-Tuning of Flow-Matching Models for Generation and Inverse Problems

We present a framework for fine-tuning flow-matching generative models to enforce physical constraints and solve inverse problems in scientific systems. Starting from a model trained on low-fidelity or observational data, we apply a differentiable post-training procedure that minimizes weak-form residuals of governing partial differential equations (PDEs), promoting physical consistency and adherence to boundary conditions without distorting the underlying learned distribution. To infer unknown physical inputs, such as source terms, material parameters, or boundary data, we augment the generative process with a learnable latent parameter predictor and propose a joint optimization strategy. The resulting model produces physically valid field solutions alongside plausible estimates of hidden parameters, effectively addressing ill-posed inverse problems in a data-driven yet physicsaware manner. We validate our method on canonical PDE benchmarks, demonstrating improved satisfaction of PDE constraints and accurate recovery of latent coefficients. Our approach bridges generative modelling and scientific inference, opening new avenues for simulation-augmented discovery and data-efficient modelling of physical systems.
Jun 25, 2025

Counterfactual Operator Relevance for PDE Discovery: Screening, Pruning, and Identifiability

We study operator relevance in data-driven partial differential equation (PDE) discovery. Sparse residual methods can select terms that improve residual fit, but residual contribution is not the same as functional necessity. We formalize this distinction through counterfactual operator interventions, where a candidate term is deleted or perturbed and the factual and intervened trajectories, or observables, are compared. The resulting theory gives six reusable results. A residual--counterfactual gap theorem shows that deletion effects are governed by the inverse linearized PDE map, not by residual magnitude alone. A certified decision theorem gives error margins for relevance, irrelevance, and abstention under neural or numerical surrogate error. An aliasing theorem characterizes experiment-dependent non-identifiability through the null space of the operator-evaluation design. A constraint-manifold theorem shows that operators vanishing on invariant constraint classes cannot be identified from trajectories restricted to those classes. A pruning-consistency theorem proves that sparse screening followed by counterfactual deletion recovers the functionally relevant support under a recall and margin condition. An observable-level adjoint theorem extends relevance testing from full-state deviations to scientific quantities of interest. Validation experiments test these mechanisms on synthetic PDEs with known support and on public geophysical fields from atmospheric reanalysis and NOAA OISST. The real-data results are reported as operator-surrogate diagnostics, not as unconditional recovery of physical laws. The framework provides a rigorous diagnostic layer for distinguishing residual usefulness from counterfactual operator relevance within a specified library, experiment class, norm, and tolerance.
May 29, 2025

EquiReg: Equivariance Regularized Diffusion for Inverse Problems

Diffusion models represent the state-of-the-art for solving inverse problems such as image restoration tasks. Diffusion-based inverse solvers incorporate a likelihood term to guide prior sampling, generating data consistent with the posterior distribution. However, due to the intractability of the likelihood, most methods rely on isotropic Gaussian approximations, which can push estimates off the data manifold and produce inconsistent, poor reconstructions. We propose Equivariance Regularized (EquiReg) diffusion, a general plug-in framework that improves posterior sampling by penalizing trajectories that deviate from the data manifold. EquiReg formalizes manifold-preferential equivariant functions that exhibit low equivariance error for on-manifold samples and high error for off-manifold ones, thereby guiding sampling toward symmetry-preserving regions of the solution space. We highlight that such functions naturally emerge when training non-equivariant models with augmentation or on data with symmetries. EquiReg's largest gains are under reduced sampling and measurement consistency steps, where many methods suffer severe quality degradation. By regularizing trajectories toward the manifold, EquiReg implicitly accelerates convergence and enables high-quality reconstructions. EquiReg consistently improves performance in linear and nonlinear image restoration tasks and solving partial differential equations. Our code is available at https://github.com/Anima-Lab/EquiReg
May 28, 2025

Physics-Informed Distillation of Diffusion Models for PDE-Constrained Generation

Modeling physical systems in a generative manner offers several advantages, including the ability to handle partial observations, generate diverse solutions, and address both forward and inverse problems. Recently, diffusion models have gained increasing attention in the modeling of physical systems, particularly those governed by partial differential equations (PDEs). However, diffusion models only access noisy data xt\boldsymbol{x}_t at intermediate steps, making it infeasible to directly enforce constraints on the clean sample x0\boldsymbol{x}_0 at each noisy level. As a workaround, constraints are typically applied to the expectation of clean samples E[x0∣xt]\mathbb{E}[\boldsymbol{x}_0|\boldsymbol{x}_t], which is estimated using the learned score network. However, imposing PDE constraints on the expectation does not strictly represent the one on the true clean data, known as Jensen's Gap. This gap creates a trade-off: enforcing PDE constraints may come at the cost of reduced accuracy in generative modeling. To address this, we propose a simple yet effective post-hoc distillation approach, where PDE constraints are not injected directly into the diffusion process, but instead enforced during a post-hoc distillation stage. We term our method as Physics-Informed Distillation of Diffusion Models (PIDDM). This distillation not only facilitates single-step generation with improved PDE satisfaction, but also support both forward and inverse problem solving and reconstruction from randomly partial observation. Extensive experiments across various PDE benchmarks demonstrate that PIDDM significantly improves PDE satisfaction over several recent and competitive baselines, such as PIDM, DiffusionPDE, and ECI-sampling, with less computation overhead. Our approach can shed light on more efficient and effective strategies for incorporating physical constraints into diffusion models.
May 1, 2025

Gaussian process policy iteration with additive Schwarz acceleration for forward and inverse HJB and mean field game problems

In this paper, we propose a Gaussian Process (GP)-based policy iteration framework for addressing both forward and inverse problems in Hamilton--Jacobi--Bellman (HJB) equations and mean field games (MFGs). Policy iteration is formulated as an alternating procedure between evaluating the value function under a fixed control policy and improving the policy. In our approach, we model the unknown fields using GPs within a policy-iteration framework that converts the nonlinear system into a sequence of linear PDE subproblems. Then, leveraging the linear structure, the updates for the value function and, in the MFG setting, the population density admit explicit representer formulas under linear PDE collocation constraints. The policy is subsequently updated pointwise via a Legendre transform step, which involves a low-dimensional maximization over the control variable. This maximization is explicit for standard quadratic costs. For smooth, strictly convex costs, this pointwise maximization is solved through its first-order optimality condition, whereas in constrained or non-smooth cases, it becomes a low-dimensional constrained maximization problem. To improve convergence, we incorporate the additive Schwarz acceleration as a preconditioning step following each policy update. Numerical experiments demonstrate the effectiveness of the Schwarz acceleration in improving computational efficiency.