PDE Inverse Problems

Porous materials -- natural or engineered -- often exhibit dual pore-network structures that govern processes such as mineral exploration and hydrocarbon recovery from tight shales. Double porosity/permeability (DPP) mathematical models describe incompressible fluid flow through two interacting pore networks with inter-network mass exchange. Despite significant advances in numerical methods, there remains a need for computational frameworks that enable rapid forecasting, data assimilation, and reliable inverse analysis. To address this, we present a physics-informed neural network (PINN) framework for forward and inverse modeling of DPP systems. The proposed approach encodes the governing equations in mixed form, along with boundary conditions, directly into the loss function, with adaptive weighting strategies to balance their contributions. Key features of the framework include adaptive weight tuning, dynamic collocation point selection, and the use of shared trunk neural architectures to efficiently capture the coupled behavior of the dual pore networks. It is inherently mesh-free, making it well-suited for complex geometries typical of porous media. It accurately captures discontinuities in solution fields across layered domains without introducing spurious oscillations commonly observed in classical finite element formulations. Importantly, the framework is well-suited for inverse analysis, enabling robust parameter identification in scenarios where key physical quantities -- such as the mass transfer coefficient in DPP models -- are difficult to measure directly. In addition, a systematic convergence analysis is provided to rigorously assess the stability, accuracy, and reliability of the method. The effectiveness and computational advantages of the approach are demonstrated through a series of representative numerical experiments.

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.

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.

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.

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.

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

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 $\boldsymbol{x}_t$ at intermediate steps, making it infeasible to directly enforce constraints on the clean sample $\boldsymbol{x}_0$ at each noisy level. As a workaround, constraints are typically applied to the expectation of clean samples $\mathbb{E}[\boldsymbol{x}_0|\boldsymbol{x}_t]$, 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.

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.