PDE Inverse Problems

Isogeometric analysis (IGA) solves partial differential equations accurately on exact NURBS geometry, whereas neural solvers are mesh-free but often orders of magnitude less accurate and typically trained by non-convex optimization without error control. We propose IGA-KAN, which uses local Kolmogorov-Arnold networks, fitted in closed form, to improve the IGA solution instead of replacing it. An IGA Galerkin solve produces u_h; on every knot-vertex patch a Kolmogorov-Arnold ridge model is fitted to the strong form of the equation, the exact boundary data and u_h, and the models are blended by IGA hat functions. With fixed inner functions the fit is one batched linear least-squares problem, without optimizer, learning rate or initialization. An a posteriori safeguard, motivated by a maximum-principle bound, decides where local models are used, keeping the IGA solution elsewhere. On eight benchmarks with exact solutions, five from the literature and one also posed on a domain fitted to a brain slice from MRI, the method reduces the error of IGA, at an unchanged number of Galerkin unknowns, by factors of 4.2 to 90 in L^2 and 4.1 to 220 in H^1 on the reference meshes, and its L^2 error is 6 to 6x10^4 times smaller than that of the best Kolmogorov-Arnold network trained from scratch on the same equations with a fixed budget. In an inverse problem it recovers an unknown constant source from one noise-free observation 167 times more accurately than IGA. The gain is attributed to the superconvergence of local averages of the Galerkin solution.

Partial differential equation (PDE) inverse problems are often ill-posed, making fine-scale details difficult to recover. We address this problem by introducing a learned observation-complementary latent representation that preserves reconstruction-relevant information and is combined with the observation to reconstruct the unknown field. Building on this representation, we propose OCL-PDE, a generative framework that encourages the observation to guide large-scale structure and the latent to supply complementary fine-scale details. OCL-PDE is built on a physics-aware autoencoder (AE) and conditional Flow Matching, supporting inverse reconstruction as well as forward PDE prediction. Experiments demonstrate improved reconstruction accuracy and fine-detail recovery compared with the evaluated baselines.

Given incomplete measurements of a single physical field in a coupled system with unknown parameters, can we infer its full physical state and identify the underlying parameters? This problem is challenging because multiple coupled fields must be reconstructed simultaneously from limited observations of only one, while the system parameters are unknown. In this work, we propose a machine learning framework for full-field reconstruction and parameter identification of unknown physical systems from sparse observations of a single physical field. Specifically, the cross-attention encoder propagates sparse sensor observations onto a regular grid to construct a sensor-conditioned latent representation, while a Fourier neural operator (FNO) decoder captures global spatial dependencies to reconstruct all coupled physical fields. The network parameters and unknown physical parameters are jointly optimized by minimizing observation losses, governing equation residuals, and boundary/initial condition constraints. The proposed approach is validated on two- and three-dimensional lid-driven cavity flows, a two-dimensional cylinder wake, and a two-dimensional non-ideal magnetohydrodynamics problem, demonstrating the recovery performance of unobserved fields and physical parameters from incomplete observations.

Ensemble guidance combines pretrained diffusion priors with black-box forward models to solve inverse problems without differentiating through the physical simulator. However, observation coordinates with large predictive spread or extreme residuals can dominate the ensemble correction, degrading reconstruction accuracy. We show that two simple modifications, weighting and clipping, substantially improve this correction. Our method, Robust Ensemble Guidance (REG), uses ensemble predictive spread to balance observation scales and adaptively clips standardized residuals to limit the influence of extreme discrepancies. Both operations reuse existing particles and forward predictions, requiring no additional denoiser or forward-model evaluations. Under a local linear Gaussian model, we derive conditions for reduced one-step estimation risk, bound the influence of individual observation coordinates, and characterize when these benefits persist with finite ensembles. Experiments on Navier-Stokes inversion, black-hole imaging, and acoustic full-waveform inversion demonstrate improved reconstruction over the underlying ensemble solver. In particular, REG increases black-hole reconstruction PSNR by 6.2-8.2 dB across three observation regimes and reduces Navier-Stokes reconstruction error by 26.4% in a matched-budget comparison. These findings highlight the importance of observation heterogeneity and residual influence in designing reliable generative solvers for scientific inverse problems.

Generating and predicting spatiotemporal physical fields from scarce measurements is challenging, as observations are insufficient to characterize a distribution over complete fields. This limits conventional data-driven diffusion models that rely on full-field datasets. We introduce PhysDEM, a physics-defined diffusion framework that combines governing equations with spatially sparse observations to generate multiple plausible fields. First, we construct a Gibbs target by reweighting a measurement-conditioned Gaussian reference with PDE residual energy. Second, we derive an exact conditional-mean identity that reduces denoising to supervised learning of the standardized energy-induced mean correction. Third, a physics-displacement probability flow cancels Gaussian reference terms and enables amortized sampling with changing measurements through Gaussian conditioning, without retraining. Experiments on synthetic PDE systems and real-world-informed applications demonstrate that PhysDEM supports coherent field recovery and efficient sampling while maintaining stable diagnostics under tested noise levels, illustrating its practical value for field assessment. To our knowledge, PhysDEM is the first physics-defined diffusion model enabling amortized spatiotemporal field inference without preassembled full-field datasets.

Photoacoustic tomography (PAT) is a hybrid imaging modality that combines high optical contrast with high ultrasonic resolution for biomedical imaging applications. In this work, we investigate the inverse problem of recovering the initial pressure distribution from boundary measurements in the presence of nonlinear acoustic propagation and viscous attenuation effects. To model these phenomena more accurately, we consider a nonlinear damped viscoelastic wave equation incorporating spatially varying sound speed, temporal attenuation, and nonlinear propagation mechanisms. We first establish the well-posedness of the corresponding forward problem using a Galerkin approximation combined with energy estimates and a fixed-point argument. For the inverse problem, we derive existence, uniqueness, and local uniqueness results under suitable assumptions through a harmonic extension reduction, spectral Laplace transform techniques, and observability estimates. To numerically reconstruct the initial pressure field, we develop a hybrid reconstruction framework that combines a convolutional neural network (CNN) with a gradient-free optimization strategy based on the sequential quadratic Hamiltonian (SQH) method derived from Pontryagin's maximum principle. The CNN is used to generate an informative initial guess, while the SQH framework enforces the governing PDE dynamics during the reconstruction process. Numerical experiments demonstrate that the proposed hybrid strategy significantly improves reconstruction quality, contrast, and robustness compared to standalone time-reversal and CNN-based approaches.

Recovering complete physical fields from sparse observations is challenging because the measurements may not uniquely determine the underlying state. Diffusion-based PDE solvers address this problem through iterative sampling whereas neural operators provide deterministic one-pass predictions. We propose SCOPE (Sparse-Context Observability-aware Predictive Embeddings) to recover complete PDE fields from sparse observations by coupling full-field latent prediction with physical reconstruction. A shared decoder reconstructs fields from both predicted and complete-view representations so that representation learning is guided by both physical recovery and latent matching. We derive a quadratic risk decomposition at fixed teacher-decoder pairs showing why optimal latent prediction need not yield optimal field reconstruction. We also establish sufficient conditions for decoder improvements on complete inputs to transfer to recovery from partial observations. Experiments across five PDE settings show that SCOPE outperforms mask-aware neural operators on all ten forward and inverse tasks and achieves lower errors than those reported for diffusion-based solvers including DiffusionPDE and FunDPS. Decoder-only adaptation further improves recovery without retraining the backbone while retaining deterministic single-pass inference.

Physical-field reconstruction and forecasting depend on both measurement density and spatial layout, yet evaluation under a single observation pattern does not characterize performance when that pattern changes. We introduce PDE-OBS, an integrated benchmarking platform spanning numerical data generation, model training, and inference and evaluation under varying observation conditions. It combines 560,000 fields and trajectories from seven partial differential equation families with configurable observation operators and seven adapted baseline methods for stationary reconstruction and short-horizon forecasting. Separating observation construction from physical records allows users to specify parameterized patterns and deterministic mixtures for training and testing while preserving prediction targets and data splits. The evaluation protocol uses references trained for each test pattern to compare models on identical test observations and targets, alongside equal-count groups for spatial-layout comparisons. On a 14,000-record subset, we evaluate 441 trained models under nine test patterns, yielding 3,969 evaluations. Mean cross-pattern error exceeds mean matched-pattern error in all 49 PDE-method pairs, and this finding persists in a configuration-matched subset of 117 models. Denser test observations do not consistently reduce error for a fixed model. Mixed-pattern training on five completed pairs reduces large single-pattern transfer errors, although destination-trained references usually remain more accurate. Together, the benchmark and findings support systematic evaluation of observation-pattern sensitivity and provide a reusable workflow for developing methods under changing measurement conditions. Code: https://github.com/ru1ch3n/PDE-OBS.

Inferring dynamics from snapshots of evolving distributions is fundamentally underdetermined: the Fokker-Planck equation constrains the drift $F$ only through its score-weighted divergence $\nabla\cdot F+F\cdot\nabla\logρ$, leaving a $ρ$-solenoidal gauge invisible to any single-time constraint. Time-indexed transport formulations cannot resolve this ambiguity: every admissible marginal path admits a curl-free explanation, minimum-action reconstruction selects it, and marginal fit alone cannot distinguish dynamically inequivalent explanations. Requiring one autonomous field to explain several marginals instead makes part of the hidden circulation visible as $\nabla\logρ$ changes across marginals. Separating instantaneous Fokker-Planck source constraints from the snapshot experiment, we show that the source constraints identify the field modulo the kernel of a stacked score-weighted divergence operator. For generic Gaussian shape variation, source constraints at $K\ge m$ time points in intrinsic dimension $m$ eliminate every polynomial gauge direction, whereas finitely many density snapshots alone admit aliasing; we give the obstruction explicitly. At a Gaussian anchor, for Sobolev smoothness $s$ and $n$ samples per time point, we derive a conditional lower rate $(nK)^{-2s/(2s+m+1)}$ for the tangent snapshot experiment, with a matching upper rate in a degreewise benchmark. Strong-form fitting is non-orthogonal to score error and cannot be repaired by spectral filtering. Instead, we estimate using smooth test functions while retaining the known diffusion term, and derive a finite-sample bound that separates sampling error from fixed-grid quadrature bias. Planted-circulation experiments confirm the predicted gauge contraction and expose a design tension between cross-slice information and covariance-aware whitening.

Recovering hidden transport mechanisms from sparse spatiotemporal observations is a fundamental inverse problem in scientific machine learning. In brain tracer imaging, dynamic contrast-enhanced MRI (DCE-MRI) provides time-resolved measurements of tracer concentration, while the underlying velocity and source mechanisms governing tracer propagation remain unobserved. We formulate this problem as physics-informed latent-state inference, in which the transport field itself is the primary object of inference rather than an auxiliary variable used only to reconstruct observed densities. We propose Physics-Informed Neural Optimal Mass Transport (PI-NOMT), a framework that represents density, velocity, and source as continuous neural fields and combines a continuous neural density teacher, recursive differentiable advection--diffusion--source rollout, unbalanced optimal-transport regularization, and governing-equation supervision. Physical laws act as structural priors that constrain the space of admissible transport mechanisms, while observed tracer dynamics provide evidence for estimating the latent transport state. We evaluate PI-NOMT on a synthetic benchmark with known ground-truth transport and on DCE-MRI sequences from nine control rats. On the synthetic benchmark, PI-NOMT accurately recovers the prescribed velocity field, including its magnitude, direction, and integrated trajectories, rather than merely reconstructing endpoint densities. Across the nine rat datasets, the framework yields sub-percent local endpoint error, consistent physical speed scales, and low post-training PDE and incompressibility residuals. These results support physics-informed latent-state inference as a general framework for recovering hidden transport mechanisms from observed dynamic scalar fields.

Variational autoencoders (VAEs) offer an efficient approach to amortized Bayesian inference for inverse problems, but posterior accuracy can depend strongly on the choice of variational regularization, particularly when the inverse problem contains weakly identified parameter directions. This study investigates three objectives: a reverse Kullback--Leibler formulation (VAE-KL), an asymmetric Jensen--Shannon formulation (VAE-JS), and a Jensen--Shannon--Wasserstein formulation (VAE-JSWA), which replaces the reverse Kullback--Leibler regularizer with the squared 2-Wasserstein distance while retaining forward-Kullback--Leibler posterior supervision. A full-covariance Gaussian encoder and a pre-trained physics-based surrogate are used for amortized posterior inference. A local linear--Gaussian analysis in the generalized Fisher basis is developed to characterize the variance-dependent gradients of the three objectives. The formulations are first evaluated using linear--Gaussian benchmarks with known posterior solutions and subsequently tested on nonlinear physics-based inverse problems, including an inverse problem governed by a linear ODE and two PDE-constrained problems. VAE-KL performs slightly better than the other formulations in the well-conditioned benchmark, where all three approaches yield comparable posterior approximations, whereas VAE-JSWA provides substantially lower posterior errors in the strongly ill-conditioned benchmark. The nonlinear physics-based problems exhibit a similar conditioning-dependent trend, with JS-based formulations providing greater benefit as posterior ill-conditioning increases. These results indicate that posterior conditioning is an important factor in selecting variational objectives and motivate geometry-adaptive variational inference for Bayesian inverse problems.

Generative models are increasingly used to solve scientific inverse problems, but existing evaluations still focus primarily on whether a method can produce a single plausible reconstruction. This is insufficient for ill-posed problems, where multiple solutions may be consistent with the same sparse or noisy observations. In these settings, a method can achieve strong pointwise accuracy while still failing to capture the true posterior through mode collapse, overconfident uncertainty, or averaging incompatible solutions. We introduce PosteriorBench, a benchmark for evaluating the distributional accuracy of generative inverse solvers. PosteriorBench evaluates four physics-based inverse problems: Darcy flow inversion, Poisson source recovery, carbon capture and storage, and light transport material inference. For each task, we construct high-fidelity reference posteriors using computationally heavy but established procedures such as rejection sampling and Markov chain Monte Carlo, enabling direct assessment of whether solvers recover the full set of solutions rather than the single best sample. We pair these references with a five-metric posterior evaluation suite: posterior-mean error, posterior-standard-deviation error, maximum mean discrepancy, sliced Wasserstein distance, and radially averaged power-spectrum error. These metrics assess pointwise accuracy, marginal uncertainty, distributional alignment, and global frequency fidelity. The benchmark spans sparse sensing, low-resolution observations, nonlinear forward models, varying noise levels, and multimodal priors, with a unified pipeline for distribution matching and uncertainty quantification. Our experiments reveal substantial distribution-matching gaps across current solvers, while showing that neural operators improve resolution robustness, and guidance weights and generation noise are key to posterior-variance calibration.

Full waveform inversion (FWI) estimates subsurface velocity from seismic recordings, but its ill-posedness and nonlinearity make accurate reconstruction strongly dependent on initialization and prior information. Diffusion posterior sampling provides a learned geological prior, yet directly coupling its denoiser to the nonlinear wave solver can yield unreliable physical guidance. We propose Physical-State-Guided Diffusion Sampling (PSG), which couples a persistent physical velocity to the diffusion prior through a Gaussian bridge. The physical state is refined by waveform fitting regularized by the denoised velocity, and in turn guides the reverse diffusion process. This formulation separates the wave-equation and denoiser gradients while preserving conventional FWI initialization and accumulated optimization history. On four OpenFWI families, PSG's terminal denoised estimates outperform classical and diffusion-based baselines under clean and missing-trace acquisitions and maintain strong structural recovery under measurement noise. Repeated stochastic runs preserve the dominant geological structures, with ensemble variability concentrated near geological interfaces and positively associated with local inversion error. A frozen OpenFWI-trained prior further supports inversion of the larger Marmousi, Overthrust, and BP2004 Salt models, recovering complex geological structures without retraining.

We propose a linearized Physics-Informed Neural Network (lPINN), a reduced-order neural basis method for forward and inverse differential equations. In an offline stage, lPINN learns operator-compatible continuous neural basis functions from an ensemble of numerical solutions. The basis functions are differentiable through automatic differentiation and are pretrained using solution data together with either derivative information or physics residuals. For each new problem instance, the basis functions are frozen and the solution is obtained by minimizing the governing-equation residual together with applicable initial, boundary, regularization, and observational terms. Unlike surrogate and operator-learning methods, the training data define the trial space offline, while the instance-specific solution is computed online by enforcing the governing physics. Relative to vanilla PINNs, lPINN pretrains the nonlinear hidden-layer representation offline and performs online inference only in the final linear layer. We evaluate lPINN on forward and inverse problems for the advection-diffusion equation, Burgers' equation, and the nonlinear pendulum equation. Compared with vanilla PINNs, lPINN achieves lower solution and parameter errors while reducing online inference times by approximately one to more than three orders of magnitude, with the largest gains generally observed for limited residual or measurement data. Cross-resolution experiments show that the learned continuous representation can be evaluated on finer meshes without retraining and with nearly unchanged accuracy.

In this work, we develop an inverse Physics-Informed Neural Network (PINN) framework to infer the dependence of the scrape-off layer (SOL) perpendicular heat conductivity on plasma density and temperature, $\kappa_\perp(n,T)$. The method combines radial profile measurements of electron density and temperature with the residual of a reduced one-dimensional SOL transport equation, so that the inferred conductivity is constrained by both the measurements and the underlying transport model. Three neural networks are trained simultaneously: two reconstruct the temperature and density profiles as functions of the radial coordinate and transported power, while a third represents the effective conductivity as a function of the local density and temperature. The framework is first validated using synthetic data generated from a prescribed conductivity function, allowing the inferred $\kappa_\perp(n,T)$ to be compared directly with the ground truth. The model recovers the imposed functional dependence with errors below $10~\%$ in the data-constrained region. Bootstrap resampling is shown to provide a practical indicator of prediction reliability and consistency. A scan in the number of plasma profiles used for training and the number of radial measurement positions per profile identifies a practical trade-off between reconstruction accuracy and data availability. Finally, the method is applied to an experimental dataset from the TJ-II stellarator obtained with the helium-beam diagnostic. This exploratory application provides an initial estimate of the effective SOL conductivity and illustrates the potential of inverse PINNs for extracting transport information from plasma edge measurements.

We identify a diagonal saturation principle in modal inverse problems: when truncation noise is isotropic, the Bayes-optimal Tikhonov shape is a closed-form power law Gamma_k proportional to lambda_k^|s| set by the prior alone, independent of the domain. Berry's random-wave conjecture decorrelates the truncation noise across modes, and Weyl's eigenvalue counting law supplies enough modes for the conclusion to survive empirical Berry violations. Together they predict an approximately flat loss landscape across the per-mode family, leaving narrow scope for a diagonal regularizer to robustly beat the closed form. On FEM-simulated acoustic rooms, the closed form is near-optimal relative to per-room oracle tuning across observation windows, and three diagonal architectures trained on the same data match its reconstruction error within 1 pp despite learning qualitatively different spectra. The framework extends to heat diffusion via a known exponential Green's function correction with no new free parameters. Saturation is restricted to the diagonal family: Learned Iterative Ridge crosses the boundary by exploiting cross-mode coupling, locating where learning starts to help.

Field temporal prediction and source identification constitute canonical problems in dynamical systems. Conventional approaches to these problems depend on a thorough understanding of the governing partial differential equations (PDEs). Recently, deep learning, as represented by neural operators, has provided a data-driven paradigm for addressing such tasks. However, most existing global neural operators for PDEs require large training datasets and many learnable parameters, with limited interpretability and generalization. We propose the local gradient neural operator (LGNO) as a lightweight and interpretable alternative for field temporal evolution prediction and source identification in typical mechanical problems. The method builds on priors from nonlinear gradient discretization and uses multilayer perceptron convolutional layers to learn translation-invariant local kernels that resemble discrete stencils. A zero consistent stencil factorization separates coefficient learning from field reconstruction, rendering the learned operators more transparent. For problems with symmetries, network folding shares equivalent components and reduces parameter counts. We evaluate the method on PDE benchmarks covering linear and nonlinear, static and dynamic, and low and high dimensional cases. Results show that LGNO maintains accuracy, parameter efficiency, and rollout stability across these tasks, and further exhibits wide applicability to mechanical problems including diffusion, flow, and quantum phenomena.

This paper addresses infinite-dimensional Bayesian inference for inverse problem of partial differential equations with model parameters in infinite-dimensional Hilbert space. To effectively incorporate prior information, we propose a novel continuous normalizing flows based infinite-dimensional model. Specifically, by introducing a well-defined neural ordinary differential equation in infinite-dimensional space, a simple reference measure can be transformed into a more complex measure which encodes the prior information. A corresponding theoretical framework is established to ensure the well-posedness of our proposed Bayesian prior in infinite-dimensional space. We also provide training methods of the prior for two distinct data settings, along with two sampling algorithms for the resulting Bayesian posterior. The proposed framework is applied to three representative inverse problems: the simple smooth inverse problem, inverse scattering problem, and the inverse heat conduction problem. Numerical experiments support the theoretical analysis and demonstrate the efficiency of the proposed algorithms.

Neural operators provide fast surrogates for partial differential equation (PDE) solvers, but their reliability can degrade for high-dimensional spatial inputs and inverse or repeated inference. State-only training constrains solution values but not the learned input--output response. We study sensitivity-constrained neural operators (SC-NOs), which augment standard training with sampled solver-derived Jacobian supervision. Selected sensitivities from differentiable solvers or discrete adjoints are matched during training, allowing response information to be amortized across minibatches without imposing the full Jacobian at every update. We evaluate SC-NO on advection--diffusion and RANS--Spalart--Allmaras benchmarks, input-dimensionality scaling tests, long-horizon autoregressive rollout, and a shallow-water Tohoku tsunami source-inversion case. Sensitivity supervision improves forward prediction and yields larger gains in gradient-based inverse reconstruction of distributed fields. Scaling experiments show an improved accuracy--cost tradeoff for high-dimensional gridded inputs, while ablations indicate that state values and Jacobian information provide complementary supervision. In the tsunami case, SC-FNO reconstructs gridded seafloor deformation from sparse early gauge observations and forecasts subsequent wave propagation in a near-real-time proof-of-concept workflow. These results support sampled sensitivity supervision as a practical way to improve neural PDE surrogates when forward accuracy, inverse stability, robustness, and computational cost must be considered together.

Physics-informed neural networks and hybrid models infer PDE coefficients from noisy data. When a trained network returns one, no standard check says whether to trust it. We show what those checks report when the operator is wrong: one sensor aggregating several diffusion sources. On one parabolic benchmark at $2\%$ noise, the in-domain error is $1.4$ times the noise while the identified diffusivity settles $30\%$ off. Every least-squares minimiser reaches that value, which drifts $27\%$ across windows; the network, whose objective is composite, settles $1.3\%$ away. The checks stay as silent when the design is blind to a rate of a richer operator, though the remedies are opposite. We develop a reference-free diagnostic, read in the physical parameter, not the weights, without retraining the network: an information-matrix test on the residuals, a heterogeneity statistic across window refits, and a Fisher-rank statistic on the design at the rates the single fit postulates. On the analytic head the specification test holds its pre-registered ceiling and rejects every misspecified replicate of both benchmark configurations, with a notch against a missing reaction term. The rank statistic is exactly zero only where the design is blind; a wrong operator confined to that mode leaves the specification test mute, and the rank statistic says so before any fit. The window reading exceeds its ceiling by one seed in thirty. A network frozen at its minimum returns the same verdicts; one stopped short rejects as a wrong operator would.

Physics-informed learning of partial differential equations (PDEs) has been dominated by multilayer perceptrons (MLPs), whose spectral bias and dense parameterization limit both accuracy and interpretability. Kolmogorov Arnold Networks (KANs) mitigate these limitations because their learnable spline activations are structurally aligned with the piecewise-polynomial bases of classical discretizations. However, the way a PDE is cast into a loss functional is as decisive as the choice of approximator: strong-form residual minimization requires high-order derivatives and heavily weighted losses, the energy (Bubnov-Galerkin) form is restricted to self-adjoint operators and, as we show, collapses to a trivial solution for parameter-identification problems, and boundary integral forms require a known fundamental solution. We propose PG-KINN, a physics-informed KAN built on a Petrov-Galerkin formulation in which the trial space is a KAN and the test space is an independent, compactly supported, piecewise-polynomial space evaluated with Gauss-Legendre quadrature. Integration by parts lowers the differentiation order while retaining applicability to general non-self-adjoint, nonlinear, and inverse problems; the localized test functions turn the global residual into a set of element-wise weak residuals with favorable conditioning. On a suite of benchmarks spanning crack singularities, stress concentration, Neo-Hookean hyperelasticity, inverse parameter identification in heterogeneous media, and complex geometries, PG-KINN consistently outperforms legacy MLP baselines and state-of-the-art KAN-based strong/energy/inverse formulations (PIKAN). These results position the Petrov-Galerkin coupling of KAN trial spaces and polynomial test spaces as a robust and accurate route for AI-based computational mechanics.

Estimating spatially heterogeneous elastic properties from low-resolution displacement measurements is a severely ill-posed inverse elasticity problem because low resolution obscures spatial details needed to distinguish heterogeneous property variations, and small measurement perturbations or fitting errors are amplified through inverse estimation. Existing inverse methods often rely on high-fidelity observations and manually prespecified loss weights, limiting their adaptability and making them sensitive to noise and resolution degradation. We propose a Probabilistic Inverse Elasticity Physics-Informed Neural Network (PIE-PINN) framework for robust estimation of Young's modulus and Poisson's ratio from noisy, low-resolution displacement data. PIE-PINN models displacement observation, strain-discrepancy, and equilibrium residuals using Laplace distributions within a unified probabilistic model. To improve robustness, the framework combines a B-spline-guided displacement network with a hierarchical half-Cauchy model for displacement residual scales. The B-spline provides a smooth global representation of the displacement field, while the neural network correction captures local variations. The hierarchical scale model adaptively downweights severe displacement fitting errors, enabling more robust recovery of the latent mean displacement field. An alternating maximum-likelihood training strategy updates the mean through weighted residual minimization and updates the scales to adjust the loss weights. Systematic case studies across varying noise levels and observation resolutions demonstrate the robustness of PIE-PINN.

The Helmholtz equation governs time-harmonic wave propagation, and in dissipative media a complex modulus renders its squared wavenumber $κ^2$ complex. Inferring such fields from sparse, noisy data calls for solvers that also quantify their own uncertainty. Physics-informed Gaussian-process (GP) regression supplies this by returning a posterior over the solution, yet operator-conditioned formulations have been developed almost exclusively for real-valued fields. We extend operator-informed GP regression to complex-valued Helmholtz problems by realifying the complex operator into an equivalent coupled real block, which enables inference with standard real-valued GP conditioning. The construction admits a family of priors, from a proper diagonal prior to coregionalized and multiscale variants, and conditions on PDE residuals and boundary traces. On benchmark problems in one to three dimensions, the solver is competitive with finite-difference and neural-network baselines at a far smaller interior-constraint budget. Unlike those deterministic baselines, it returns a posterior over the complex wavefield rather than a point estimate. Applied to \textit{in vivo} brain magnetic resonance elastography, a proper multiscale prior reconstructs the shear curl field to a correlation of $0.77$ with measurement, above a $0.75$ target. The gain arises from the multiscale kernel rather than from real--imaginary coupling. We further identify a low-frequency accuracy ceiling set by model mismatch and a posterior uncertainty that is not yet calibrated. Calibrated uncertainty therefore emerges as the central next step for probabilistic wavefield inference in dissipative media.

Discovering the memory or nonlocal kernel governing an integro-differential equation (IDE) from sparse and noisy observations is an ill-posed inverse problem. Existing identification methods often rely on problem-specific analytical derivations, specialized observation requirements, or restrictive assumptions about the kernel, limiting their applicability across different classes of IDEs. In this work, we propose a differentiable-solver-based framework for discovering memory and nonlocal kernels directly from spatiotemporal observations. Within the solver, the unknown kernel is represented using a constrained Kolmogorov--Arnold Network (KAN) parameterization, with the physical constraints imposed through two different approaches: a Bernstein-polynomial-based Monotone--Convex KAN (MC-KAN), whose coefficient constraints enforce positivity, monotonic decrease, and convexity by construction, and a Chebyshev-based KAN (Cheb-KAN), in which the same properties are encouraged through soft penalty terms. After training, symbolic regression is applied to the learned kernels to obtain interpretable closed-form representations. We evaluate both methods on benchmarks spanning a one-dimensional Volterra equation, a one-dimensional viscoelastic wave partial integro-differential equation, and a two-dimensional nonlocal reaction-diffusion equation with an anisotropic coupled kernel. For the 1D problems, both methods recover the correct kernel functional form and achieve comparable solution-reconstruction accuracy. In contrast, for the sparse and noisy 2D nonlocal problem, the hard-constrained MC-KAN consistently achieves lower kernel reconstruction errors than the soft-constrained Cheb-KAN. Our results demonstrate that enforcing physically motivated shape constraints by construction provides greater robustness than soft penalties for multidimensional kernel discovery from sparse and noisy observations.

Physics-informed neural networks (PINNs) often face ill-posed optimization, competing losses, and parameter compensation in partial differential equation (PDE) inverse problems. Transfer learning can reuse source-task representations, but direct fine-tuning may induce negative transfer when source and target physics differ, leading to low field error but inaccurate parameter recovery. To address this issue, we propose Target-Guided Selective Reweighting PINN (TGSR-PINN), a target-evidence-driven representation correction method for PINN inverse transfer learning. TGSR-PINN transfers source network weights and biases but initializes target physical parameters independently. After target short adaptation, it scores neurons using first-order Taylor sensitivity and pre-activation variance on fixed batches. These scores are converted into continuous weak-adaptation signals using a Gaussian mixture model with rank fallback. TGSR-PINN then applies bounded selective soft decay to the corresponding input weight rows and biases without pruning or resetting them. Experiments on a zero-source high-Péclet inflow-outflow problem with nonzero Dirichlet data and an outflow boundary layer, Allen-Cahn to Burgers cross-PDE transfer, and 5%-noise reaction-diffusion inverse problems show that TGSR-PINN improves parameter recovery while maintaining low field error. Ablation studies indicate that neuron target scoring, weak-adaptation estimation, layer protection, and selective soft decay jointly contribute to the observed benefits.

High-resolution velocity models are crucial for reservoir characterization and subsurface delineation. However, the band limited nature of our surface recorded data limits resolution. Utilizing well measurements to enhance the resolution of our subsurface models is an important objective. To this end, we present a diffusion-guided framework for structurally preconditioned velocity-model reconstruction from sparse well-log information. The proposed approach combines plane-wave PDE regularization, structurally preconditioned inversion, and measurement-guided diffusion posterior sampling within a unified formulation. Local structural slopes estimated through plane-wave destruction are used both to propagate well information along geological dip directions and to guide the diffusion sampling process through a joint velocity--slope generative prior. Numerical experiments on the Volve synthetic model and the Viking Graben field dataset demonstrate that the proposed framework improves structural continuity, lateral consistency, and geological realism compared with conventional structurally preconditioned inversion approaches while maintaining computationally practical inference through DDIM sampling.

Operator learning for partial differential equations (PDEs) on arbitrary geometries builds fast neural surrogates for large-scale simulation. Although recent geometry-adaptive neural operators have made substantial progress, they are mainly designed for forward problems in which inputs and outputs share the same spatial domain. This limits their applicability for boundary value problems (BVPs) and inverse problems, where inputs and outputs may live on different domains. We introduce the Geometry-Adaptive Integral Autoencoder (GAIA), an operator learning model that encodes the domain boundary and the interior field distribution into geometry tokens, and conditions integral transform layers on these tokens via cross-attention, allowing the kernel to adapt locally to geometric features. This yields a single architecture for forward (including BVPs) and inverse problems on arbitrary domains in one pass, without retraining, iterative optimization, or graph construction. We evaluate GAIA on seven 2D and 3D benchmarks, four of which are new or substantially extended benchmarks for inverse problems and BVP: electrical impedance tomography, optical tomography, 3D Darcy flow on varying geometries, and a modified setting of Poisson BVP on mechanical components benchmark (MCB). GAIA sets new state-of-the-art results on every inverse and BVP task, reducing median relative $L^2$ error by 64% on airfoil flow reconstruction and 27% on EIT relative to the next best amortized method, and outperforming all baselines on every shape category of MCB. On other forward problems, GAIA is competitive with specialized solvers while maintaining stable accuracy across point resolutions on which transformer-based baselines degrade.

Physics-informed neural networks (PINNs) have recently emerged as a promising framework for addressing the Calderón inverse problem from limited boundary data. In this work, we revisit neural Calderón inversion by introducing multiscale boundary excitations based on randomized wavelet functions and investigating the role of Fourier-feature encoding (FFE) for representing sharp conductivity variations. We propose a physics-informed reconstruction framework that represents the unknown conductivity and the associated family of electric potentials with separate neural networks conditioned on the applied boundary excitations. The governing elliptic PDE is enforced through physics-informed residuals, while finite Dirichlet-to-Neumann (DtN) data are incorporated through boundary losses. Using synthetic data from a finite-difference forward solver, we evaluate the method on conductivity fields with inclusions, sharp interfaces, smooth profiles, and heterogeneous media. Results show that the framework recovers dominant conductivity structures from finite boundary measurements with relative errors between $3\%-12\%$ approximately. We show that FFE improves the reconstruction of localized sharp features, particularly for inclusions and interfaces, but are not universally optimal, with raw-coordinate networks performing competitively for smoother fields. These results highlight coordinate representations and boundary excitation design as key factors in neural Calderón inversion.

We propose latent-space diffusion posterior sampling (L-DPS), an approximate Bayesian framework for high-dimensional inverse problems governed by partial differential equations (PDEs). The method addresses three challenges in PDE-constrained inversion: implicit sample-based priors without tractable densities, high-dimensional spatially distributed parameters, and the high cost of repeated forward-model evaluations during posterior sampling. L-DPS combines a variational autoencoder, an unconditional latent diffusion model, diffusion posterior sampling, and a differentiable neural surrogate. The VAE maps the parameter field to a lower-dimensional latent space, the diffusion model learns an implicit prior score in this latent space, and DPS combines this learned prior with likelihood-based guidance. The likelihood gradient is evaluated through the decoder-surrogate composition, avoiding repeated calls to the full numerical PDE solver. We evaluate the method on an inverse Darcy flow problem with an unknown spatially distributed permeability field inferred from sparse and noisy pressure observations. L-DPS produces accurate and robust inverse solutions, reduces inference cost relative to full-space DPS, and outperforms amortized inverse baselines such as conditional latent diffusion and inverse FNO in sparse and noisy regimes. We further compare L-DPS with a KLE-MAP baseline and study mixed-prior generalization and the sensitivity of inversion accuracy to surrogate forward-model error.

Phase-field models play a central role in the continuum description of phase separation, in which the bulk free-energy density and the interfacial thickness parameter determine pattern formation and microstructural evolution. In practice, these constitutive quantities are rarely known a priori and must be inferred from limited dynamical observations. In this work, an extended pseudo-spectral physics-informed neural network (ESPINN) framework is developed for the inverse identification of phase-field models from transient snapshot data. It enables the simultaneous recovery of both the bulk chemical potential and unknown gradient coefficients. Numerical experiments on the one-dimensional Cahn-Hilliard equation demonstrate accurate and statistically stable reconstruction in the noiseless regime, with substantial constitutive information recoverable from even a single snapshot pair. In the presence of noise, reconstruction accuracy degrades gracefully, and increasing the number of snapshots improves robustness by reducing variance across runs. These results establish ESPINN as a data-efficient and physically consistent approach for learning free-energy structure in continuum models of phase separation.