PDE Inverse Problems

PDE: Partial Differential Equation

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14 papers in the last four weeks, against 2 the four weeks before. 0.1% of all new papers.

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Latest papers 68

Jun 23, 2026cs.LG

Geological text descriptions in ill-posed inverse problems: insights from learned hydraulic-conductivity inversion

Hydraulic-conductivity inversion is ill posed: even complete head observations can leave structural ambiguity. Geological text descriptions can supply additional information about subsurface structure to constrain reconstruction. However, it remains unclear when descriptions improve reconstruction and how solvers use their stated content. We examine these questions in learned inversion using a synthetic Darcy-flow benchmark with idealised descriptions, varying observation density and flow direction. After sparse-observation training, descriptions can improve reconstruction over models trained without them when observations leave structural ambiguity, though gains vary across conditions and runs. Instance-specific content can improve reconstruction beyond field-type information. Editing this content shifts reconstructions toward the stated geometry of selected features, less strongly as observations become more informative about those features. We do not establish a reconstruction advantage of text over numerical inputs encoding the same geological information. Finally, we discuss how this complementarity could guide the joint design of measurements and geological knowledge acquisition.

Taiga Saito, Yu Otake, Daijiro Mizutani +1

Department of Civil and Environmental Engineering, Tohoku University, 6-6-06 Aramaki Aoba, Aoba-ku, Sendai, Miyagi, 980-8579, Japan

PDE Inverse Problems Inverse Problems

Jun 21, 2026stat.ML

Flow Annealing Posterior Sampling for Function-Space Regression and Inverse Problems

Principled regression for stochastic processes is a long-standing challenge with deep connections to scientific inverse problems. We introduce Flow Annealing Posterior Sampling (FLAPS), to our knowledge the first function-space posterior sampling framework that unifies stochastic-process regression and PDE inverse problems. Built on pretrained function-space flow-matching priors, FLAPS enables likelihood-guided posterior inference from sparse and noisy observations, supports variable query discretizations, and avoids explicit prior-density evaluation. Its Langevin correction uses a low-rank covariance preconditioner to exploit dominant function-space correlations across discretizations. Across Gaussian and non-Gaussian stochastic-process regression benchmarks and diverse PDE inverse problems, FLAPS produces coherent posterior samples with well-calibrated uncertainty quantification, significantly outperforming existing functional regression baselines and achieving competitive or better noisy PDE inverse performance than diffusion-based posterior samplers while reducing test-time sampling cost.

Yaozhong Shi, Zachary E. Ross, Yisong Yue

California Institute of Technology

Bayesian Inverse Problems Posterior Sampling Flow-Based Generative Modeling PDE Inverse Problems Gaussian Process Regression

Jun 16, 2026math.NA

Starter-Iterator Neural Operator: A Unified Architecture for High-Fidelity Forward and Inverse PDE Problems

Operator learning is an emerging field at the intersection of machine learning and scientific computing. By learning mappings between function spaces, neural operators provide data-driven surrogate models for families of partial differential equations (PDEs). Once trained, these models can evaluate solution operators efficiently, making them suitable for many-query applications such as real-time prediction and parameter sweeps. However, maintaining high approximation accuracy and stable long-term predictions remains challenging for complex forward and inverse problems. To address these challenges, we propose the Starter-Iterator Neural Operator (SINO), which incorporates the initialization and residual-correction structures of classical iterative solvers into neural operator learning. The frequency-domain Starter captures dominant global spectral features and provides an informed initial approximation, while the latent-space Iterator applies successive residual-based corrections to refine local and multiscale solution structures. Experiments on representative time-dependent PDEs, including the Navier-Stokes and acoustic wave equations, together with applications to image super-resolution and weather forecasting, show that SINO achieves competitive accuracy and stable performance across the benchmarks considered in this work.

Kuilin Qin, Lianfang Wang, Xu Sun +4

PDE Surrogate Modeling PDE Operator Learning PDE Inverse Problems Neural Operators

Jun 12, 2026cs.LG

Decoupled Latent Optimization of Diffusion Models for Full Waveform Inversion

Full waveform inversion (FWI) recovers subsurface velocity from seismic recordings by solving a severely ill-posed, nonconvex PDE-constrained optimization. Classical regularizers stabilize the inversion but fail to reproduce realistic geological structures; recent diffusion-prior methods improve realism at the cost of a fragile trade-off between data fidelity and prior consistency. We propose Decoupled Latent Optimization (DLO), which relaxes the standard latent-optimization formulation into a quadratic-penalty objective over an auxiliary physical variable and a latent variable. The data-fidelity gradient acts in physical space, the diffusion sampler contributes only through a decoded prior sample, and the standard smoothed-velocity initialization of classical FWI is preserved. On the OpenFWI benchmark, DLO outperforms classical regularizers and existing diffusion-based methods under clean, noisy, and missing-trace acquisitions. The prior, trained on 70*70 OpenFWI models, transfers directly to the Marmousi and Overthrust benchmarks, where DLO recovers intricate fault structures and remains robust to initialization smoothing and measurement noise.

Chen Min, Zheng Ma

School of Mathematical Sciences, Shanghai Jiao Tong University, Shanghai, China · CMA-Shanghai, Shanghai Jiao Tong University, Shanghai, China

Diffusion-Based Inverse Problems PDE Inverse Problems Inverse Problems

Jun 10, 2026cs.LG

Physics-Informed Neural Networks and Radial Basis Functions for PDEs with Dirac Delta Sources

Physics-Informed Neural Networks (PINNs) are a machine learning method for solving forward and inverse Partial Differential Equations (PDEs). When applied to PDEs with Dirac delta functions in the forcing terms, boundary conditions, or initial conditions, PINNs require approximating them with smooth surrogate functions, a practice that can introduce significant modeling errors. In this work, we exploit the interpretation of PINNs as Residual Least Squares (RLS) methods and show that this perspective enables direct treatment of Dirac delta terms by integrating the weak-form equation. Among RLS formulations other than PINN, we focus on the Radial Basis Function (RBF) expansion (also known as a single-layer RBF Network). We show that while integrating out the Dirac delta in PINNs causes residuals to fail to converge to zero, RBF-RLS consistently provides good forward and inverse solutions to transport problems. We explain this finding using the Neural Tangent Kernel (NTK) theory. We test both approaches on linear PDEs that represent groundwater flow and transport in porous media and rivers. We solve inverse problems to fit synthetic data, noisy synthetic data, and real-world measurements.

Manuel Reyna, Alexandre Tartakovsky

Department of Civil and Environmental Engineering, University of Illinois Urbana-Champaign, 205 North Mathews Avenue, Urbana, 61801, IL, USA

PDE Solving Physics-Informed ML PDE Inverse Problems Radial Basis Function Networks

Jun 10, 2026math.NA

Adjoint Method versus Physics-Informed Neural Networks in PDE-Constrained Inverse Problems

Inverse problems governed by partial differential equations (PDEs) are central to computational mechanics and are commonly solved by adjoint-based optimization, while physics-informed neural networks (PINNs) have emerged as a flexible alternative. Their relative performance remains difficult to assess because the two approaches are often compared under different formulations, parameterizations, optimizers, and regularization choices. We present a fair comparison of adjoint optimization and PINNs for PDE-constrained inverse problems. From a common abstract formulation, we instantiate both methods on identical domains, governing equations, observation models, and regularization terms, while matching the optimizer, unknown parameterization, and arithmetic precision wherever applicable. The benchmarks include unsteady Burgers, noisy Darcy permeability inversion, three-dimensional Allen--Cahn reaction identification, and unsteady Navier--Stokes viscosity identification. The results show that the representation of the unknown largely determines the preferred method: grid-based fields favor the discrete adjoint, whereas neural representations are native to PINNs and relevant for closure and constitutive modeling. For time-dependent problems, adjoint inversion can be dominated by trajectory storage and differentiation, while PINNs provide satisfactory reconstructions at lower cost. A PINN-warm-started adjoint strategy then recovers adjoint-level accuracy at substantially reduced cost.

Zhen Zhang, Alessandro Alla, George Em Karniadakis

Division of Applied Mathematic, Brown University, Providence, RI, USA · Department of Mathematics, Sapienza Università di Roma, Rome, Italy

Constrained Optimization Physics-Informed ML PDE Inverse Problems

Jun 9, 2026cs.LG

Loss Landscape Diagnosis for Gradient-Based Gray-Scott System Inversion: Disentangling the Roles of PINN Components

Gradient-based inversion of reaction-diffusion systems is typically approached via surrogate models or physics-informed neural networks (PINNs), while the most direct route, backpropagation through the PDE's structure itself, has largely been avoided. We pursue this direct route as a diagnostic probe, backpropagating a steady-state loss through unrolled Gray-Scott simulation to recover its parameters, with no surrogate or neural-network augmentation. Optimization fails to converge, and plotting the landscape directly locates the failure in its geometry -- flat plateaus with no gradient signal, bounded by sharp cliffs that align with bifurcation boundaries -- a structure that recurs across loss functions and is inherited however the gradients are routed to parameters. Reading this minimal setup as an ablation of PINN, we disentangle each component's role: with the neural network fixed, the residual loss is quadratic in the PDE parameters and yields a smooth landscape, so it alone already avoids the pathology, by implicitly encoding the full PDE dynamics across all initial conditions. The neural network, for its part, cannot repair an ill-posed parameter subspace, and so serves only to complete the observed data -- a division of labor not previously made explicit. These findings carry concrete design implications for PINN-type methods and a broader heuristic on when added dimensions actually help.

Yan Yang

Independent Researcher.

Dynamical Systems Parameter Estimation Physics-Informed ML Loss Landscape Geometry PDE Inverse Problems

Jun 5, 2026math.NA

No-Harm Physics-Informed Inverse Learning with Residual-Calibrated Uncertainty

Physics-informed learning is increasingly used for partial differential equation (PDE)-governed inverse problems, but its reliability remains difficult to certify. This paper develops a no-harm certification-and-selection framework for physics-informed inverse learning. A learned reconstruction is accepted only when its residual-calibrated radius is no worse than the baseline radius, namely when

R_{\mathrm{learn}}\le R_{\mathrm{base}}+\varepsilon_{\mathrm{safe}};

otherwise, the method returns the baseline. The certificate combines data, physics, boundary or initial-condition, and optimization residuals. Under a conditional stability estimate, these residuals yield an a posteriori reconstruction-error bound and a deterministic uncertainty radius. A high-probability certificate is also derived for physics residuals estimated from independent random collocation points. Numerical tests on Poisson source recovery, inverse heat reconstruction, limited-angle tomography, elliptic coefficient identification, and stochastic residual validation show that the selector accepts certified improvements, rejects shifted, hallucinated, or unfinished candidates, and becomes conservative in strongly ill-posed regimes. The framework is therefore a certification-and-selection layer, not another reconstruction architecture.

Ronald Katende

Department of Mathematics Kabale University Kikungiri Hill, Katuna Road, Kabale, Uganda

Uncertainty Quantification Physics-Informed ML PDE Inverse Problems

Jun 4, 2026physics.flu-dyn

Wall Shear Stress Reconstruction from Concentration: Differentiable Physics and Physics-Informed Neural Networks

Wall shear stress (WSS) governs near-wall transport dynamics and is a key hemodynamic indicator in cardiovascular flows, yet remains difficult to infer accurately due to the need for precise computation of near-wall velocity gradients. Passive scalar fields, such as concentration or temperature, are advected by the same underlying velocity field and have the potential to uncover hidden flow physics metrics such as WSS. In this work, we demonstrate such reconstruction from spatially limited passive scalar observations using two fundamentally different inverse frameworks: a differentiable physics framework based on discrete adjoint, PDE-constrained optimization, which enforces the governing equations as hard constraints, and physics-informed neural networks (PINNs), which treat them as soft constraints. Benchmark problems include a 2D canonical backward-facing step (2D-BFS) and a 3D patient-specific stenotic coronary artery. For the 2D-BFS case, evaluated under three measurement scenarios (near-wall, far-field, and combined), PINN achieves high accuracy when near-wall data are available but fails when restricted to far-field measurements, whereas the differentiable physics approach recovers accurate WSS across all scenarios. In the 3D patient-specific case, the differentiable physics framework outperforms PINNs, yielding accurate WSS reconstruction. These results establish that measurement location and inverse formulation jointly determine reconstruction fidelity in scalar-based near-wall flow inference. The proposed framework opens a path toward estimation of near-wall hemodynamics from scalar transport data, with broader applicability to fluid flow problems where passive scalars can be observed.

Mahmoud Elhadidy, Siva Viknesh, Roshan M. D'Souza +1

Department of Mechanical Engineering, University of Utah, Salt Lake City, UT, USA · Scientific Computing and Imaging Institute, University of Utah, Salt Lake City, UT, USA · Department of Mechanical Engineering, University of Wisconsin–Milwaukee, Milwaukee, WI, USA +1

Differentiable Physics Physics-Informed ML PDE Inverse Problems Computational Fluid Dynamics

Jun 3, 2026cs.LG

The Right Measure for Physics-Constrained Generation: A Co-Area Correction for Posterior-Consistent PDE Inverse Problems

Generative models -- diffusion and flow matching -- are increasingly used to solve partial differential equation (PDE) inverse problems, enforcing the governing physics as a \emph{hard constraint} (via projection or guidance) and reporting the resulting samples as a Bayesian posterior with calibrated uncertainty. We show that this widely adopted recipe samples the wrong distribution. Conditioning a generative prior on a hard PDE constraint is conditioning on a measure-zero manifold -- an operation that is intrinsically ambiguous (the Borel--Kolmogorov paradox) and whose physically correct resolution, the small-residual-noise limit, carries a co-area (Fixman) Jacobian factor

[det(JJ^{\top})]^{-1/2}

that projection- and guidance-based methods silently omit. We make the bias precise, show that it grows with the heterogeneity of the constraint sensitivity, and validate it on controlled problems against an \emph{i.i.d.} ground-truth arbiter. The omitted factor is not a second-order detail: removing it inflates the posterior error to

20\times

the sampling-noise floor; minimal-displacement projection (as in PCFM) is biased at

9\times

the floor; and a naive scalar reweighting does not fix it. We introduce \textbf{CoCoS}, a measure-aware constrained sampler that targets the correct co-area posterior, and show that it matches the gold-standard posterior to within sampling noise. Our results imply that satisfying the physics'' is not the same as sampling the posterior,'' and give a principled correction for uncertainty-aware scientific inference.

Jian Xu, Yanning Wu, Delu Zeng +2

1RIKEN iTHEMS · 2RIKEN AIP · 3South China University of Technology +1

Constrained Generative Modeling Physics-Informed Generative Modeling Bayesian Inverse Problems Diffusion-Based Inverse Problems Diffusion Posterior Sampling PDE Inverse Problems

Jun 2, 2026cs.CE

Critical evaluation of PINN for FWD inverse analysis and differentiable FEM as an alternative

Automatic-differentiation-based inverse analysis methods, including physics-informed neural networks (PINNs) and differentiable programming, have recently shown great promise due to their ability to compute accurate gradients and convergence efficiency. However, their applicability to falling weight deflectometer (FWD) backcalculation remains unexplored. This study critically evaluates PINN-based inverse analysis for a multilayer pavement system and investigates differentiable finite element method (DiffFEM) as an alternative based on a synthetic benchmark. The standard PINN does not recover layer moduli because of the sharp domain discontinuities inherent to layered pavement systems. Although we use an extended PINN with domain decomposition (XPINN), which shows better performance on discontinuous domains, its performance remains highly sensitive to loss weighting and network architecture, and degrades under measurement noise. By contrast, DiffFEM consistently achieves more accurate, stable, and computationally efficient inversion results. These results indicate that DiffFEM, which enforces the governing physics as a hard constraint, yields better accuracy, robustness, and computational efficiency than PINN-based approaches, in which the governing physics is imposed as a soft constraint through the loss function. More broadly, the findings suggest that the choice between PINN- and DiffFEM-based inverse analysis needs careful consideration, with DiffFEM offering practical advantages when an efficient and robust differentiable forward solver is available.

Yongjin Choi, Hyeonbin Moon, Seunghwa Ryu

KAIST InnoCORE PRISM-AI Center, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 34141, Republic of Korea · Department of Mechanical Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 34141, Republic of Korea · School of Civil and Environmental Engineering, Georgia Institute of Technology, Atlanta, 30332, GA, USA

Differentiable Physics Physics-Informed ML Finite Element Method PDE Inverse Problems

Jun 1, 2026eess.SP

Physics-Aware Linearized ADMM and Its Unrolling

Recently, partial differential equations (PDEs) have been used to directly model the measurement process in signal processing, although their evaluation is costly. In this paper, we propose a novel alternating direction method of multipliers (ADMM)-based algorithm called physics-aware linearized ADMM (PA-LADMM) for inverse problems from PDE-based measurement processes. The key idea is the linearization of the subproblem with PDEs, leading to a cost-efficient update rule that calls only a PDE solver and its gradient evaluation per iteration. The algorithm has a theoretical convergence guarantee under certain conditions. In addition, we combine it with deep unfolding to unroll the PA-LADMM and train its internal parameters using supervised data. Two distinct experiments, compressed sensing with optical fiber communication and image restoration from noisy anisotropic diffusion, demonstrated the effectiveness of the proposed algorithms.

Satoshi Takabe, Shunta Arai, Tadashi Wadayama

Department of Computer Science Institute of Science Tokyo Tokyo, Japan · Center for Advanced Intelligence Project RIKEN Tokyo, Japan · Department of Engineering Nagoya Institute of Technology Nagoya, Japan

Alternating Direction Method of Multipliers Algorithm Unrolling Compressed Sensing PDE Inverse Problems Image Inverse Problems

May 29, 2026cs.LG

(HB-ARFM) History-Bootstrapped Flow Matching for Inverse Boiling Reconstruction

Reconstructing spatiotemporal fields from partial observations is fundamental to scientific inference, from inferring atmospheric states from satellite data to recovering fluid states from imaging. When observations are incomplete, the inverse problem is fundamentally ill-posed: even when the underlying PDE dynamics are Markovian in the full state, partial observation operators induce a non-Markovian posterior that cannot be resolved from a single timestep. We propose a history-bootstrapped autoregressive flow matching (HB-ARFM) for spatiotemporal inverse reconstruction under partial observability. Observation history bootstraps the initial reconstruction via conditional flow matching, reducing ambiguities. The same conditional transport model is then applied autoregressively, conditioning on both new observations and past predictions to propagate the reconstruction forward in time. We evaluate the method on boiling dynamics reconstruction, recovering full velocity and temperature fields from interface geometry and motion. Across two inverse tasks with varying observation sparsity, HB-ARFM produces physically and temporally valid reconstructions where other models fail.

Xianwei Zou, Sheikh Md Shakeel Hassan, Arthur Feeney +1

Department of Electrical Engineering and Computer Science, University of California Irvine, USA.

Flow Matching PDE Inverse Problems Inverse Problems Computational Fluid Dynamics Autoregressive Modeling

May 29, 2026cs.NE

Oscillatory State-Space Models as Inductive Biases for Physics-Informed Neural PDE Solvers

Solving time-dependent partial differential equations (PDEs) is an important problem in computational science and engineering. Physics-informed neural networks (PINNs) learn PDE solutions from governing equations. However, accurately capturing temporal evolution remains challenging. Recent sequence-model-based approaches parameterize time evolution using general-purpose sequence models, which capture temporal dependencies but do not explicitly encode the structured dynamics of PDE solutions. In addition, their memory requirements can scale unfavorably with sequence length and resolution, limiting applicability in large-scale or high-dimensional settings. This work introduces a PINN approach that incorporates oscillatory state-space dynamics to represent the modal structure of PDE solutions. The proposed method leverages a linear-oscillator-based temporal evolution, together with a PDE-aware spectral basis in space. This design enables closed-form spatial differentiation and consistent enforcement of boundary conditions. The method is evaluated on forward, inverse, and high-dimensional PDE problems, including cases up to 100 spatial dimensions. The results show improved accuracy and reduced memory usage compared to recent sequence-model-based PINN approaches. Overall, this work highlights the benefits of incorporating structured dynamical priors into the temporal evolution of neural PDE solvers and suggests designing more physics-aligned and computationally efficient PINN architectures.

Abhishek Chandra, Taniya Kapoor

KTH Royal Institute of Technology Stockholm, Sweden · Wageningen University & Research Wageningen, The Netherlands

Neural PDE Solvers Physics-Informed ML PDE Inverse Problems State Space Models

May 29, 2026cs.LG

Scalable Bayesian Inference for Nonlinear Conservation Laws

Nonlinear conservation laws are at the heart of many of the most important dynamical systems in science and engineering. In practical applications, such systems are often subject to various sources of uncertainty, e.g. due to sparse or noisy measurements. Inferring physical quantities and fields of interest then becomes an ill-posed problem which both classical numerical methods and modern deep learning-based methods struggle to treat appropriately. Recent work has framed classical numerical methods as Bayesian inference under Gaussian process priors, resulting in a physics-aware treatment of uncertainties. Following this line of work, we develop a novel numerically conservative method for uncertainty-aware simulations of nonlinear conservation laws. We use recent sparse approximation techniques to scale up to large-scale forward and inverse problems. For forward simulation, we inherit the accuracy of classical solvers while providing structured uncertainty quantification. On inverse problems, we recover posteriors over nonparametric source fields in seconds -- outperforming neural baselines that take minutes to produce a less accurate point estimate.

Tim Weiland, Philipp Hennig

T"{u}bingen AI Center, University of T"{u}bingen, T"{u}bingen, Germany

Uncertainty Quantification Bayesian Inverse Problems PDE Inverse Problems

May 28, 2026cs.LG

Deep Adaptive Dimension Reduction for Bayesian Inference in Inverse Problems

Solving high-dimensional PDE-governed inverse problems is often challenging due to complex non-Gaussian posterior distributions, expensive forward model evaluations, and misspecified prior information. To address these issues, we propose a deep adaptive dimension-reduction Bayesian inference framework based on the Variational Flow (VF) model. Since standard normalizing flows are restricted by bijective mappings and cannot directly reduce dimensions, VF overcomes this limitation by integrating VAE-based nonlinear dimension reduction with dual normalizing flows for the latent prior and encoder. This design provides a strictly higher evidence lower bound than VAE and allows more flexible approximation of complex posterior distributions. We further introduce an iterative prior updating strategy that gradually moves the prior mean toward high-probability posterior regions, avoiding manual prior tuning. These components form a closed adaptive loop together with an adaptively fine-tuned Fourier Neural Operator (FNO) surrogate: VF generates posterior-concentrated samples to refine the surrogate, while the updated surrogate further improves posterior inference. Numerical experiments on a 100-dimensional Rosenbrock problem and three standard PDE-governed inverse problems show that our method delivers competitive or superior accuracy compared with MCMC, UKI, and SVGD baselines across all tested configurations, with the most pronounced advantages emerging in challenging scenarios such as high-noise observations and high-dimensional parameter spaces.

Yueyang Wang, Xili Wang, Kejun Tang +3

School of Mathematical Sciences, Peking University · School of Sciences, Great Bay University · Department of Mathematics, Louisiana State University +1

Bayesian Inverse Problems Dimensionality Reduction PDE Inverse Problems

May 25, 2026stat.ML

Guided Flow Matching for Forward and Inverse PDE Problems with Sparse Observations: Algorithm and Theory

Reconstructing PDE solutions from sparse observations is a core challenge in scientific computing. We present FM4PDE, a flow-matching generative framework that learns the joint distribution of PDE coefficients (or initial states) and solutions (or final states), enabling both forward simulation and inverse recovery with limited paired data. At inference, sampling is guided by a composite loss that enforces agreement with sparse measurements and reduces the PDE residual; we support deterministic, stochastic, and hybrid samplers. We provide error guarantees for these guided procedures. For the deterministic optimizer, a coercivity condition ensures trajectory boundedness and a phase-wise contraction yields logarithmic complexity in the target accuracy. For the stochastic sampler, we introduce adaptive guidance and assume dissipativity of the velocity field to obtain uniform moment bounds independent of the noise-floor parameter. This leads to polynomial-time error bounds, and a matching lower bound shows constant guidance induces an unavoidable positive bias, motivating adaptivity. A hybrid deterministic-stochastic analysis is also provided. Experiments on static and time-dependent benchmark PDEs demonstrate competitive accuracy and faster inference than diffusion-based generative models.

Xifeng Zhang, Jin Zhao

School of Mathematical Science Capital Normal University Beijing, 100048, China · Academy for Multidisciplinary Studies Capital Normal University2026 Beijing, 100048, China

Flow Matching PDE Solving PDE Surrogate Modeling PDE Inverse Problems Inverse Problems Inference-Time Guidance

May 25, 2026cs.LG

PDEInvBench: A Comprehensive Dataset and Design Space Exploration of Neural Networks for PDE Inverse Problems

Inverse problems in partial differential equations (PDEs) involve estimating the physical parameters of a system from observed spatiotemporal solution fields. Neural networks are well-suited for PDE parameter estimation due to their capability to model function-to-function space transformations. While existing benchmarks of machine learning methods for PDEs primarily focus on the forward problem, there are no similar comprehensive studies and benchmark datasets on PDE inverse problems, i.e., mapping solution fields to underlying physical parameters. We fill this gap by introducing PDEInvBench, a comprehensive benchmark dataset consisting of numerical simulations for both time-dependent and time-independent PDEs across a wide range of physical behaviors and parameters. Our dataset includes evaluation splits that assess performance in both in-distribution and various out-of-distribution settings. Using our benchmark dataset, we comprehensively explore the design space of neural networks for PDE inverse problems along three key dimensions: (1) optimization procedures, analyzing the role of supervised, self-supervised, and test-time training objectives on performance, (2) problem representations, where we study the value of architectural choices with different inductive biases and various conditioning strategies, and (3) scaling, which we perform with respect to both model and data size. Our experiments reveal several practical insights: 1) neural networks perform best with a two-stage training procedure: initial supervision with PDE parameters followed by test-time fine-tuning using the PDE residual, 2) incorporating PDE derivatives as input features consistently improves accuracy, and 3) increasing the diversity of initial conditions in the training data yields greater performance gains than expanding the range of PDE parameters. We make our dataset and codebase publicly available.

Divyam Goel, Nithin Chalapathi, Sanjeev Raja +1

Department of Computer Science, UC Berkeley · Departments of Computer Science and Chemical EngineeringMay UC Berkeley; LBNL

Neural Network Optimization Synthetic Benchmark Generation Test-Time Training Physics-Informed ML PDE Inverse Problems

May 21, 2026cs.LG

Physics-Informed Generative Solver: Bridging Data-Driven Priors and Conservation Laws for Stable Spatiotemporal Field Reconstruction

Reconstructing continuous physical fields from sparse measurements is a central inverse problem, but data-driven generative models can produce states that violate governing dynamics. We introduce a physics-informed generative solver that separates stable prior learning from inference-time enforcement of conservation laws. Martingale-Regularized Score Matching regularizes score pretraining with a Score Fokker-Planck constraint, yielding a dynamically stable prior. Physics-Informed Implicit Score Sampling then guides denoising trajectories by gradients of physical residuals, projecting samples toward admissible manifolds without retraining. In acoustics, the method co-generates pressure and particle velocity from sparse sensors, enabling dense virtual arrays that suppress spatial aliasing. The same framework generalizes to real-world ERA5 meteorological fields under extreme sparsity. Together, this work establishes a rigorous and generalizable paradigm for solving high-dimensional inverse problems, bridging the gap between generative artificial intelligence and first-principles science.

Ziyuan Zhu, Keyu Hu, Zhifei Chen +10

School of Advanced Manufacturing Engineering, Nanjing University, Suzhou, 215163, China. · National Laboratory of Solid State Microstructures, Nanjing University, Nanjing, 210093, China. · Suzhou Acoustics Industry Technology Research Institute Co., Ltd., Suzhou, 215513, China. +8

Physics-Informed Generative Modeling Physics-Informed ML Score-Based Generative Modeling PDE Inverse Problems Inference-Time Guidance

May 19, 2026eess.IV

Diffusion Graph Posterior Sampling for Nonlinear Inverse Problems with Application to Electrical Impedance Tomography

Deep generative models have emerged as state-of-the-art for solving inverse problems, but applying them to inverse problems for PDEs, like electrical impedance tomography (EIT) remains challenging. Because physical domains are naturally discretized as unstructured meshes rather than regular grids, standard convolutional architectures are often inadequate. In this paper, we propose a novel framework that extends diffusion posterior sampling (DPS) to graph-structured data. We develop an unconditional score-based diffusion model directly on a 2D triangular mesh to learn an accurate prior over the physical solution space. Furthermore, we introduce a regularized variant, RDPS, which incorporates explicit regularization terms, such as total variation and generalized Tikhonov, to complement the implicit diffusion prior and mitigate severe ill-posedness. Extensive experiments on synthetic and real 2D EIT datasets demonstrate that RDPS produces stable, physically plausible reconstructions. Our approach generalizes well to out-of-distribution inclusion geometries, is highly robust to measurement noise, and outperforms current state-of-the-art solvers (e.g., GPnP-BM3D, DP-SGS) in reconstruction accuracy and artifact reduction.

Giovanni S. Alberti, Damiana Lazzaro, Serena Morigi +2

MaLGa Center, Department of Mathematics, University of Genova, Italy · Department of Mathematics, University of Bologna, Bologna, Italy · Department of Mathematics, Harbin Institute of Technology, China

Image Reconstruction Diffusion-Based Inverse Problems Diffusion Posterior Sampling PDE Inverse Problems Inverse Problems Graph Diffusion

May 19, 2026cs.CE

An End-to-End PyTorch Interface for Differentiable PDE Solvers: A RANS Model-Correction Study

This work presents an end-to-end strategy for solving inverse problems constrained by Partial Differential Equations within a fully differentiable Machine Learning framework. The proposed formulation provides a unified and user-friendly methodology applicable to a wide range of problems, from data assimilation to closure modeling. Our approach combines a baseline differentiable PDE solver, which predicts the state w from the nonlinear system

R(w) = 0

, with a generic additive, parametrized, and differentiable correction

f_φ(w)

, with trainable parameters

φ

. We show how to optimize phi within a fully differentiable Python workflow by reformulating the PDE as an implicit layer, enabling its integration into arbitrary objective functions, while leveraging PyTorch's automatic differentiation graph. The method is demonstrated on the Reynolds-Averaged Navier-Stokes equations for compressible flows, where the closure term, or a portion of it, is modeled using trainable parameters or a Neural Network. The first application considers the 2D NASA Wall-Mounted Hump test case, where a production-term parameter is optimized against time-averaged LES data. A second application is carried out on the VKI LS-59 turbine blade, where the Spalart-Allmaras eddy viscosity field is reconstructed through the optimization of a trainable spatial field. A dataset is generated starting from the VKI LS-59 turbine blade geometry using the differentiable BROADCAST solver with the Spalart-Allmaras turbulence model. The results highlight the flexibility of the framework, showing its applicability beyond turbulence modeling to a broader class of physics-informed PDE-constrained problems with data-driven components.

Luca Saverio, Michele Alessandro Bucci, Gianmarco Farro +2

MONHADE · Digital Sciences & Technologies Department, Safran Tech, Magny-Les-Hameaux, 78114, France. · DAAA, ONERA, Institut Polytechnique de Paris, Meudon, 92190, France. +1

PDE Solving Differentiable Optimization PDE Inverse Problems Computational Fluid Dynamics

May 16, 2026cs.AI

Harnessing AI for Inverse Partial Differential Equation Problems: Past, Present, and Prospects

Solving inverse partial differential equation (PDE) problems is a fundamental topic in scientific research due to its broad significance across a wide range of real-world applications. Inverse PDE problems arise across medical imaging, geophysics, materials science, and aerodynamics, where the goal is to infer hidden causes, design structures, or control physical states. In this paper, we provide a comprehensive review of recent advances in solving inverse PDE problems using artificial intelligence (AI). We first introduce the basic formulation, key challenges, and traditional numerical foundations of inverse PDE problems, and then organize it into three major categories: inverse problems, inverse design, and control problems. For each category, we further present a methodological paradigms, and review representative state-of-the-art approaches from recent years. We then summarize representative applications across scientific and industrial domains, including mechanical systems, aerodynamic problems, thermal systems, full-waveform inversion, system identification, and medical imaging. Finally, we discuss open challenges and future prospects, such as physics-informed architectures, limited real-world data, uncertainty quantification, and inverse foundation models. This survey aims to provide the first unified and systematic perspective on AI for inverse PDE problems, demonstrating how modern learning-based methods are reshaping inverse problems, inverse design, and control problems in PDE-governed systems.

Zhentao Tan, Yuze Hao, Boyi Zou +3

Collaborative Innovation Center of Artificial Intelligence (CCAI), Zhejiang University, China · School of Mathematical Sciences, Zhejiang University, China · Tsinghua University, China +1

Inverse Design PDE Inverse Problems

May 14, 2026math.NA

Amortized Energy-Based Bayesian Inference

We consider amortized Bayesian inference for nonlinear inverse problems in settings where only samples from the joint distribution of parameters and observations are available. Classical methods such as Markov chain Monte Carlo require solving a new inference problem for each observation, which can be computationally prohibitive when inference must be repeated many times. We propose a transport-based approach that learns an observation-dependent map pushing forward a reference measure to approximate the posterior distribution. The map is trained by minimizing an averaged energy-distance objective between the true posterior and the learned pushforward. This formulation is likelihood-free, requiring only joint samples, and avoids density evaluation, invertibility constraints, and Jacobian determinant computations. For function-space inverse problems with Gaussian priors, we parameterize the transport map as the identity plus a perturbation in the Cameron-Martin space of the prior, preserving absolute continuity with respect to the prior. In infinite-dimensional settings, the map is represented using neural operators. We illustrate the method on a finite-dimensional nonlinear inverse problem and two PDE-constrained inverse problems arising in porous medium flow and seismic inversion. The results show that the learned transport captures posterior structure, including multimodality and dominant modes, while enabling fast posterior sampling for new observations.

Hojjat Kaveh, Ricardo Baptista, Andrew M. Stuart

California Institute of Technology · University of Toronto

Amortized Inference Bayesian Inverse Problems PDE Inverse Problems

May 13, 2026cs.LG

Di-BiLPS: Denoising induced Bidirectional Latent-PDE-Solver under Sparse Observations

Partial differential equations (PDEs) are fundamental for modeling complex natural and physical phenomena. In many real-world applications, however, observational data are extremely sparse, which severely limits the applicability of both classical numerical solvers and existing neural approaches. While neural methods have shown promising results under moderately sparse observations, their inference efficiency at high resolutions is limited, and their accuracy degrades substantially in the extremely sparse regime. In this work, we propose the Di-BiLPS, a unified neural framework that effectively handle both forward and inverse PDE problems under extremely sparse observations. Di-BiLPS combines a variational autoencoder to compress high-dimensional inputs into a compact latent space, a latent diffusion module to model uncertainty, and contrastive learning to align representations. Operating entirely in this latent space, the framework achieves efficient inference while retaining flexible input-output mapping. In addition, we introduce a PDE-informed denoising algorithm based on a variance-preserving diffusion process, which further improves inference efficiency. Extensive experiments on multiple PDE benchmarks demonstrate that Di-BiLPS consistently achieves SOTA performance under extremely sparse inputs (as low as 3%), while substantially reducing computational cost. Moreover, Di-BiLPS enables zero-shot super-resolution, as it allows predictions over continuous spatial-temporal domains.

Zhonghao Li, Chaoyu Liu, Qian Zhang

School of Science, Harbin Institute of Technology, Shenzhen, China · Department of Theoretical Physics and Applied Mathematics, University of Cambridge, Cambridge, United Kingdom

Neural PDE Solvers Latent Diffusion Models PDE Solving Diffusion-Based Inverse Problems Diffusion Model Inference Acceleration PDE Inverse Problems

May 13, 2026cs.LG

Local Inverse Geometry Can Be Amortized

Nonlinear inverse problems often trade inexpensive but fragile first-order updates against curvature-aware methods such as Gauss-Newton and Levenberg-Marquardt, which obtain stronger directions by repeatedly solving Jacobian-based linearized systems. We propose a learned alternative: amortize local inverse geometry into a reusable reverse operator. Our framework learns a bidirectional surrogate, Deceptron, and deploys it through D-IPG (Deceptron Inverse-Preconditioned Gradient), an iterative solver that pulls residual-corrected measurement-space proposals back to latent space. The key mechanism is a Jacobian Composition Penalty (JCP), which trains the reverse Jacobian to act as a local left inverse of the forward Jacobian; its runtime counterpart, RJCP, measures the same inverse-consistency error along optimization trajectories. We prove that D-IPG is first-order equivalent to damped Gauss-Newton under local pseudoinverse consistency, with deviation controlled by composition error and conditioning. Across seven PDE inverse-problem benchmarks, D-IPG outperforms standard baselines, achieves 94.8% mean success across the six-problem reliability suite, and reaches comparable or better recovery quality at up to 77x lower inference-time solve cost on the main benchmarks.

Aaditya L. Kachhadiya

Independent Researcher Surat, India

Neural Surrogate Modeling Inference-Time Optimization Amortized Inference Learning to Optimize PDE Inverse Problems

May 11, 2026physics.geo-ph

Total Generalized Variation regularization closes the gap between neural-eld and classical methods in seismic travel-time tomography

Travel-time tomography forces a trade-off between mesh resolution and stability in which the regularizer choice dominates what can be recovered. We introduce MIMIR, a differentiable framework that represents the 2D velocity field as a Fourier-feature neural network, replacing the grid-based slowness vector with a continuous, infinitely differentiable function. Prior neural-field tomography has staircased smooth fields under total-variation (TV) priors or oscillated near interfaces under

L^2

Laplacian smoothing. We adopt second-order total generalized variation (TGV

^2

) and parametrize its auxiliary vector field as a second neural network jointly optimized with the velocity field, eliminating the inner Chambolle-Pock primal-dual loop that classically dominates TGV computation. On three synthetic benchmarks (Gaussian, horizontally layered, curved-fault inspired by OpenFWI) using cross-well acquisition, 5% travel-time noise, and five seeds, MIMIR-TGV

^2

ties a classical FMM-LSMR baseline with auto-tuned hyperparameters on the Gaussian (

p=0.134

, paired

t

-test) and significantly outperforms it on layered (

p<0.0001

, 44% RMSE reduction) and curved-fault (

p=0.0002

, 33% reduction). Replacing TGV

^2

with TV degrades performance on Gaussian (

p=0.004

) and layered (

p=0.003

); curriculum-annealed TV improves Gaussian RMSE by only 5.4%, confirming that TV's staircase bias is intrinsic to the regularizer rather than a scheduling artifact. The results empirically validate the Bredies-Kunisch-Pock prediction that piecewise-affine priors are better suited to subsurface velocity recovery than piecewise-constant TV priors. We argue that the central design choice in physics-informed neural-field inversion is not the network architecture but the regularizer. The full pipeline reproduces in under one hour on consumer hardware.

Isao Kurosawa

IVXA, Japan.

Seismology PDE Inverse Problems Inverse Problems

May 8, 2026physics.geo-ph

Functional-prior-based approaches to Bayesian PDE-constrained inversion using physics-informed neural networks

Physics-informed neural networks (PINNs) provide a mesh-free framework for solving PDE-constrained inverse problems, but their extension to Bayesian inversion still faces a fundamental difficulty: prior distributions are typically defined in the weight space of neural networks, whereas physically meaningful prior assumptions are more naturally expressed in function space. In this study, we introduce a unified framework, termed functional-prior-based approaches to Bayesian PDE-constrained inversion using physics-informed neural networks (fpBPINN), to incorporate functional priors into Bayesian PINN-based inversion. We consider two complementary approaches. The first is a functional-prior-informed Bayesian PINN (FPI-BPINN), in which a neural network weight prior is learned to be consistent with a prescribed functional prior, and Bayesian inference is subsequently performed in weight space. The second is function-space particle-based variational inference for PINNs (fParVI-PINN), which performs Bayesian estimation using ParVI directly in function space. We also show that random Fourier features (RFF) play an important role in representing Gaussian functional priors with neural networks and in improving posterior approximation. We applied the proposed approaches to one-dimensional seismic traveltime tomography and two-dimensional Darcy-flow permeability inversion. These numerical experiments showed that both approaches accurately estimated posterior distributions, highlighting the significance of introducing physically interpretable functional priors into Bayesian PINN-based inverse problems. We also identified the contrasting advantages of FPI-BPINN and fParVI-PINN, namely flexibility and accuracy, respectively.

Ryoichiro Agata, Tomohisa Okazaki

Japan Agency for Marine-Earth Science and Technology, Japan · Disaster Prevention Research Institute, Kyoto University, Japan · RIKEN Center for Advanced Intelligence Project, Japan

Bayesian Inverse Problems Physics-Informed ML Variational Inference PDE Inverse Problems

May 5, 2026cs.LG

PerFlow: Physics-Embedded Rectified Flow for Efficient Reconstruction and Uncertainty Quantification of Spatiotemporal Dynamics

Reconstructing PDE-governed fields from sparse and irregular measurements is challenging due to their ill-posed nature. Deterministic surrogates are trained on dense fields that struggle with limited measurements and uncertainty quantification. Generative models, by learning distributions over spatiotemporal fields, can better handle sparsity and uncertainty. However, existing generative approaches enforce data consistency and PDE constraints simultaneously via sampling-time gradient guidance, resulting in slow and unstable inference. To this end, we propose PerFlow, a Physics-embedded rectified Flow for efficient sparse reconstruction and uncertainty quantification of spatiotemporal dynamics. PerFlow decouples observation conditioning from physics enforcement, performing guidance-free conditioning by feeding observations into rectified-flow dynamics while embedding hard physics via a constraint-preserving projection (e.g., incompressibility or conservation). Theoretically, we establish invariance guarantees to ensure that trajectories remain on the physics-consistent manifold throughout sampling. Experiments on various PDE systems demonstrate competitive reconstruction accuracy with sound physics consistency, while enabling efficient conditional sampling (e.g., 50 steps) and up to 320x faster inference than 2000-step guided diffusion baselines.

Hao Zhou, Rui Zhang, Han Wan +1

Gaoling School of Artificial Intelligence, Renmin University of China

Physics-Informed Generative Modeling Uncertainty Quantification Rectified Flow Generative Modeling Physics-Informed ML Flow-Based Generative Modeling+1

Apr 26, 2026cs.LG

Learning Interpretable PDE Representations for Generative Reconstructions with Structured Sparsity

Scientific measurements are often bottlenecked by suboptimal conditions, whether that be noise, incomplete spatial coverage, or limited resolution, rendering accurate field reconstruction a difficult task. We introduce LatentPDE, a latent diffusion framework designed to simultaneously resolve sparse-observation reconstruction and super-resolution. While existing physics-guided diffusion models typically rely on soft loss penalties or uninterpretable representations, our approach enforces physical compliance by constructing an inherently interpretable latent space. Specifically, we parameterize the latent variables directly as the coefficients and source terms of an assumed governing PDE. In doing so, LatentPDE is able to reliably reconstruct dynamics across highly disparate and structured data gaps. Empirical results on diverse configurations demonstrate that our model achieves high-fidelity recovery at any desired resolution while also tracking the underlying predictive uncertainty.

Valerie Tsao, Nathaniel Chaney, Manolis Veveakis

Department of Civil & Environmental Engineering, Duke University, NC, USA.

Physics-Informed Diffusion Models Sparse Recovery Latent Diffusion Models Physics-Informed ML Diffusion-Based Inverse Problems PDE Inverse Problems+1

Apr 18, 2026cs.LG

Uncertainty Quantification in PINNs for Turbulent Flows: Bayesian Inference and Repulsive Ensembles

Physics-informed neural networks (PINNs) have emerged as a promising framework for solving inverse problems governed by partial differential equations (PDEs), including the reconstruction of turbulent flow fields from sparse data. However, most existing PINN formulations are deterministic and do not provide reliable quantification of epistemic uncertainty, which is critical for ill-posed problems such as data-driven Reynolds-averaged Navier-Stokes (RANS) modeling. In this work, we develop and systematically evaluate a set of probabilistic extensions of PINNs for uncertainty quantification in turbulence modeling. The proposed framework combines (i) Bayesian PINNs with Hamiltonian Monte Carlo sampling and a tempered multi-component likelihood, (ii) Monte Carlo dropout, and (iii) repulsive deep ensembles that enforce diversity in function space. Particular emphasis is placed on the role of ensemble diversity and likelihood tempering in improving uncertainty calibration for PDE-constrained inverse problems. The methods are assessed on a hierarchy of test cases, including the Van der Pol oscillator and turbulent flow past a circular cylinder at Reynolds numbers Re=3,900 (direct numerical simulation data) and Re = 10,000 (experimental particle image velocimetry data). The results demonstrate that Bayesian PINNs provide the most consistent uncertainty estimates across all inferred quantities, while function-space repulsive ensembles offer a computationally efficient approximation with competitive accuracy for primary flow variables. These findings provide quantitative insight into the trade-offs between accuracy, computational cost, and uncertainty calibration in physics-informed learning, and offer practical guidance for uncertainty quantification in data-driven turbulence modeling.

Khemraj Shukla, Zongren Zou, Theo Kaeufer +2

Division of Applied Mathematics, Brown University, Providence, RI, USA · Department of Computing and Mathematical Sciences, California Institute of Technology, Pasadena, CA, USA · Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA

Uncertainty Quantification Deep Ensembles Physics-Informed ML Uncertainty Calibration PDE Inverse Problems Computational Fluid Dynamics