Mohammad Kian Golkar, Luciano Alves de Oliveira, Mohammad Khanjanics.LG physics.ao-ph
High-resolution precipitation nowcasting is critical for reducing the impacts of severe weather but remains difficult because of rapid storm evolution. Deep learning models have shown great promise for this task, but their predictive skill often deteriorates over longer forecast horizons. This leads to increasingly blurry forecasts that fail to capture the complex, non-linear evolution of storm systems. In order to address these limitations, we introduce Spatio-Temporal U-DeepONet (GenONet), a novel architecture for long-range precipitation forecasting up to 3 hours, specifically designed to produce sharp and physically consistent results. GenONet's architecture pioneers the use of a Deep Operator Network (DeepONet) as a generator within a Generative Adversarial Network (GAN) framework for this task. The DeepONet learns the continuous-time dynamics of precipitation, ensuring stability over long forecast horizons. Adversial training against a spatio-temporal discriminator compels the model to produce sharp, coherent forecasts, while a physics-informed loss regularizer, derived from the Moisture Conservation Equation, improves physical plausibility in our ablation setting. Quantitative evaluations show that our model achieves consistently higher scores on most of the metrics, especially for highintensity events and at longer lead times. Qualitatively, GenONet produces structurally coherent forecasts that maintain their integrity, whereas baseline models degrade into indistinct patterns. Finally, an ablation study confirms the benefit of this physics-informed loss, highlighting the strength of combining operator learning with adversarial training.
Muhammad Abid, Arth Sojitra, Omer Sanphysics.flu-dyn cs.LG
Operator-learning surrogates have been benchmarked largely on single-field, single-interface problems, leaving unclear whether architectural choices validated in those settings transfer to constrained, multiphase flows. We introduce a three-phase interfacial-flow benchmark to examine whether the trunk coordinate representation matters for a multi-channel, interface-dominated target. The configuration consists of an air bubble rising through water, piercing a water-oil interface, and entraining a water plume into the oil within a bounded, wall-confined domain. Reference data are generated using a structure-preserving ternary Cahn-Hilliard-Navier-Stokes solver that algebraically preserves the simplex constraint. From 1,024 Sobol-sampled simulations spanning a nine-dimensional parameter space, we learn the mapping from physical parameters to five-channel space-time fields. We compare three parameter-matched DeepONet variants differing only in trunk representation: raw coordinates (DeepONet), random Fourier features (FEDONet), and a fixed tensor-product Chebyshev dictionary (SEDONet). SEDONet reduces the test relative L2 error by 16.8% compared with FEDONet and by 24.0% compared with DeepONet, while improving all five output channels. Spatial and temporal error analyses localize the principal gains near the diffuse interfaces and after bubble breakthrough. The results indicate that the Chebyshev representation is particularly effective for the strongly non-periodic wall-normal and temporal structure of this three-phase flow.
Nathanael Bosch, Niklas Frederik Schmitz, Michael F. Herbstcs.LG cond-mat.mtrl-sci physics.comp-ph
Fourier neural operators (FNOs) provide an efficient framework for learning mappings between function spaces as they are, by construction, independent of the grid resolution at which they are trained and evaluated. However, FNOs are not independent of the periodic domain they are applied to: their discrete spectral weights are indexed by integer Fourier mode numbers, which correspond to physical wavevectors. When applied to a different domain, the same trained weights act at different wavevectors, and the FNO silently represents a different operator. This makes FNOs unsuitable for tasks where transfer across domains is crucial. We propose Euclidean Fourier neural operators~(EFNOs) as a domain-independent alternative to FNOs. By parameterizing the spectral kernel as a continuous function of the physical wavevector, the EFNO can learn operators that act consistently across periodic domains of varying shape and size. We evaluate the EFNO on a simple heat equation and on a practically relevant materials science task of learning exchange-correlation potentials across different crystal structures, and demonstrate that the EFNO is able to generalize to unseen grid sizes and domains.
Operator learning in scientific machine learning is concerned with approximation of maps between infinite-dimensional function spaces; such maps frequently arise as the solution operators of partial differential equations (PDEs). Neural operators have demonstrated broad empirical success at approximating such maps from data. However, most existing neural operator architectures enforce boundary conditions indirectly through training from data even though the boundary condition is often known exactly. Furthermore, existing modifications and approaches that do enforce boundary conditions explicitly suffer from impractical restrictions, including boundary smoothness, uniform grids, and separable, box-like domains. In this work, we propose an architecture which, independently of training, satisfies homogeneous Dirichlet boundary conditions, whilst simultaneously retaining the expressivity of existing kernel-integral neural operator architectures. This is achieved by enforcing the property that the output of each layer is contained in the span of a subset of the homogeneous Dirichlet eigenfunctions of the Laplacian on the output domain. The method requires only that the output domain be bounded with Lipschitz boundary and places no restriction on the choice of discretization, making it applicable to arbitrary mesh data and general geometries. We prove universal approximation for the resulting architecture; furthermore the approach we adopt in the analysis proves universality for a broad class of kernel-integral neural operators thereby uniting existing theory for a variety of operator learning methods. We validate the proposed method on maps defined by the coefficient to solution map in 2D PDEs: Darcy flow on a square domain and the Helmholtz equation on a circular domain. Comparisons are made with alternative methods.
Branden Frieden, Ryan Whitehead, M. Keith Ballard +2cs.LG math.NA
We present a natively multiscale operator learning method for the surrogate modeling of (numerical solvers for) multiscale partial differential equations (PDEs). The primary novelty of our method lies in a novel multiscale kernel frame function approximation technique. Leveraging this new kernel frame technique, we cast the operator learning problem as one of learning frame coefficients of output functions as a function of frame coefficients of input functions. The generalization step then automatically allows for a multiscale decomposition of the output functions. Our method is applicable to both tensor-product grids and point clouds. We present interpolation proofs, error estimates, and numerical convergence rates for our frame approximation. We the demonstrate the applicability of our method for the surrogate modeling of inherently multiscale PDEs. The new multiscale frame kernel method is significantly more accurate than popular neural operators on challenging problems from the literature, while simultaneously admitting an a posteriori multiscale decomposition upon generalization.
Arunav Kumar, Cesar Clauser, Theodore Golfinopoulos +5physics.plasm-ph math-ph stat.ML
In this work, we investigate rapid prediction of the dominant $n{=}0$ vertical instability growth rate in C-Mod and SPARC equilibria, where nonrigid free boundary response models are too slow for control cycle use. Using a Physics Attention Transformer trained on MEQ-FGE-L labels, we predict both the scalar growth rate and the associated two dimensional perturbed toroidal current density. We find mean absolute errors of 5.4~s$^{-1}$ on held out C-Mod equilibria and 12.7~s$^{-1}$ on synthetic SPARC cases, with spatial eigenfunction errors near 5\%. We also compared PAT with operator based ML models : FNO2D and DeepONet, where we found PAT predicts a much lower normalised growth rate error and improved spatial reconstruction. These results indicate that PAT can reproduce MEQ-FGE-L outputs at control relevant latency and could support future studies of growth rate headroom monitoring and proximity aware shape control.
The Solar wind is a continuous flow of charged particles emanating from the solar surface and governed by complex, interacting magnetohydrodynamic processes. Accurate specification of inner-boundary conditions is essential for heliospheric modeling and solar-wind prediction. In many practical applications, only a subset of interacting multi-field variables is directly available, but for a comprehensive view of solar wind prediction and downstream magnetohydrodynamic simulations, a more complete boundary state is required. In this work, we study the problem of learning the multi-field multi-scale solar magnetohydrodynamic state at 30 solar radii ($R_\odot$) using operator learning. Specifically, given the radial velocity and radial magnetic field, we aim to reconstruct the non-radial velocity and magnetic field components, radial and non-radial current density, thermodynamic density, and pressure components. This mapping is highly nonlinear, spatially coupled, and multi-scale, making it a challenging task for data-driven scientific machine learning. To address this problem, we employ a Local Neural Operator (LocalNO) that learns mappings between input and output function spaces while retaining locality and resolution-awareness. Unlike conventional regression models and autoencoder models, neural operators are better suited for learning structured field-to-field transformations arising from physical systems. The resulting predictions along with inputs are intended to serve as boundary condition variables for future inner-heliospheric modeling pipelines.
Creating symbolic operators by hand is one of the main bottlenecks in deploying Task and Motion Planning systems (TAMP). Recent works show that these operators can instead be learned directly from demonstration data. Existing methods, however, typically learn each action in isolation and cannot capture the recurring multi-step structure of manipulation tasks, so the search becomes intractable on long sequential tasks. A further inefficiency arises in the symbolic state: every provided predicate is evaluated at every search node, even when it never appears in any learned operator. We present a system that addresses both problems together. Its central component is the automatic generation of macro-operators, composite actions that compress a recurring sequence of individual actions into a single planning step. Our system discovers causally linked action pairs directly from the training data, where one action produces exactly the condition that the next one requires, and turns each pair into a new operator. Alongside this, our system prunes every predicate that no learned operator references, which shrinks the symbolic state evaluated at each search node. Together, these changes shorten the effective planning horizon, and the benefit they bring grows with the length of the task. Across four TAMP domains, our method reaches up to a 4.6x planning speedup compared to the baseline method, namely Learning Operators for TAMP. More importantly, it solves a long sequential task that the baseline cannot solve. Macro-operator discovery thus not only accelerates planning but, in certain domains, determines solvability in practice.
This study demonstrates a rationally enriched Chebyshev (REC) trunk for deep operator network (DeepONet) surrogate models of singularly perturbed and high-Péclet transport problems whose solution profiles are characterized by thin localized boundary or wall layers. The REC trunk combines Chebyshev polynomial dictionary elements with rational dictionary elements constructed using the adaptive Antoulas-Anderson (AAA) algorithm. Over five independent training runs, the resulting REC-trunk DeepONet is evaluated against a vanilla DeepONet and a Chebyshev-trunk DeepONet whose prescribed dictionary consists only of Chebyshev polynomials across three problems whose singular perturbation parameters are diffusion-to-advection ratios: a singularly perturbed scalar boundary-value problem (BVP), the thermal entrance problem with a prescribed wall temperature, and the concentration entrance problem with an absorbing wall. Across the held-out test profiles, the REC-trunk DeepONet improves over the vanilla DeepONet and remains comparable to the Chebyshev-trunk DeepONet in predicting the scalar profile, with its clearest advantage over the Chebyshev-trunk DeepONet appearing when the perturbation parameter lies between $1.00\times10^{-4}$ and $1.78\times10^{-4}$, where it reduces the profile-error metrics by up to $19.5\,\%$ relative to the Chebyshev-trunk DeepONet. In predicting the wall-normal temperature and concentration profiles, the REC-trunk DeepONet reduces the profile-error metrics by up to $60.2\,\%$ and $32.2\,\%$ relative to the vanilla and Chebyshev-trunk DeepONets, respectively, while suppressing artificial near-wall oscillations as the Péclet or mass-transfer Péclet number ranges from $10^{2}$ to $10^{4}$.
Suyi Gao, Mo Zhou, Rongjie Laimath.OC cs.LG eess.SY
Stochastic mean-field control (MFC) provides a fundamental framework for coordinating large populations of interacting agents under uncertainty, with a wide range of applications. Existing numerical and deep-learning methods solve one MFC problem instance at a time and must be re-optimized whenever the task changes. In this work, we formulate stochastic MFC as an operator-learning problem and develop, to the best of our knowledge, the first mesh-free, self-supervised neural operator for stochastic MFC. The main challenge is that the diffusion term in the controlled Fokker--Planck equation precludes deterministic transport-map representations. We address this challenge by combining the probability-flow ODE with an invertible normalizing-flow-based transformer, which recasts the dynamics as a deterministic continuity equation and enables closed-form score evaluation through the exact inverse and analytical log-determinant of the normalizing flow, with $\mathcal{O}(d)$ cost per particle for networks of fixed size. Through transformer-based in-context learning, task prompts, represented by compact distribution parameters or raw particle clouds, condition the transport map, enabling a single pretrained operator to solve unseen tasks in one forward pass. The resulting \emph{Normalizing Flow Invertible Solution Transformer} (NFIST) is trained end-to-end by minimizing the stochastic control objective directly, requiring no precomputed numerical solutions for training. We further prove the consistency of the proposed operator-learning formulation with task-by-task optimization. Numerical experiments on stochastic optimal control, Schrödinger bridge, systemic-risk control, and obstacle-avoiding path planning demonstrate effective zero-shot generalization while substantially reducing the computational cost of solving large families of stochastic MFC problems.
Deep operator networks can become statistically unstable when partial differential equation inputs are observed at thousands of strongly correlated sensors but only a small number of operator samples is available. We introduce FAST-DeepONet, a branch representation combining a fixed spectral path with a regularized projection of the orthogonal residual, in which the directional penalty acts on the effective residual map after each of its rows is normalized. On Navier--Stokes flow a plain DeepONet degrades from $0.0394$ to $0.1556$ mean relative $L_2$ error as the branch grows from $129$ to $8193$ coordinates, while FAST-DeepONet stays near $0.04$, so the sensor grid can be refined without a statistical penalty. Across independent test sets for Navier--Stokes flow, Darcy flow, and signed terminal wavefield prediction it lowers mean relative $L_2$ error by $4.7\%$ to $37.0\%$ with three to seven times fewer trainable parameters. A spectral-only branch sharing the same basis separates the two paths: the fixed spectral path carries the improvement on Navier--Stokes and Darcy, while terminal wave prediction requires the residual path together with its directional penalty. FAST-DeepONet targets coordinate-query architectures and trains on solution values alone.
Adrien Weihs, Chunyang Liao, Jingmin Sun +1cs.LG math.ST stat.ML
Learning mappings between infinite-dimensional objects is a central challenge in scientific machine learning. We introduce a general kernel-based encoder-decoder framework for operator learning that separates observation, representation, learning, and reconstruction. We develop this framework for multi-input, multi-output operator learning, where operators map between products of potentially distinct function spaces. Our approximation theory shows that, although the number of inputs and outputs can increase, the convergence rate is governed by the most challenging constituent approximation problem rather than the overall problem dimension. The framework leads to practical kernel methods with closed-form training and inference, combining mathematical tractability with computational efficiency. We further specialize the approach to multiple operator learning by introducing KernelMO, a family of kernel methods with complementary operator-valued and product-space formulations. Across five families of parametric partial differential equations, the proposed methods achieve competitive or state-of-the-art predictive accuracy while reducing training and inference costs relative to neural operator architectures and deep learning based models, offering an efficient and lightweight alternative.
A multiplicative dual-encoder network computes a real-valued output for a pair of inputs as the inner product of their separate encodings. This architecture has been developed independently in operator learning, bipartite matching, contrastive vision-language models, retrieval, and other areas, yet no unified theory guides the basic design decisions: how many interaction modes to represent, how to normalize the encoders, and when the architecture should be avoided. We provide such a foundation by introducing the class of functions of low interaction rank, a class whose intrinsic complexity is measured by its interaction spectrum. Within this framework, approximation error decomposes into a spectral truncation term and an encoder-realization term; sample complexity is governed by the sum of the two encoder complexities rather than their product; and a usability criterion based on spectral decay determines when the architecture can succeed. The same framework exposes a central identifiability problem: the encoders are defined only up to a linear gauge symmetry that leaves the learned coordinates arbitrary. We show that normalization is gauge fixing and that whitening pins the interaction modes up to permutation and sign, thereby explaining the uninterpretability of contrastive dimensions and providing a constructive remedy. Experiments on synthetic kernels, operator learning, and CLIP models validate the theoretical predictions: spectral decay rates match the predicted scaling, whitening recovers the true modes, and independently trained CLIP models are related by a single rotation which, after removal by whitening, exposes interpretable concept axes. The code of this paper is provided at https://github.com/RS2002/Mul-Net .
Modeling spatiotemporal dynamical systems governed by partial differential equations (PDEs) poses two major challenges: it either requires expensive physics-based simulators that entail iterative numerical solving at high computational cost, or it depends on abundant training data, yet purely data-driven models often generalize poorly to downstream dynamic operating conditions. We propose DEFT, a frequency-domain data sampling method that identifies the dominant Fourier modes of a physical system and systematically varies the corresponding amplitudes and phases to generate physically consistent training data via the inverse discrete Fourier transform. In addition, we derive a generalization bound of this method. We note that it also provides a theoretically principled criterion for selecting $K$. We evaluate the proposed method through three sets of experiments, each targeting a distinct aspect of its utility. First, we validate the framework on canonical PDEs solving demonstrating that it outperforms traditional methods when the system is dominated by a few prominent frequency components. Second, we employ DEFT as a data-value filter on the diffusion--sorption and Burgers equations of PDEBench, showing that it reduces data requirements by $40\%$ while sacrificing less than $2\%$ in predictive accuracy. Third, to evaluate DEFT for more challenging and practically relevant problems, we validate it in the battery degradation PDE system, achieving consistently high predictive accuracy across various test datasets with $R^2$ values exceeding $0.99$. Moreover, the learned frequency-domain features transfer to other battery chemistries with only $20\%$ of the fine-tuning data. These results demonstrate that DEFT is an effective data-sampling method for efficient operator learning.
Petr Badolia, Leonid Obukhov, Dmitry Bylinkin +1cs.CE cs.LG
Operator learning is a rapidly advancing area of computational science. It is particularly well suited to problems where a partial differential equation (PDE) must be solved repeatedly under varying physical configurations. Most existing architectures represent the solution operator in a fixed basis. While this assumption is well aligned with global structures, it is less suitable for phenomena governed by local interactions in physical space. We explore an alternative perspective motivated by the observation that the continuum limit of coupled oscillator systems can describe a broad class of PDEs. Building on this idea, we introduce the Kuramoto Neural Operator (KNO), which represents the solution through the evolution of a latent field of interacting oscillators. Across a diverse collection of PDE benchmarks, KNO achieves strong predictive performance, with improvements over competing approaches. Our experimental evaluation also includes an extensive ablation study that quantifies the contribution of each architectural component incorporated into KNO. Furthermore, we show that the model's prediction error is closely linked to the collective dynamics of the latent oscillators. It varies systematically with their degree of synchronization, providing insights into the underlying mechanisms.
Forward uncertainty propagation in complex physical systems can induce structured covariance across field-valued outputs. For a probabilistic surrogate, the total predictive covariance comprises the covariance of conditional means across input realizations and the average conditional predictive covariance. Probabilistic DeepONet (Prob-DeepONet) provides lightweight uncertainty quantification by predicting pointwise Gaussian means and variances in a single forward pass, but its conditional predictive covariance is restricted to a diagonal form. To represent cross-location conditional dependence without explicitly parameterizing a full high-dimensional covariance matrix, we develop a two-step mean-variance DeepONet (two-step MV-DeepONet) through two principal modifications. First, two-step training is used to decouple output-basis learning from the input-to-coefficient mapping, together with basis orthogonalization and subspace rotation. Second, Gaussian probabilistic modeling is transferred from the high-dimensional physical output space to the low-dimensional rotated coefficient space. Mapping these probabilistic coefficients through the shared basis induces a generally non-diagonal conditional predictive covariance in the physical output space while retaining single-pass inference. A Frobenius-norm error decomposition and corresponding upper bound identify low-rank covariance compressibility, trunk-subspace approximation, finite-sample statistical error, and coefficient-space covariance estimation as the principal factors governing covariance recovery. Numerical experiments on three representative problems governed by partial differential equations (PDEs) and a hypersonic blunt-body aerothermal problem show improved generalization, more structured uncertainty bands, and accurate recovery of off-diagonal correlation patterns compared with Prob-DeepONet.
Khemraj Shukla, George Em Karniadakiscs.LG math-ph math.GN
Deep Operator Networks (DeepONets; arXiv:1910.03193) typically encode an input function through point values on a fixed discretization. Building on the Topological DeepONet framework of Ismailov (arXiv:2603.11972), we replace point samples by continuous linear functionals drawn from the continuous dual of a Hausdorff locally convex space $({V},\{p_α\}_{α\in A})$, whose topology is generated by a point-separating family of seminorms rather than a single norm, and develop fixed and adaptive functional measurement systems. Measurements are combined with the coefficient-space Two-Step procedure of Lee and Shin (arXiv:2309.01020), while a training-only decoder and regularization stabilize the adaptive coordinates. We derive a discrete error decomposition separating measurement, output-basis, and neural-approximation errors, together with a Barron-rate refinement. The framework is evaluated on the antiderivative operator, a non-normable locally convex input space, heterogeneous Darcy flow, a controlled operator, and fixed-time and time-evolving Navier-Stokes vorticity operators. In the heterogeneous Darcy problem, the functional models retain nearly resolution-independent errors of 5.5-5.6% on unseen grids, while in the controlled problem adaptive measurements reduce the mean error below 1.2%. For the fixed-time Navier-Stokes problem, the Adaptive Topological DeepONet is the most accurate DeepONet-based model, attaining a mean relative $L^2$ error of 1.685% +/- 0.017% using 128 functional coordinates. A comparably sized Fourier neural operator (FNO; arXiv:2010.08895) achieves the lower error 0.832% +/- 0.172%, but requires the full 64x64 input field, twice the training time, and 10.7x greater peak GPU memory. The formulation provides compact, interpretable, and discretization-portable coordinates in the continuous dual $V'$, including for non-normable input spaces.
Minjee Seo, Haris Ghafoor, Minju Seol +2cs.LG math.NA
Transcranial focused ultrasound (tFUS) requires accurate estimation of the intracranial acoustic field, which is distorted by skull-induced aberrations. Numerical solvers are accurate but computationally expensive for digital twins, where the field must be re-estimated repeatedly as treatment conditions change. Existing deep-learning surrogates are fast but typically use voxel-to-voxel regression on a fixed grid, with no mechanism reflecting how acoustic energy propagates through the skull. We instead cast tFUS simulation as an operator learning problem and propose tFUSOperator, a coordinate-aware neural operator that maps the free-field pressure, skull anatomy, and treatment parameters to the intracranial field within a shared physical coordinate frame. To our knowledge, this is the first operator-based formulation of tFUS field prediction. On both seen and unseen skulls, the model localizes the acoustic focus accurately-reaching about 90% and 72% Dice, respectively-and it performs nearly as well from magnetic resonance (MR) as from computed tomography (CT) input while running $5.6 \times 10^4$ times faster than numerical simulation. These results suggest a fast, radiation-free route to safe and practical digital twins for patient-specific tFUS treatment. The code is available at: https://github.com/CMME-Lab/tFUSOperator.git.
This paper proposes a novel physics-guided spectral deep operator network, termed SpectONet, for solving Euler-Bernoulli beam (EBB) vibration problems. The proposed framework integrates the operator-learning capability of DeepONet with physics-informed constraints and Chebyshev-Gauss-Lobatto (CGL) sensor placement. Unlike conventional DeepONet frameworks, which commonly employ uniformly distributed sensors, SpectONet uses nonuniform spectral sensor locations with a higher concentration of points near the domain boundaries. This sampling strategy improves the finite-dimensional representation of boundary-sensitive structural responses while requiring only a limited number of branch-network inputs. The governing beam equation, together with the associated initial and boundary conditions, incorporated into the training objective to promote physically consistent and generalizable predictions. Numerical experiments on three synthetic EBB vibration problems and a real-world bridge vibration dataset demonstrate the effectiveness of the proposed framework. Comparisons with strong baselines such as, Vanilla DeepONet, PI-DeepONet, PINN, and CNN-UNet show that SpectONet consistently achieves lower prediction errors across all considered evaluation metrics. In particular, SpectONet achieves at least \(64\%\) improvement over the considered baseline models across the three synthetic problems and at least \(37\%\) for the real-world problems. These results demonstrate that SpectONet provides an accurate, computationally efficient, and physically consistent operator-learning framework for structural vibration analysis.
Ingvild Askim Adde, Mary M. Maleckar, Gabriel Balabancs.LG physics.comp-ph
In this study, we introduce latent PDE mapping, a broadly applicable physics-informed learning technique designed to enable efficient geometric generalization with sparse training data. Latent PDE mapping pulls back geometry-specific PDE residuals and boundary conditions to a predefined latent geometry via the deformation gradient, thereby enabling the automated calculation of geometry-consistent shape gradients that are missing in conventional physics-informed machine learning formulations. We demonstrate the utility of latent PDE mapping in solving the anisotropic Aliev-Panfilov PDE of cardiac electrophysiology using both physics-informed neural networks and physics-informed deep operator networks. The Aliev-Panfilov PDE serves as a challenging exemplar: a nonlinear, time-dependent PDE benchmark with sharp gradients that are expensive to capture using traditional numerical solvers. To represent the limited data regime, we train the networks using just fifteen geometric samples drawn from parameterized distributions in two and three spatial dimensions. While modest improvements appear for geometries parameterized by affine and shear deformations, latent PDE mapping demonstrates significant benefits on select geometric families, achieving a factor ~4-6 reduction in mean relative L2 error. Furthermore, our results show that the computational cost of applying latent PDE mapping was modest during network training, and negligible at inference. Taken together, our study highlights how latent PDE mapping facilitates the creation of generalizable physics-informed machine learning models from limited sets of training geometries.
Ben Adcock, Michael Griebel, Gregor Maiermath.NA cs.IT cs.LG
A key question in operator learning is how to design surrogate operators with provable approximation guarantees in reasonable computational time. Whereas smooth operators can be approximated efficiently, i.e., with at least algebraic convergence in the amount of training data, learning finitely regular operators is known to be less efficient. The reason is an intrinsic curse of sample complexity, which allows only subalgebraic sample complexity rates. This fact makes it all the more important to develop algorithms which provably achieve these rates. In this work, we present a fully data-driven algorithm, termed Hermite-PCA approximation, for learning Gaussian Sobolev operators with near-optimal sample complexity. It employs principal component analysis and weighted least-squares methods and is therefore computationally efficient. Moreover, it is spectral, in the sense that it achieves faster (and near-optimal) convergence the higher the Sobolev regularity. We provide a full error analysis of this algorithm, taking into account all sources of error, along with numerical experiments that verify our theoretical results and empirically confirm the efficacy of Hermite-PCA approximation for learning Sobolev operators.
We combine neural network means with exact Matérn kernel regressions of their residuals and of their learned features, and evaluate the pairing on two public emulation problems with published baselines: the structural-mechanics benchmark of de Hoop et al. and the OCO-2 radiative-transfer emulator of Lamminpää et al. On structural mechanics the combination reaches 4.55% test error, matching the best published architecture, and 5.38% against a published 6.49% in the low-data regime. On OCO-2 it improves on the published Gaussian-process emulator on that problem's own test points, outright on two of the three spectral bands; the same kernel that trails the network tenfold on the raw state overtakes it on the network's features, and we measure why (the target's squared native-space norm drops about fortyfold at fixed effective dimension) and prove the mechanism. Where the two families tie instead, the residuals of every architecture we train correlate above 0.86 and their shared component is flat in diversity and sample size, which reads the published plateau as a property of the data. Supporting results include a second-moment identity that predicts stacking outcomes from measured correlations, an optimal-recovery certificate, and a distribution-free coverage band, the only uncertainty signal that survives our tests.
Jun Choi, Chang-Ock Lee, Minam Mooncs.LG cs.AI math.NA
In this paper, we propose an efficient hybrid least squares/gradient descent (LSGD) method for MIONets to accelerate training. This method generalizes the LSGD method for DeepONets. Since MIONet is the sum of the entrywise product of multiple branch networks and a trunk network, it can be viewed as a multilinear function with respect to the last layer parameters of each branch network. These sets of parameters can be optimized using the alternating least squares method, where we solve the LS system for a single branch network in turn. To handle the large-sized system matrix, we introduce Kronecker and Khatri-Rao products and tensor permutation matrices to factor the large matrix into small ones. Our method is compatible with a general type of $L^2$ loss with regularization terms for the last layer parameters of each branch, where linear operators can be applied to the MIONet output in each loss term.
We study kernel-based operator learning in a two-stage sampling framework, where an offline kernel regression operator learns a discretized representation of the target operator from input-output pairs and an online kernel reconstruction operator recovers the output function from predicted observations. Our main theoretical contribution is an explicit budget allocation condition relating the number $N$ of training pairs, the number $n$ of input observations, and the output resolution $m$. The condition is derived from a coupled error analysis that interprets the surrogate as a reconstruction from approximate data. This yields a decomposition of the total error into reconstruction and learning contributions that can be analyzed independently. As a consequence, we obtain quantitative scaling laws describing how $N$, $n$, and $m$ must be coupled to guarantee convergence and to balance offline learning and online reconstruction errors. The resulting estimates extend previous analyses of kernel-based operator learning. We further introduce a physics-informed extension that incorporates knowledge of the underlying PDE at evaluation time. Rather than encoding constraints directly into the kernel, we augment the online reconstruction step by penalizing PDE residuals at collocation points. The method requires no retraining for new inputs. Numerical experiments illustrate the theoretical findings and demonstrate the effectiveness of the proposed physics-informed reconstruction strategy.
Operator learning has emerged as a powerful tool for modeling complex physical systems in functional spaces. However, their neural network-based architectures make them opaque models, obscuring the reasoning behind their predictions. In this work, we introduce a self-explainable operator learning framework that overcomes this challenge by reformulating operator learning as a linear combination of generalized functional linear models expressed through integral equations. Exploiting the additive decomposability of these integral equations, we divide the input domain into subdomains and compute localized integrals to evaluate the contribution of each region to the final prediction. This decomposition enables direct interpretability where the model explains both inputs and outputs by linking specific input regions to corresponding output patterns, thereby revealing which spatial features drive predictions. We demonstrate the framework on function-to-scalar and function-to-function mappings in fluid flow problems involving blood flow and unsteady aerodynamics. The results show that the operator most often prioritizes regions with strong feature gradients, providing physically meaningful insight into the model's decision-making process. Comparisons with established post-hoc explainability methods demonstrate qualitative agreement while highlighting the key advantage of the proposed approach: explainability is embedded directly within the operator structure itself and does not require an external tool. Therefore, our framework provides a mathematically transparent and physically interpretable approach to uncover relationships within data, fostering trust in machine learning for scientific applications by enabling more informed data-driven analysis of physical systems.
Meenakshi Krishnan, Pranav Pulijala, Ke Chen +2cs.LG math.NA
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.
Nisha Chandramoorthy, Daniel Sanz-Alonso, Nathan Waniorekstat.ML cs.LG math.NA
We establish approximation and learning guarantees for Fourier neural operators (FNOs) applied to time-$T$ solution operators of dissipative evolution equations. The analysis builds on the premise that FNOs can efficiently approximate and learn solution operators whenever these operators admit stable and accurate spectral discretizations. To formalize this idea, we introduce classes of evolution operators defined through spectral methods and derive FNO approximation bounds and polynomial sample complexity guarantees for these classes. For equations with polynomial nonlinearities, the learning rates depend primarily on the smoothness of the input space and the dimension of the physical domain. Our results hold uniformly over broad families of dissipative equations, rather than for a single fixed PDE, and apply in particular to the Navier--Stokes, Allen--Cahn, and Cahn--Hilliard equations. For equations with non-polynomial smooth nonlinearities, we prove that polynomial sample complexity still holds with rates that now additionally depend on the smoothness of the nonlinear terms and the dissipation strength. Overall, we connect classical spectral approximation theory with modern operator learning and explain when FNOs can learn nonlinear evolution operators efficiently.
We study operator learning for random obstacle-to-solution maps arising from elliptic variational inequalities with finite-band self-affine random obstacle fields. Instead of introducing an explicit truncated stochastic parametrization of the random input, we learn the map directly from sampled obstacle realizations on a fixed grid. This problem is challenging because the solution is governed not only by the obstacle field itself, but also by the induced contact set and free-boundary geometry. We introduce a post-training least-squares readout refit for the Fourier neural operator (FNO). After the FNO is trained end to end, its nonlinear backbone is frozen and the final affine readout is recomputed by solving the induced linear least-squares problem over all training samples and grid points. The refit yields the empirical squared-error optimal readout for the learned frozen features while leaving the nonlinear representation unchanged. We compare vanilla DeepONet, POD-DeepONet, a two-stage DeepONet baseline, FNO, and FNO with least-squares readout refit (FNO-LS) on two obstacle ensembles with different amplitude levels. Numerical results show that FNO-LS achieves the strongest overall performance among the tested models, particularly for higher-amplitude obstacles with more complex contact geometry. The method improves average field accuracy, contact-set recovery, and obstacle-violation metrics at low additional cost, especially when the FNO backbone is informative but not fully converged. These results suggest that least-squares readout refit is a simple and effective post-training enhancement for learning random obstacle-to-solution maps.
Training operator-learning models for large-scale problems governed by partial differential equations (PDEs) is challenging due to the curse of dimensionality, memory constraints, and limited training data. These challenges arise in many scientific and engineering applications, including subsurface flow, climate modeling, and geological carbon storage (GCS). In this work, we propose a scalable operator-learning framework based on the Karhunen-Loeve Deep Neural Network (KL-DNN) and demonstrate its performance for modeling GCS. The model is trained on a dataset comprising 100 samples of large-scale simulations in a three-dimensional domain with 1.7 million cells and 50 time steps. The KL-DNN method constructs latent spaces using low-rank singular value decomposition of static properties and a nested Karhunen-Loeve expansion for dynamic pressure fields, enabling full-resolution predictions without subsampling or spatial coarsening. The KL-DNN model achieves an average root mean square error (RMSE) of 1.1 psi for pressure (0.04% relative error with respect to the average pressure in the domain) and RMSE of 0.0146 for CO2 saturation (5% relative error with respect to the average saturation inside the plume). The model requires 20 minutes of training on a single GPU, representing a 19% reduction in the pressure errors, 7% reduction in the saturation error, and a two-order-of-magnitude speedup compared to DeepONet trained on the same dataset. These results, along with inference time of less than one minute, establish the proposed model as a practical and accurate solution for large-scale PDE problems, enabling rapid uncertainty quantification, history matching, and real-time decision support.
Emmanuel E. Oguadimma, Victory C. Obieke, Xueying Yucs.LG math.AP math.NA
We consider the cubic nonlinear Schrödinger (NLS) equation on two-dimensional flat tori with varying aspect ratios. In this formulation, the choice of aspect ratio governs the Fourier resonance structure, so rational and irrational geometries can exhibit different high-frequency cascade behaviors. We present a geometry-conditioned Fourier neural operator (FNO) for the cubic defocusing NLS equation, where the input consists of the real and imaginary parts of the solution together with the aspect-ratio parameter \(ω^2\). The model is trained to approximate the one-step solution operator and is evaluated on unseen trajectories generated from random-phase initial data using Fourier pseudospectral method. Our numerical experiments show that the learned operator captures the main solution dynamics on both tori and reproduces the distinct Sobolev norm behavior of the two geometries, with stronger \(H^2\)-growth on the rational torus and more constrained behavior on the irrational torus, consistent with the findings of \cite{hrabski2021energy}. We perform ablation studies to examine the roles of retained Fourier modes, activation functions, Fourier-layer depth, and explicit geometry conditioning. The results indicate that including $ω^2$ improves long-time predictive accuracy, especially for the rational geometry, and supports the use of geometry-aware neural operators for learning spectral-transfer phenomena in nonlinear dispersive partial differential equations.