PDE Operator Learning

Learning solution operators for partial differential equations (PDEs) on irregular and geometry-dependent domains remains a central challenge in scientific machine learning. While spectral methods provide strong inductive biases for modeling global interactions, they are typically limited to regular domains, and existing neural approaches often require domain warping, interpolation, or costly geometric embeddings. We introduce the \textbf{Graph Spectral Neural Operator (GSNO)}, a neural operator that combines spatial graph spectral decompositions with temporal Fourier transforms through a unified space--time spectral kernel. This formulation enables globally coherent operator learning on non-Cartesian discretizations without domain warping or autoregressive rollouts. By replacing learned geometric embeddings with a graph Laplacian spectral basis, GSNO provides geometry-aware spectral learning with low parameter complexity. Across steady and unsteady PDE benchmarks on irregular and geometry-dependent domains, GSNO achieves strong accuracy with reduced runtime and parameter counts, while demonstrating robust zero-shot generalization across mesh resolutions and geometry families.

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.

Multi-station multivariate weather forecasting aims to forecast future weather variables at multiple weather stations from historical surface observations. Existing station forecasting models learn statistical dependencies among discrete stations, but lack explicit physical evolution. Meanwhile, PDE-based weather models provide interpretable physical dynamics, yet require continuous fields and upper-air variables unavailable in surface station data. To bridge this gap, we propose StationPDE, a station-oriented surface PDE learning model. StationPDE constructs a terrain-aware continuous surface field from discrete station observations and decomposes its physical evolution into surface wind transport and upper-air inference. Surface wind transport explicitly evolves observable weather variables, while upper-air inference uses learnable horizontal diffusion to approximate the missing influence of unavailable upper-air variables. A parallel data-driven diffusion branch captures complementary motion patterns, and an adaptive router integrates the two forecasts for station-level multivariate forecasting. Experiments on Weather2K and MeteoNet show that StationPDE consistently outperforms state-of-the-art baselines, reducing MSE by about $9.6\%$ on average compared with the strongest baseline.

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.

Full self-attention is a strong token mixer for PDE surrogates on irregular domains, but its quadratic cost limits its use on high-resolution problems. Efficient latent-attention models such as the Fast Low-rank Attention Routing Engine (FLARE) avoid that cost by routing all N tokens through M << N learned latent queries, but those queries are parameters: once trained, the same learned query templates serve every input. We remove this restriction with FLARE++, a low-rank attention architecture with dynamic token routing. FLARE++ reuses FLARE's own encoder to build its routing queries: learned latent seeds drive one extra encode call that gathers the N input tokens into M input-conditioned queries, and those queries then determine how the same tokens are compressed and redistributed. This preserves FLARE's explicit low-rank factorization and linear O(NM) complexity, and expresses the complete routing operation with standard scaled dot-product attention (SDPA) calls alone. We also provide a multi-GPU context-parallel implementation that shards input tokens across devices without ever gathering the full token sequence on one of them. FLARE++ is competitive across a set of standard PDE surrogate benchmarks, improving on fixed-query FLARE by 24% on average, and it gains 2.3 points of average accuracy on Long Range Arena.

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.

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.

Transformer-based neural operators have achieved substantial progress in solving Partial Differential Equations (PDEs) by projecting spatial observations into compact latent tokens and learning physical interactions in latent spaces. However, we reveal that existing learnable projection mechanisms cannot ensure stable and balanced assignments from observation points to latent tokens, causing some latent tokens to be over-assigned while others remain underutilized. This limitation further restricts the design of hierarchical architectures, as assignment imbalance is continuously inherited and amplified across latent spaces, eventually causing severe token collapse in deeper spaces. To address these issues, we propose MoNo (Multiscale Optimal Transport Neural Operator), a progressive multiscale neural operator that efficiently solves PDEs on general geometries through stable latent-space construction. At its core is CoTAP (Cross-scale Optimal Transport Assignment and Projection), a novel latent-space construction method that formulates cross-space assignment between adjacent spaces as an entropy-regularized optimal transport problem, thereby constructing balanced bidirectional projections and stable latent spaces. CoTAP also ensures stable information transfer across multiple latent spaces, further enabling multiscale architectures on general geometries, which in turn support more efficient learning of long-range physical interactions. Extensive experiments demonstrate that MoNo outperforms existing state-of-the-art neural operators in both prediction performance and computational efficiency. Code is available at https://github.com/ZijiangY1116/MoNo.

Fourier neural operators (FNOs) provide efficient nonlocal spectral learning, but varying geometries and independently chosen discretizations remain difficult to accommodate. We introduce the ambient-domain extension Fourier neural operator (ADEx-FNO), a deterministic framework that incorporates geometry without modifying the defining Fourier-operator layers. Each physical domain is embedded in a fixed ambient hypercube and represented by a signed distance function. Inputs and solution fields are deterministically extended to the ambient domain, transferred to a common, potentially nonuniform rectilinear latent grid, processed by the FNO, then interpolated to an independently chosen target discretization and restricted to the physical domain. All geometry-transfer operations lie outside the optimization procedure and require no trainable graph, point-cloud, deformation, or geometry-decoding modules. ADEx-FNO achieves relative l2 errors of 0.32%-0.77% on held-out smooth-domain nonlinear Poisson and advection-reaction-diffusion problems in 2D and 3D, and is also evaluated on unseen nonsmooth geometries. A single ADEx-FNO inference is then used to initialize conventional CFD solvers. For all 29 converged 2D and 3D RANS cases, pseudo-time iterations decrease, with mean reductions of 44.17% and 43.03%, respectively, with comparable gains across three mesh resolutions. URANS cases reduce post-window physical-time advances by 18.52%-27.51%. In transfer from 2D URANS training data to DNS at different Mach and Reynolds numbers, the bootstrap interval decreases by 23.47%-48.21%, depending on the target statistic. In all CFD tests, ADEx-FNO provides only the initial field; the governing-equation solver controls the subsequent solution, while physical or statistical consistency is assessed separately from computational savings.

Pretrained partial differential equation (PDE) foundation models can generalize across different equations, but adapting them to unseen PDE systems typically requires dense solution data, which is often expensive or unavailable. To address this limitation, we propose an unsupervised PDE-based finetuning framework that eliminates the need for ground-truth solutions. We first pretrain a neighborhood attention Transformer on diverse time-dependent PDEs spanning varying spatial scales, yielding transferable representations across heterogeneous equations. In the adaptation stage, we construct a physics-based objective using the PDE residual and boundary conditions, and finetune the model on unseen equations via low-rank adaptation (LoRA). To address the uneven learning across physical quantities in standard LoRA, we introduce NSLoRA, a Newton-Schulz orthogonalized variant that rebalances adaptation. Our method achieves performance comparable to supervised LoRA finetuning without requiring any ground-truth solutions, while consistently outperforming competitive neural operator baselines and recent PDE foundation models across heterogeneous PDE benchmarks spanning multiple spatial dimensions.

Neural operators have become a central tool for solving partial differential equations (PDEs), with spectral operators offering efficient global mixing across spatial locations. However, many PDEs contain physics-sensitive local structures that are critical to the underlying physical behavior. For example, in Darcy flow, local material interfaces are often reflected by sharp changes in the permeability field and can strongly influence the solution. Existing spectral operators primarily adapt modal mixing based on center-point representations, making them insufficiently responsive to such localized structural variations. We propose the Edge-Conditioned Spectral Operator (ESO), a novel spectral operator framework that modulates global spectral mixing using local edge-wise variations. By incorporating the Pairwise-Variation Modal Mixer (PVMM) to inject local edge information into spectral mode selection, ESO preserves the global approximation capability of spectral neural operators while enabling the learned kernel to adapt to physics-sensitive local structures. Furthermore, we introduce a task-adaptive Physics-Aware Reweighting (PAR) that emphasizes physically important regions, identified by taskspecific physical quantities. Across nine PDE benchmarks, ESO consistently achieves state-of-the-art performance. Visual and region-wise analyses further demonstrate that ESO reduces solution errors near coefficient jumps, high-gradient flow structures, and other physically sensitive regions. The code is available at https://github.com/Tanpig-X/ESO.

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.

Extending the neural-operator element method from individually trained, fixed-geometry neural elements to a library of reusable, geometry-parameterized element types fails structurally: a field-predicting operator trained by value regression induces an energy whose assembled Hessian is indefinite, and Newton converges to spurious minima (247% error) even with 1%-accurate field predictions. We introduce convex neural energy elements: each element exports a scalar energy E(g,U), architecturally convex in its boundary degrees of freedom U and smoothly parameterized by its geometry g, realized as a hypernetwork-generated positive-semidefinite quadratic form (an input-convex correction is reserved for non-quadratic physics). A regularization-nullspace principle--the regularizer's nullspace must contain the physics nullspace--removes an otherwise irreducible bias, and assembled elements inherit the classical guarantee that singular element stiffnesses yield a positive-definite global system. We prove conditional error bounds (energy-to-solution accuracy, element-count scaling, geometry generalization) and verify each experimentally. On heat conduction with elliptic holes, one trained element assembles into 2x2 to 8x8 grids and an L-shaped layout of unseen geometries at 0.6-1.0% relative L2 error, with 175x faster per-geometry setup for boundary-quantity workloads. A second trained element type mixes freely with the first in one monolithic assembly, and a three-dimensional instantiation reaches 0.23% on eight-element assemblies--the guarantees are type- and dimension-agnostic. A plane-strain elasticity element, whose physics nullspace is three-dimensional, lands on the analytically predicted regularization floors. Making the energy the learned object turns neural operators from single-use surrogates into reusable elements that inherit the assembly guarantees of the method they extend.

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.

Nonlocal partial differential equations arise in many applications but are often difficult to model and learn because of the presence of nonlocal operators. We present a flow-map learning (FML) framework for modeling unknown nonlocal PDEs directly from solution data. Rather than learning or approximating the underlying nonlocal operators, the proposed approach learns the finite-time evolution operator in either modal or nodal space. Two complementary formulations are developed for spectral and grid-based solution representations. Numerical experiments on one- and two-dimensional fractional diffusion and wave equations demonstrate accurate and stable long-time prediction using only short observation windows. The proposed approach provides an effective data-driven framework for learning unknown nonlocal dynamics without explicit evaluation of nonlocal operators.

Neural operators provide fast surrogates for time-dependent partial differential equations (PDEs) by applying a learned evolution operator recursively to its own predictions, but this autoregressive rollout feeds every prediction error back as input, so local errors accumulate. Existing rollout-training strategies reduce the mismatch between training inputs and self-generated states, yet their supervision still measures only the absolute discrepancy from the ground-truth trajectory. Such supervision is therefore uninformative about whether the operator has overcome the long-horizon failure behaviors it exhibited earlier during optimization. We propose history-enriched rollout training (HERO), which augments conventional absolute trajectory supervision with relative supervision derived from the model's optimization history. HERO ranks detached candidate rollouts from a periodically refreshed lagged operator, the current model, and a perturbed input by rollout error, spectral discrepancy, energy drift, and error growth, and selects the strongest failure trajectory as reference. This reference enters a margin-based objective as a fixed comparison baseline, inducing a bounded, sample-dependent reweighting of the ground-truth rollout gradient rather than an independent gradient direction, which we further analyze theoretically. Experiments on nine PDE benchmarks with spectral and attention-based backbones show that HERO consistently improves long-horizon accuracy, stable rollout length, and out-of-distribution robustness at no inference-time cost. These results indicate that history-enriched relative supervision is effective for stabilizing long-horizon autoregressive prediction.

Neural operators have shown strong potential for learning solution operators of partial differential equations (PDEs). However, long-horizon autoregressive prediction remains challenging: local errors accumulate as spectral inconsistency, phase misalignment, or mean drift. Existing methods mainly improve state representations and operator backbones, while leaving the repeatedly applied latent transition increment weakly structured, allowing spectral errors and unstable channel couplings to accumulate during rollout. To address these issues, we propose a geometry-aware incremental neural operator (GeoIncNO) for stable long-horizon PDE prediction. GeoIncNO predicts latent increments for residual advancement and uses lightweight low-rank projectors to regulate channel coupling within active frequency bands derived from the increment spectral energy distribution. To reduce physical-space reconstruction errors, GeoIncNO further introduces a mean--fluctuation decoupled reconstruction mechanism, where stable mean structures and dynamic fluctuations are fused separately, and phase correction is applied only to the zero-mean fluctuation component. Extensive experiments on six PDE benchmarks, covering 1D, 2D, and 3D dynamical systems, show that GeoIncNO achieves consistently strong prediction accuracy, improved rollout stability, and better spectral fidelity compared with competitive neural-operator baselines.

Despite the many variants of DeepONet that have been proposed, query-based operator networks still struggle with shock-dominated and low-viscosity PDEs, whose sharp moving discontinuities and slowly decaying solution spectra challenge finite-dimensional separable representations. In this work, we propose \emph{Feature Interaction Modeling Operator} (FM-Operator), a point-wise query neural operator that explicitly models feature construction and interactions between sensor observations and query coordinates. Our design is motivated by a reinterpretation of the canonical DeepONet aggregation through the lens of multiplicative interactions. Specifically, the branch--trunk inner product admits the equivalent form $\boldsymbol{b}(u)^\top \boldsymbolτ(y)=\boldsymbol{1}^\top \operatorname{diag}(\boldsymbol{b}(u))\,\boldsymbolτ(y)$, revealing that the two representations interact only along corresponding latent dimensions and therefore constitute a diagonally constrained multiplicative interaction. This observation suggests that, beyond improving the individual branch and trunk networks, the structure through which function and query representations interact is itself an important inductive bias in point-wise operator learning. FM-Operator accordingly redesigns both feature construction and feature interaction, enabling structured information exchange beyond the conventional branch--trunk coupling while retaining point-wise query evaluation. Experiments across multiple PDE benchmarks demonstrate that FM-Operator consistently outperforms vanilla DeepONet and achieves clear improvements over the strong Shift-DeepONet baseline. These results suggest that explicitly designing representation construction and interaction provides a promising direction for improving the effectiveness of DeepONet-style query-based neural operators.

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.

Transformer architectures have attracted increasing attention for solving partial differential equations (PDEs), owing to their flexibility in handling irregular discretizations and their ability to capture long-range physical dependencies. However, unlike discrete language tokens or fixed-resolution image patches, observed physical fields are finite samples of underlying infinite-dimensional functions. Consequently, effectively applying Transformers to PDEs requires a tokenizer that respects the functional nature of physical fields and constructs physically expressive tokens from arbitrary discretizations.To this end, we propose \methodname{Physics Transformer}, a function-projection-based Transformer architecture for physical field prediction. Physics Transformer treats a physical field as a continuous function and partitions its discretization into locality-preserving spatial patches. Within each patch, it dynamically learns a set of adaptive local basis functions and projects the sampled field onto these bases to obtain compact physics tokens. The resulting tokens capture diverse latent physical states while preserving fine-scale spatial structures, enabling efficient global interaction through factorized attention across space and physical states. The projected representation further supports efficient decoding at arbitrary query locations. Extensive experiments on diverse benchmarks, ranging from two-dimensional PDE dynamics to industrial-scale three-dimensional CFD simulations, demonstrate that Physics Transformer accurately captures fine-grained physical structures and achieves state-of-the-art predictive performance. These results establish function projection as a practical and effective foundation for designing Transformer architectures for PDE solving.

Parameterized and coupled partial differential equations (PDEs) are central to modeling phenomena in science and engineering, yet neural operator methods that address both aspects remain limited. We extend Fourier neural operators (FNOs) with minimal architectural modifications along two directions. For parameterized dynamics, we propose a hypernetwork-based modulation that conditions the operator on physical parameters. For coupled systems, we conduct a systematic exploration of architectural choices, examining how operator components can be adapted to balance shared structure with cross-variable interactions while retaining the efficiency of standard FNOs. Evaluations on benchmark PDEs, including the one-dimensional capacitively coupled plasma equations and the Gray-Scott system, show that our methods achieve up to 55-72% lower errors than strong baselines, demonstrating the effectiveness of principled modulation and systematic design exploration.

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.

Developing foundational neural simulators for Partial Differential Equations (PDEs) requires robust generalization across diverse physical parameters and boundary conditions. However, current deep learning approaches largely face a structural trade-off between condition-agnostic deployment and physical fidelity. Purely data-driven operators infer the underlying physics implicitly and thus lack the explicit constraints needed to ensure physically valid solutions across varying domains, rendering the learning problem ill-posed. On the other hand, Physics-Informed Neural Networks (PINNs) enforce rigorous physical constraints but necessitate costly, instance-specific optimization. Furthermore, the massive scale of emerging foundational operators has severely degraded their inference speeds, making them computationally uncompetitive with traditional numerical solvers. To address this bottleneck between condition-agnostic deployment, physical rigor, and inference efficiency, we propose a \textit{Generalized Neural Operator}. By formalizing the classical conditions for well-posedness within neural operators, our framework demonstrates the theoretical benefits of explicitly conditioning on PDE parameters and boundary conditions. To implement this synthesis without compromising computational speed, we introduce three novel architectural components: a parameter-gated mixture of kernels for efficient parameter generalization, a generalized boundary transfer operator that projects arbitrary boundary constraints into a unified latent Dirichlet representation, and a specialized training objective to ensure stability. Extensive experiments demonstrate that our theoretically grounded approach achieves superior generalization across heterogeneous physical regimes while maintaining strict inference efficiency comparable to conventional numerical baselines.

Accurately solving partial differential equations (PDEs) on arbitrary geometries and a variety of meshes is an important task in science and engineering applications. In this paper, we propose Adaptive Mamba Neural Operators (AMO), which integrates reproducing kernels for state-space models (SSMs) rather than the kernel integral formulation of SSMs. This is achieved by constructing Takenaka-Malmquist systems for the PDEs. AMO offers new representations that align well with the adaptive Fourier decomposition (AFD) theory and can approximate the solution manifold of PDEs on a wide range of geometries and meshes. In several challenging benchmark PDE problems in the fields of fluid physics, solid physics, and finance on point clouds, structured meshes, regular grids, and irregular domains, AMO consistently outperforms state-of-the-art solvers in terms of relative $L^2$ error. Overall, this work presents a new paradigm for designing explainable neural operator frameworks.

Multiscale problems are notoriously difficult to tackle using traditional numerical methods, as accurately resolving fine-scale features often requires prohibitively fine discretizations. This challenge is particularly pronounced in applications such as materials science, fluid dynamics, climate systems, chemical processes, and complex networks. Recent neural operator models provide a promising data-driven alternative, but frequently struggle to achieve sufficient accuracy in the presence of strongly heterogeneous or oscillatory coefficients. In this work, we focus on the solution of elliptic PDEs with rough and high-contrast inputs. The Localized Orthogonal Decomposition (LOD) method is a well-established numerical approach for such problems, but it comes, however, at a substantial computational cost. We investigate the performance of popular neural operator architectures on these challenging multiscale problems and identify key limitations in their ability to resolve fine-scale structure. To overcome these challenges, we introduce LOD-MSNO (LOD-Multiscale Neural Operator), a hybrid approach that leverages the LOD method as a strong multiscale prior by building on its representation of the solution as a linear combination of problem-adapted basis functions, while addressing its main computational bottlenecks through data-driven operator learning. We further provide theoretical error estimates for the proposed coefficient-learning framework. Lastly, we demonstrate the potential of our proposed method to outperform current neural operator baselines in terms of accuracy for challenging multiscale inputs, while mainly retaining the computational efficiency of neural operator models.

We present an agentic approach to autonomous neural operator discovery based on an AI scientific community, which consists of a swarm of virtual laboratories that interact under a citation-based economy of influence. Highly-cited labs found new labs that follow their research direction and replace non-performing labs. Each virtual lab contains three agents: an LLM planner that proposes an architecture, a numerical worker that trains and measures it, and an LLM reviewer that participates in cross-lab peer review. All labs share a common vocabulary consisting of DeepONet (branch-trunk), Fourier, Transformer (attention), wavelet, and residual convolutional neural operator building blocks. We evaluate the neural operator AI scientific community on five problems, namely piecewise regression, the linear advection and Burgers 1D PDEs, and the Navier-Stokes and Darcy flow 2D PDEs, while repeating the simulation three times for each problem. The results show that the neural operator AI scientific community is capable of discovering high-accuracy, low-parameter-count neural operator architectures. All 9,623 LLM calls are logged and audited, which reveals that the virtual lab LLM planners choose to hybridize in 99.8% of their logged decisions, consistently returning multi-family hybrids. Moreover, we conducted an ablation study by replacing the LLM agents in each lab by rule-based alternatives, which caused the scientific community to collapse to non-hybridized single-family stacks in several cases, showing that LLM agency is needed to preserve diversity. The results suggest a no-free-lunch theorem for neural operators: there is no universal winner. The code, configurations, and the complete LLM transcripts are released at https://github.com/luislootx/AI-SC.

While neural PDE solvers have demonstrated significant potential for accelerating engineering simulations, existing architectures remain constrained by high memory consumption and the single node bottleneck, where the maximum processable mesh resolution is strictly limited by the VRAM of a single compute unit. To address these challenges, we propose PGD-NO, a neural operator with Precomputed Geometry Decomposition, that relocates the computational overhead of geometric encoding to a deterministic pre-computation phase. By utilizing an iterative geometry decomposition algorithm to extract geometry tokens, our model decouples feature extraction from solution querying. This architecture enables linear memory scalability, allowing high fidelity learning on meshes exceeding 10 million nodes, a scale where existing architectures typically encounter memory exhaustion. PGD-NO demonstrates competitive predictive accuracy across diverse industrial benchmarks and provides intrinsic interpretability through attention mechanisms. By effectively overcoming traditional mesh-size constraints, PGD-NO offers a robust and efficient solution for the next generation of large-scale, high-fidelity industrial design applications.

Many biological processes are governed by complex dynamical mechanisms that remain incompletely understood despite increasing volumes of experimental data. Biologically-informed neural networks (BINNs) seek to address this challenge by embedding mechanistic differential equations into neural network training, enabling interpretable constitutive operators to be recovered directly from sparse and noisy observations. However, reliable operator recovery depends sensitively on network architecture, optimisation strategy, and data informativeness. Here, we present a systematic empirical study of how these factors influence mechanistic inference using BINNs applied to canonical one-dimensional advection-diffusion-reaction partial differential equation models. Across a suite of benchmark problems, we investigate how network expressivity, learning rate, loss weighting, and batch size influence optimisation behaviour and operator recovery. We show that successful mechanistic inference depends on balancing competing objectives rather than maximising any single aspect of the model or optimisation. Moderately expressive architectures outperform overly complex networks, intermediate learning rates improve optimisation stability, balanced data and PDE losses are essential for accurate operator recovery, and intermediate batch sizes provide the best compromise between computational efficiency and reproducibility. We further identify practical diagnostics for recognising common failure modes, including over-fitting, unstable optimisation, and poor mechanistic recovery when the ground truth is unavailable. Together, these findings provide evidence-based guidelines for deploying BINNs as credible tools for biological model discovery.

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.

We present PDEFlow, an autonomous agentic framework that turns user-level ODE and PDE descriptions into solver-backed neural-operator pipelines. The workflow links problem specification, data generation, operator training, and checkpoint-based inference. A stateful input graph converts multi-turn natural-language input and user edits into validated problem specifications. The data-generation module then samples parameters, solves the configured governing-equation with FEniCSx finite-element backend, and stores the solutions as operator-ready tensors. The training and inference stages use a registry-based interface, allowing different neural operators to be trained and deployed without changing the surrounding pipeline. In the current implementation, we instantiate this interface with a multi-branch Bayesian DeepONet. Experiments on benchmark ODE and PDE tasks show that PDEFlow can construct valid specifications, generate solver-backed datasets, train neural operators across steady and transient problem classes, and provide solver-free predictions from saved checkpoints. The framework is designed for repeatable scientific and engineering workflows where many related physics configurations must be specified, simulated, learned, and queried with minimal manual intervention.