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.
Rajat Sarkar, Venkataramana Runkana, Souvik Chakrabortycs.LG physics.comp-ph
Physical systems are often modeled by solution operators that map input fields, parameters, geometries, or past states to steady or future physical states. Learning these maps is difficult, especially for time-dependent systems that must assimilate history and remain stable under autoregressive rollout. Many neural operators work best on regular, structured grids, while realistic simulations often require unstructured meshes or point clouds to resolve complex geometries; in such settings, grid-centric representations can lose accuracy. Graph neural operators handle these domains through message passing or spectral graph filtering, but pairwise edges do not directly capture group-wise couplings among mesh cells, local neighborhoods, or conservation volumes. We introduce the Hypergraph Adaptive waveLet Operator (HALO), which lifts the domain to a hypergraph and learns in its spectral wavelet domain. HALO avoids explicit hypergraph-Laplacian eigendecomposition through Chebyshev polynomial wavelet filters, giving localized spectral kernels at linear sparse-matrix cost. Its trainable dyadic wavelet scales are regularized toward tight-frame coverage, allowing the frequency response to adapt to each PDE while encouraging stable multi-scale spectral coverage. Across 2D and 3D benchmarks on structured and unstructured discretizations, HALO achieves best or near-best accuracy among frequency-, transformer-, DeepONet-, state-space-, and graph-based baselines and sustains stable multi-step rollouts. The same model scales to industrial aerodynamic geometries: on meshes of a few hundred thousand points it is on par with, or better than, the strongest fixed-discretization transformers, while remaining resolution-equivariant.
Muhammad Abid, Arth Sojitra, Bipin Tiwari +1quant-ph cs.LG
Quantum DeepONet accelerates neural-operator inference by evaluating an orthogonally parameterized network on a quantum computer, reproducing in ideal simulation the accuracy of its classical counterpart at asymptotically lower inference cost. Its trunk network, however, receives query coordinates with limited spectral structure, requiring the network to learn oscillatory features through its nonlinearities. We propose Quantum SEDONet (Spectral-Embedded Deep Operator Network), which assigns each trunk coordinate a spectral basis according to its boundary condition: Fourier features for periodic coordinates and Chebyshev features for bounded, non-periodic coordinates. The basis is selected per coordinate rather than per problem, allowing both representations within a single problem. Under unary amplitude encoding, the embedding incurs no additional qubits or circuit depth when its dimension remains within the network width, while increasing the parameter count by only a few percent. Across four benchmarks, Quantum SEDONet reduces the mean relative L2 error by 54.1% for the antiderivative, 49.6% for advection, 36.0% for Burgers, and 36.2% for a mixed-boundary channel Poisson problem. Quantum and classical evaluation paths agree to within 10^-8 throughout. The channel Poisson problem simultaneously uses Fourier features in the periodic direction and Chebyshev features in the bounded direction, demonstrating coordinate-wise boundary-matched spectral embedding without additional quantum-resource cost.
Neural operators provide efficient surrogates for spatiotemporal PDE systems, but purely data-driven formulations often accumulate substantial errors during long-horizon autoregressive prediction and may fail to exploit available governing-equation structure. Existing approaches incorporate physics primarily through residual-based training objectives or PDE-specific architectural constraints, which can introduce optimization difficulties or limit architectural generality. In this work, we introduce a representation-level approach to physics integration in which a feed-forward Gaussian splatting (FFGS) representation serves as a continuous interface between discretized solution fields and governing operators. The FFGS representation reconstructs the state as a continuous Gaussian field with closed-form spatial derivatives, allowing available physical PDE operators to be integrated directly within the learned evolution map without introducing a physics-residual loss. We evaluate the framework across two- and three-dimensional PDE systems, including advection, diffusion, nonlinear self-advection, and reaction dynamics. Over long-horizon autoregressive rollouts, the proposed framework reduces relative $\ell_2$ error by $1.5\times$--$2.2\times$ compared with the strongest purely data-driven baseline across the benchmark suite, while consistently improving spectral fidelity. The framework also remains effective when the governing equations are partially known, demonstrating robustness to incomplete physics. These results demonstrate that continuous field representations can provide a practical interface for incorporating known physical structure into generic neural-operator surrogates.
William Howes, Farid Ahmed, Syed Bahauddin Alamcs.LG
Virtual sensing enables digital twins and safety-critical systems to reconstruct and forecast spatial-temporal physics in real time. However, conventional computational and data-driven methods often face challenges in generalization, latency, and energy efficiency for edge deployment. Neural operators offer a promising alternative but remain reliant on power-intensive hardware. Spiking neurons and neuromorphic computing can improve efficiency, yet surrogate-gradient training and multi-step spiking introduce convergence and latency challenges. We propose the Sparse-Activation-ReLU (SAR) layer, a single-step alternative that promotes activation sparsity without surrogate-gradient training while remaining compatible with event-based computing. Within a trunk-based NOMAD architecture, SAR achieves over a fivefold improvement in the combined Latency-Error-Energy (LEE) metric compared with Variable Spiking Neuron (VSN) and Leaky Integrate-and-Fire (LIF) implementations. We further analyze spiking entropy and feature usage and introduce synthetic knowledge distillation, reducing the LEE score by more than twofold. Finally, we improve VSN through a ReLU-based spiking loss and graph-neighbor thresholding. On the Heat Exchanger dataset, these approaches reduce L2 error by more than twofold and nearly sevenfold, respectively, while reducing spiking and spatial aggregation. Overall, the work presented is a step towards energy-efficient virtual sensing by providing an alternative framework that can be positioned towards neuromorphic or other edge device integration that can be a gold standard to compare latency, energy, and error performance for future efficient designs that are sparsity or brain-inspired spiking based.
Danish Khan, Maurice D. Hanisch, Nikolai Argatoff +3physics.chem-ph cs.AI
Kohn--Sham density functional theory (DFT) underpins electronic-structure simulations, but repeated orbital diagonalizations lead to cubic scaling, restricting quantum calculations to modest scales only. Eliminating these auxiliary orbitals while retaining Kohn--Sham accuracy is the central goal of orbital-free DFT, but both analytical and machine-learning methods have so far fallen short. Prior learning approaches either try to learn the variational kinetic-energy functionals, which are ill-conditioned, or directly predict the ground state, which extrapolate poorly to larger systems. Instead, we identify the Kohn--Sham map as the right learning target for orbital-free DFT. It maps a Kohn--Sham potential directly to the corresponding density and noninteracting kinetic energy, quantities otherwise obtained through an orbital diagonalization. Focusing on the density component in this work, a domain-invariant $\mathrm{SE}(3)$-equivariant Fourier neural operator learns to predict it from the potential as input on real-space grids, enabling stable quasi-linear scaling SCFs. Trained jointly on 8,504 molecules and solids, a single model generalizes to out-of-distribution organic molecules, insulators, and metals. For the first time, the same method converges SCFs across these systems without explicitly constructing Kohn--Sham orbitals, while reproducing densities, electronic spectra, and structural observables at Kohn--Sham DFT accuracy. Linear-scaling SCFs additionally allow converging magnesium dislocation densities containing up to 82,500 valence electrons on a single GPU.
Accurate simulation of the long-time evolution of systems governed by partial differential equations (PDEs) is central to scientific computing. Among existing deep learning?based approaches for solving PDEs, neural operators typically rely on extensive trajectory data, whereas physics-informed meth?ods often exhibit limited stability during long-time extrapolation. For a well-posed autonomous PDE, long-time trajectories can be generated by repeated composition of a fixed-step evolution operator; hence, long-time extrapolation depends on controlling the approximation error of this operator and the propagation of that error under recursive composition. Accordingly, we propose a numerical-prior-guided, physics-constrained method trained without ground-truth trajectory supervision: a low-cost numerical prior reduces the difficulty of approximating the one?step evolution operator, while a weak-form PDE residual provides a computable proxy for the one-step error term in the error?propagation bound. We validate the method on five benchmark cases spanning four PDE classes and compare it with ten physics?informed learning methods under a unified protocol that excludes ground-truth trajectories from training and model selection. The results indicate that, in all five cases, the proposed method reduces long-time extrapolation error relative to the numerical prior and outperforms the best competing baseline in each case, thereby improving long-time simulation accuracy across different PDEs without ground-truth trajectory supervision. The source code developed for this paper will be made publicly available upon acceptance of the manuscript.
Neural operators have emerged as efficient surrogates for time-dependent physical systems governed by partial differential equations (PDEs), but their future-state predictions are often conditioned only on observed states and static problem descriptors. For control or optimization, however, body motion, inflow, or forcing are prescribed for the query without being determined solely by the observed state. We introduce the Spatiotemporal Conditional Operator (STCO) for prescribed-condition operator learning (PCOL), a common interface that supplies prescribed target-time condition fields to heterogeneous backbone architectures while retaining their architecture-specific core computation and context pathways. Its condition interface combines Flow-Aware Graph Leaf (FAGL) with Dual-Site Feature-wise Linear Modulation (DSFiLM). Non-learned FAGL uses vorticity from the final observed frame to construct a fixed-cardinality adaptive partition, then co-locates the observed history and target-time condition fields at its regional coordinates. DSFiLM injects separate motion, inflow, and force routes before and after operator computation through current-feature-driven slot- and channel-wise gates. We evaluate twelve matched backbone architectures with different existing physical and temporal inputs. The immersed-boundary computational fluid dynamics (CFD) benchmark spans prescribed motion, inflow disturbances, body-force actuation, and morphology. Across twelve matched backbones, three regimes, and two lead ranges, STCO yields mean paired reductions of 31.1% in relative-L2 field error and 24.7% in normalized pressure-derived load error. It also lowers longer-lead field error for 11 backbones, while interventions on individual condition groups produce measurable prediction changes for every group evaluated.
Selecting the optimal neural-operator prediction during deployment is challenging when high-fidelity reference solutions are unavailable. We demonstrate that under a squared Hilbert-space loss, ranking a finite model library depends strictly on the low-dimensional span of candidate differences, allowing us to score all models simultaneously using a single anchor-based linearized response of the governing equation. This shared physical diagnostic accurately recovered over 99.6\% of pairwise preferences and 99.0\% of optimal checkpoints across diverse Fourier and convolutional operator libraries for fluid, reaction-diffusion, and wave dynamics. Furthermore, the corrected physical proxy frequently outperformed the best individual candidates, and we establish computable sufficient conditions that rigorously certify exact decisions for strongly monotone discretizations. By exploiting the local dynamical response rather than raw defect magnitude, this framework enables the reliable and highly efficient deployment of scientific surrogates without requiring ground-truth data.
This paper investigates the estimation of the regression operator in function-on-function regression models. While traditional research has predominantly focused on linear models or their immediate nonlinear extensions, we propose a neural operator approach to accommodate general regression operators under mild smoothness assumptions. Operator learning has emerged as an active area of machine learning, particularly for solving physical models governed by partial differential equations. Using this paradigm, our methodology introduces the separable neural operator, a neural-operator architecture that represents the regression operator through input-dependent coefficient functions and output-dependent basis functions. Beyond adapting this architecture to the regression operator estimation problem, we establish the consistency of the estimator under relatively mild smoothness and sampling conditions, allowing functional data to be observed on dense, possibly irregular, discrete grids. We also apply the proposed approach to the BGC Argo data and demonstrate its potential for oceanographic research.
Convolution integrals widely exist in applications, and to enable fast and accurate computations, this paper introduces two general multi-stage neural operator learning frameworks. The first, Deep Collocation Neural Operator (DCNO), is a supervised approach that iteratively refines the operator approximation by learning residuals from input-output data pairs. The second, Deep Galerkin Neural Operator (DGNO), is an unsupervised framework applicable when the target operator can be represented by a PDE, leveraging the weak form of the PDE residual for training. Both methods progressively construct basis operators through multiple training stages to enrich the approximation space, leading to significantly improved accuracy over standard one-shot operator learning. We provide theoretical analysis for their approximation capabilities and implement them for learning convolutions. Extensive numerical experiments demonstrate that both DCNO and DGNO achieve high accuracy, approaching machine precision under single float for convolution problems, and offer substantial efficiency gains for numerous queries or parametric variations compared to traditional solvers. We also extend these frameworks to handle multi-input operator learning scenarios involving variations in both the density and kernel of a convolution.
Gnankan Landry Regis N'guessan, Bum Jun Kimcs.LG cs.CE math.NA
Scientific machine learning for partial differential equations commonly targets solution fields, as in physics-informed neural networks, or solution maps, as in neural operators. We study a third target: the propagator itself, a phase and amplitude in phase space. The motivation is a gap in regularity. A transported discontinuity is nonsmooth in space and time, yet the rule that moves it can be a polynomial phase carrying unit amplitude, so the object that generates an evolution can be far smoother than the field it generates. The microlocal neural operator (MiNO) learns that object, using the eikonal equation for the phase and the transport equation for the amplitude, and recovers the solution by an oscillatory integral. Sharp fronts and caustics then belong to propagation geometry rather than to a field fitted pointwise. Small residuals certify more than the reconstructed field. They place the learned canonical relation, the geometry that carries singularities, close to the exact one, and they separate trainable error from the frequency-truncation tail. On a matched-budget discontinuous-advection benchmark, MiNO stops improving within 10,000 steps at the accuracy limit of its finite reconstruction window, a limit predicted in closed form, whereas a physics-informed neural network with neural-tangent-kernel loss balancing stays near its initial error. On smooth advection, the mean error is $3.84\times10^{-3}$ for MiNO and $3.12\times10^{-2}$ for a supervised Fourier neural operator. Single-branch MiNO is the smallest model compared, and one trained generator serves five unseen initial conditions without retraining.
Lagrangian modeling is vital to fluid dynamics, as it characterizes particle transport and complements the Eulerian representation. However, Lagrangian trajectories are less commonly available than Eulerian fields, while most neural operators are trained and evaluated primarily in the Eulerian representation. This mismatch motivates a new learning problem: can a model trained solely on Eulerian observations generalize zero-shot from Eulerian field prediction to Lagrangian particle rollout, without Lagrangian supervision or task-specific adaptation? To address this problem, we propose the Transferable Latent Operator (TLO), which learns a unified flow representation shared by Eulerian field prediction and Lagrangian particle rollout. TLO decouples latent flow evolution from coordinate-dependent decoding: querying the evolving latent representation at fixed spatial coordinates yields Eulerian fields, whereas querying velocities at particle positions and recursively updating these positions enables Lagrangian rollout. Across five fluid-dynamics benchmarks, TLO consistently outperforms existing neural operators in both Eulerian field prediction and zero-shot Lagrangian rollout, with further gains from limited Lagrangian fine-tuning.
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.
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.
Alexander Auras, Martin Burger, Samira Kabri +2math.NA cs.LG
Deep neural networks have shown great empirical success in the solution of a wide variety of ill-posed inverse problems in imaging. Yet, very few works have studied their behavior in the limit that turns the discretized ill-conditioned problems into truly ill-posed ones, i.e., for an increasing resolution of the discretization. In this work, we review common approaches to neural operator learning in architectures that resemble a U-Net, one of the most common classical architectures for inverse imaging problems. We discuss advantages and drawbacks of the respective approaches, consider a 1D toy example for improved interpretability, and present extensive numerical experiments on how different types of neural operator U-Nets can improve a first (crude) limited angle CT-reconstruction. In particular, we study how well networks trained for a certain resolution of the discretization generalize to other resolutions. Our finding is that while U-shaped neural operator architectures are by design resolution-invariant, the classical U-Net architecture seems to be more robust with respect to resolution changes than expected.
Predicting underwater acoustic transmission loss rapidly and accurately is crucial for real-time ocean acoustic applications. While Fourier Neural Operators (FNO) have emerged as powerful surrogate models due to their global receptive fields, they suffer from spectral bias. The frequency truncation mechanism in FNO filters out high-frequency components, resulting in over-smoothed predictions that fail to capture fine-grained interference patterns. To overcome this limitation, this paper proposes a Spectral-Spatial Residual Learning (S2RL) framework. S2RL decomposes the prediction task into a coarse-to-fine process: a spectral Global Propagator first generates a globally consistent prediction, and a spatial Local Refiner subsequently recovers the high-frequency residuals. Experimental results on a South China Sea dataset show that the proposed method significantly outperforms FNO baselines while maintaining millisecond-level inference speeds.
Functional flow matching is posed on distributions of functions but implemented from finitely many coefficients or point values. Under scattered or adaptive refinement, the resulting conditioning sigma-algebras need not be nested, so martingale convergence does not justify the sensor limit. We prove strong $L^2$ convergence of finite conditional velocity targets for every strongly consistent sequence of finite-rank reconstructions, with quantitative bounds for orthogonal projections and a point-sensor extension through a regularity space. For learned flows, coupling directly to a population superposition path yields an end-to-end Wasserstein bound without assuming uniqueness of the population finite-dimensional ODE. We verify sensor-independent constants for a normalized quadrature neural operator, including globally Lipschitz activations through an explicit magnitude recurrence. A noncommuting trace-class Gaussian example gives boundary multiplier $0$ under projected restriction and $0.72$ under exact conditioning. A spatial regularity--cubature certificate closes the operator-realization term, a Bernstein argument gives a $\widetilde{O}(n^{-1})$ excess-risk term for fixed model dimension and envelopes, and an exactly realizable clipped Gaussian scaling specialization yields an explicit end-to-end rate.
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.
Learning solution operators for differential equations is a central problem in scientific machine learning. However, many neural operator methods optimize prediction accuracy without explicitly enforcing the geometric structure of the dynamics. Structure-preserving models such as SympNets and Symplectic Neural Flows address this issue for conservative Hamiltonian systems by preserving the symplectic form. In dissipative Hamiltonian systems with conformal symplectic structure, however, the symplectic form evolves according to a conformal factor determined by the dissipation. We propose CoSynFlow, a conformal symplectic neural flow for learning continuous-time solution maps of dissipative Hamiltonian dynamics. CoSynFlow composes symplectic shear maps with explicit conformal scaling, preserving the conformal symplectic structure by construction. By conditioning it on a finite-dimensional Hamiltonian descriptor and the dissipation parameter, a single trained model predicts solution maps for unseen systems without retraining. CoSynFlow keeps the structure error at machine precision, attains the lowest long-horizon error, and admits physics-informed training.
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.
Florian Krach, Oliver Löthgren, Josef Teichmannstat.ML cs.LG
In this paper, we study the extension of Neural Jump ODEs to infinite-dimensional function spaces. In particular, the underlying process $X$ now takes values in $L^2(Ξ, \mathbb{R}^{d_X})$ instead of $\mathbb{R}^{d_X}$ and the Operator NJ-ODE approximates the optimal predictor of this process by producing a representative of the conditional expectation. The NJ-ODE model is a framework for online learning the optimal prediction of continuous-time stochastic processes, given discrete, possibly irregular and incomplete past observations. In a series of works, this model has been extended to deal with generic path-dependent processes, with observation noise and dependent observations, with long-term predictions, and with input-output systems. However, throughout all of these works, the underlying processes were restricted to be finite-dimensional. In particular, function-valued problems, like yield curve or volatility surface predictions, could only be handled through discretization, which inherently leads to a loss of information. In this work, we build on ideas from Neural Operator methods that allow us to extend the NJ-ODE framework to an infinite-dimensional output process. To prove convergence of the NJ-ODE to the optimal prediction process, we develop a new approximation strategy that also generalizes previous works in the finite-dimensional setting by considerably weakening the assumptions.
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.
Anastasis Kratsios, Giulia Livieri, Philipp Schmockermath.PR cs.LG q-fin.CP stat.ML
We address fundamental challenges in representing and computing $\mathbb{R}^{d}$-valued predictable square-integrable processes over $[0,T]$, collected in the space $\mathcal{H}^2_T(\mathbb{R}^{d})$. These processes are central to continuous-time stochastic control, reinforcement learning, and mathematical finance. Although Wiener-chaos expansions offer strong theoretical tools, traditional computational methods are hindered by the need for large chaos dictionaries and high-order iterated integrals. To overcome these obstacles, we introduce NeuralChaos -- a neural operator architecture that produces elements of $\mathcal{H}^2_T(\mathbb{R}^{d})$ using only finitely many evaluations of the driving Brownian motion, while preserving predictability and square-integrability. We prove that NeuralChaos is dense in $\mathcal{H}^2_T(\mathbb{R}^{d})$ and achieves the best $N$-term chaoslet approximation rates for compressible and Malliavin--Sobolev regular processes. Moreover, compressibility is shown to be typical for processes from $\mathcal{H}^2_T(\mathbb{R}^{d})$ under non-degenerate sub-Gaussian sampling. In contrast, we show that finite-dimensional Markovian neural SDE models constitute a meagre and Gaussian-null subset in $\mathcal{H}^2_T(\mathbb{R}^{d})$, regardless of discretization, whereas compressible processes are generic. Numerical experiments on a stochastic optimal control problem and dynamic hedging highlight the practical effectiveness of our approach. Our results enable more efficient and expressive modelling in stochastic analysis and mathematical finance.
Marc Haltmayer, Jaemin Seo, Yuseung Lee +3math.NA cs.AI cs.LG
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.
Dimitrije Ždrale, Cassie An Jeng, Katie Wang +3cs.LG cs.AI
We introduce HypNO, a graph-based neural operator for scalar hyperbolic conservation laws. HypNO operates directly on a space-time graph of finite-volume cells and uses adjacency-factored, physics-informed message passing to respect upwinding and entropy admissibility near shocks. We benchmark the architecture on the Lighthill-Whitham-Richards (LWR) and Aw-Rascle-Zhang (ARZ) traffic-flow models, a stress test for operator-learning methods because of their simultaneous global transport and shock formation. HypNO predicts solution snapshots accurately across a range of initial conditions while capturing the shocks and discontinuities of the solution.
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.
Neural operators have become a common approach for learning PDE solution maps and accelerating numerical simulations. Transformer-based neural operators are of particular interest, since attention can learn long-range dependencies in the computational domain. However, standard attention has two major limitations when applied to PDEs: it scales quadratically with the number of computational nodes, and it lacks an explicit bias toward local interactions. To address these issues, we introduce Local Linear Transformer (LLT) for PDE operator learning. The architecture combines linear global attention with local spatial mixing, and incorporates coordinate and geometry information. We evaluate LLT on several PDE problems, including elasticity, plasticity, airfoil flow, pipe flow, and Darcy flow. The reference data for these problems span finite-element, finite-volume, and finite-difference discretizations on structured and unstructured meshes. Compared with other neural-operator and transformer baselines from prior studies, LLT achieves competitive or lower relative $L_2$ error across these problems. On matched structured discretizations, wall-clock time per training iteration is reduced by factors of 1.8 to 2.5 relative to Transolver. We also scale the approach and apply it to a three-dimensional car aerodynamics dataset with 32,186 unstructured mesh points per sample. Together, these results indicate that LLT provides an accurate and computationally efficient operator for PDE problems across discretizations, mesh types, and problem settings.