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Amortized Fourier Neural Operators

Neural Information Processing Systems

Fourier Neural Operators (FNOs) have shown promise for solving partial differential equations (PDEs).Typically, FNOs employ separate parameters for different frequency modes to specify tunable kernel integrals in Fourier space, which, yet, results in an undesirably large number of parameters when solving high-dimensional PDEs. A workaround is to abandon the frequency modes exceeding a predefined threshold, but this limits the FNOs' ability to represent high-frequency details and poses non-trivial challenges for hyper-parameter specification. To address these, we propose AMortized Fourier Neural Operator (AM-FNO), where an amortized neural parameterization of the kernel function is deployed to accommodate arbitrarily many frequency modes using a fixed number of parameters. We introduce two implementations of AM-FNO, based on the recently developed, appealing Kolmogorov-Arnold Network (KAN) and Multi-Layer Perceptrons (MLPs) equipped with orthogonal embedding functions respectively. We extensively evaluate our method on diverse datasets from various domains and observe up to 31\% average improvement compared to competing neural operator baselines.


Compositional Generation for Long-Horizon Coupled PDEs

Dhulipala, Somayajulu L. N., Ray, Deep, Forman, Nicholas

arXiv.org Machine Learning

Simulating coupled PDE systems is computationally intensive, and prior efforts have largely focused on training surrogates on the joint (coupled) data, which requires a large amount of data. In the paper, we study compositional diffusion approaches where diffusion models are only trained on the decoupled PDE data and are composed at inference time to recover the coupled field. Specifically, we investigate whether the compositional strategy can be feasible under long time horizons involving a large number of time steps. In addition, we compare a baseline diffusion model with that trained using the v-parameterization strategy. We also introduce a symmetric compositional scheme for the coupled fields based on the Euler scheme. We evaluate on Reaction-Diffusion and modified Burgers with longer time grids, and benchmark against a Fourier Neural Operator trained on coupled data. Despite seeing only decoupled training data, the compositional diffusion models recover coupled trajectories with low error. v-parameterization can improve accuracy over a baseline diffusion model, while the neural operator surrogate remains strongest given that it is trained on the coupled data. These results show that compositional diffusion is a viable strategy towards efficient, long-horizon modeling of coupled PDEs.


Infinite Neural Operators: Gaussian processes on functions

de Souza, Daniel Augusto, Zhu, Yuchen, Cunningham, Harry Jake, Saporito, Yuri, Mesquita, Diego, Deisenroth, Marc Peter

arXiv.org Machine Learning

A variety of infinitely wide neural architectures (e.g., dense NNs, CNNs, and transformers) induce Gaussian process (GP) priors over their outputs. These relationships provide both an accurate characterization of the prior predictive distribution and enable the use of GP machinery to improve the uncertainty quantification of deep neural networks. In this work, we extend this connection to neural operators (NOs), a class of models designed to learn mappings between function spaces. Specifically, we show conditions for when arbitrary-depth NOs with Gaussian-distributed convolution kernels converge to function-valued GPs. Based on this result, we show how to compute the covariance functions of these NO-GPs for two NO parametrizations, including the popular Fourier neural operator (FNO). With this, we compute the posteriors of these GPs in regression scenarios, including PDE solution operators. This work is an important step towards uncovering the inductive biases of current FNO architectures and opens a path to incorporate novel inductive biases for use in kernel-based operator learning methods.


F-Adapter: Frequency-Adaptive Parameter-Efficient Fine-Tuning in Scientific Machine Learning

Zhang, Hangwei, Kang, Chun, Wang, Yan, Zou, Difan

arXiv.org Artificial Intelligence

Parameter-efficient fine-tuning (PEFT) of powerful pre-trained models for complex downstream tasks has proven effective in vision and language processing, yet this paradigm remains unexplored in scientific machine learning, where the objective is to model complex physical systems. We conduct the first systematic study of PEFT for pre-trained Large Operator Models (LOMs) obtained by scaling variants of Fourier Neural Operator. First, we observe that the widely used Low-Rank Adaptation (LoRA) yields markedly poorer performance on LOMs than Adapter tuning. Then, we further theoretically establish that stacked LoRA incurs a depth-amplified lower bound on approximation error within Fourier layers, whereas adapters retain universal approximation capacity and, by concentrating parameters on energy-dominant low-frequency modes, attain exponentially decaying error with bottleneck width in the Fourier domain. Motivated by the robust empirical gains of adapters and by our theoretical characterization of PDE solutions as spectrally sparse, we introduce Frequency-Adaptive Adapter (F-Adapter). F-Adapter allocates adapter capacity based on spectral complexity, assigning higher-dimension modules to low-frequency components and lower-dimension modules to high-frequency components. Our F-Adapters establish state-of-the-art (SOTA) results on multiple challenging 3D Navier-Stokes benchmarks, markedly enhancing both generalization and spectral fidelity over LoRA and other PEFT techniques commonly used in LLMs. To the best of our knowledge, this work is the first to explore PEFT for scientific machine-learning and establishes F-Adapter as an effective paradigm for this domain.


Deep Generative Prior for First Order Inverse Optimization

Yang, Haoyu, Azizzadenesheli, Kamyar, Ren, Haoxing

arXiv.org Artificial Intelligence

Inverse design optimization aims to infer system parameters from observed solutions, posing critical challenges across domains such as semiconductor manufacturing, structural engineering, materials science, and fluid dynamics. The lack of explicit mathematical representations in many systems complicates this process and makes the first order optimization impossible. Mainstream approaches, including generative AI and Bayesian optimization, address these challenges but have limitations. Generative AI is computationally expensive, while Bayesian optimization, relying on surrogate models, suffers from scalability, sensitivity to priors, and noise issues, often leading to suboptimal solutions. This paper introduces Deep Physics Prior (DPP), a novel method enabling first-order gradient-based inverse optimization with surrogate machine learning models. By leveraging pretrained auxiliary Neural Operators, DPP enforces prior distribution constraints to ensure robust and meaningful solutions. This approach is particularly effective when prior data and observation distributions are unknown.


Meta-Learning Fourier Neural Operators for Hessian Inversion and Enhanced Variational Data Assimilation

Moazzami, Hamidreza, Jamali, Asma, Kevlahan, Nicholas, Vargas-Hernández, Rodrigo A.

arXiv.org Artificial Intelligence

Data assimilation (DA) is crucial for enhancing solutions to partial differential equations (PDEs), such as those in numerical weather prediction, by optimizing initial conditions using observational data. Variational DA methods are widely used in oceanic and atmospheric forecasting, but become computationally expensive, especially when Hessian information is involved. To address this challenge, we propose a meta-learning framework that employs the Fourier Neural Operator (FNO) to approximate the inverse Hessian operator across a family of DA problems, thereby providing an effective initialization for the conjugate gradient (CG) method. Numerical experiments on a linear advection equation demonstrate that the resulting FNO-CG approach reduces the average relative error by $62\%$ and the number of iterations by $17\%$ compared to the standard CG. These improvements are most pronounced in ill-conditioned scenarios, highlighting the robustness and efficiency of FNO-CG for challenging DA problems.



Closed-Loop Neural Operator-Based Observer of Traffic Density

Harting, Alice, Johansson, Karl Henrik, Barreau, Matthieu

arXiv.org Artificial Intelligence

-- We consider the problem of traffic density estimation with sparse measurements from stationary roadside sensors. Our approach uses Fourier neural operators to learn macroscopic traffic flow dynamics from high-fidelity data. T o close the loop, we couple the open-loop operator with a correction operator that combines the predicted density with sparse measurements from the sensors. Simulations with the SUMO software indicate that, compared to open-loop observers, the proposed closed-loop observer exhibits classical closed-loop properties such as robustness to noise and ultimate boundedness of the error . This shows the advantages of combining learned physics with real-time corrections, and opens avenues for accurate, efficient, and interpretable data-driven observers.


A Hybrid Surrogate for Electric Vehicle Parameter Estimation and Power Consumption via Physics-Informed Neural Operators

Lim, Hansol, Choi, Jongseong Brad, Lee, Jee Won, Jeoung, Haeseong, Han, Minkyu

arXiv.org Artificial Intelligence

We present a hybrid surrogate model for electric vehicle parameter estimation and power consumption. We combine our novel architecture Spectral Parameter Operator built on a Fourier Neural Operator backbone for global context and a differentiable physics module in the forward pass. From speed and acceleration alone, it outputs time-varying motor and regenerative braking efficiencies, as well as aerodynamic drag, rolling resistance, effective mass, and auxiliary power. These parameters drive a physics-embedded estimate of battery power, eliminating any separate physics-residual loss. The modular design lets representations converge to physically meaningful parameters that reflect the current state and condition of the vehicle. We evaluate on real-world logs from a Tesla Model 3, Tesla Model S, and the Kia EV9. The surrogate achieves a mean absolute error of 0.2kW (about 1% of average traction power at highway speeds) for Tesla vehicles and about 0.8kW on the Kia EV9. The framework is interpretable, and it generalizes well to unseen conditions, and sampling rates, making it practical for path optimization, eco-routing, on-board diagnostics, and prognostics health management.


Fast and Generalizable parameter-embedded Neural Operators for Lithium-Ion Battery Simulation

Panahi, Amir Ali, Luder, Daniel, Wu, Billy, Offer, Gregory, Sauer, Dirk Uwe, Li, Weihan

arXiv.org Artificial Intelligence

Reliable digital twins of lithium-ion batteries must achieve high physical fidelity with sub-millisecond speed. In this work, we benchmark three operator-learning surrogates for the Single Particle Model (SPM): Deep Operator Networks (DeepONets), Fourier Neural Operators (FNOs) and a newly proposed parameter-embedded Fourier Neural Operator (PE-FNO), which conditions each spectral layer on particle radius and solid-phase diffusivity. Models are trained on simulated trajectories spanning four current families (constant, triangular, pulse-train, and Gaussian-random-field) and a full range of State-of-Charge (SOC) (0 % to 100 %). DeepONet accurately replicates constant-current behaviour but struggles with more dynamic loads. The basic FNO maintains mesh invariance and keeps concentration errors below 1 %, with voltage mean-absolute errors under 1.7 mV across all load types. Introducing parameter embedding marginally increases error, but enables generalisation to varying radii and diffusivities. PE-FNO executes approximately 200 times faster than a 16-thread SPM solver. Consequently, PE-FNO's capabilities in inverse tasks are explored in a parameter estimation task with Bayesian optimisation, recovering anode and cathode diffusivities with 1.14 % and 8.4 % mean absolute percentage error, respectively, and 0.5918 percentage points higher error in comparison with classical methods. These results pave the way for neural operators to meet the accuracy, speed and parametric flexibility demands of real-time battery management, design-of-experiments and large-scale inference. PE-FNO outperforms conventional neural surrogates, offering a practical path towards high-speed and high-fidelity electrochemical digital twins.