arXiv subjects

Kamyar Azizzadenesheli

Publications and source records attributed to Kamyar Azizzadenesheli.

At least 19 recordsLinked to original sources

arXiv2026

Large-Scale 3D Ground-Motion Synthesis with Physics-Inspired Latent Operator Flow Matching

Earthquake hazard analysis and design of spatially distributed infrastructure, such as power grids and energy pipeline networks, require scenario-specific ground-motion time histories with realistic frequency content and spatiotemporal coherence. However, producing the large ensembles needed for uncertainty quantification with physics-based simulations is computationally intensive and impractical for engineering workflows. To address this challenge, we introduce Ground-Motion Flow (GMFlow), a physics-inspired latent operator flow matching framework that generates realistic, large-scale regional ground-motion time-histories conditioned on physical parameters. Validated on simulated earthquake scenarios in the San Francisco Bay Area, GMFlow generates spatially coherent ground motion across more than 9 million grid points in seconds, achieving a 10,000-fold speedup over the simulation workflow, which opens a path toward rapid and uncertainty-aware hazard assessment for distributed infrastructure. More broadly, GMFlow advances mesh-agnostic functional generative modeling and could potentially be extended to the synthesis of large-scale spatiotemporal physical fields in diverse scientific domains.

cs.LG↗

arXiv2026

Enforcing Reciprocity in Operator Learning for Seismic Wave Propagation

Accurate and efficient wavefield modeling underpins seismic structure and source studies. Traditional methods comply with physical laws but are computationally intensive. Data-driven methods, while opening new avenues for advancement, have yet to incorporate strict physical consistency. The principle of reciprocity is one of the most fundamental physical laws in wave propagation. We introduce the Reciprocity-Enforced Neural Operator (RENO), a transformer-based architecture for modeling seismic wave propagation that hard-codes the reciprocity principle. The model leverages the cross-attention mechanism and commutative operations to guarantee invariance under swapping source and receiver positions. Beyond improved physical consistency, the proposed architecture supports simultaneous realizations for multiple sources. This yields an order-of-magnitude inference speedup at a similar memory footprint over a conventional neural operator on a realistic multi-source configuration. We demonstrate the functionality using the reciprocity relation for particle velocity fields under single forces. This architecture is also applicable to pressure fields under dilatational sources and travel-time fields governed by the eikonal equation, paving the way for encoding more complex reciprocity relations.

physics.geo-ph↗

arXiv2025

Physics-informed Neural-operator Predictive Control for Drag Reduction in Turbulent Flows

Assessing turbulence control effects for wall friction numerically is a significant challenge since it requires expensive simulations of turbulent fluid dynamics. We instead propose an efficient deep reinforcement learning (RL) framework for modeling and control of turbulent flows. It is model-based RL for predictive control (PC), where both the policy and the observer models for turbulence control are learned jointly using Physics Informed Neural Operators (PINO), which are discretization invariant and can capture fine scales in turbulent flows accurately. Our PINO-PC outperforms prior model-free reinforcement learning methods in various challenging scenarios where the flows are of high Reynolds numbers and unseen, i.e., not provided during model training. We find that PINO-PC achieves a drag reduction of 39.0\% under a bulk-velocity Reynolds number of 15,000, outperforming previous fluid control methods by more than 32\%.

cs.LG↗

arXiv2025

Physics-Aware Neural Operators for Direct Inversion in 3D Photoacoustic Tomography

Learning physics-constrained inverse operators-rather than post-processing physics-based reconstructions-is a broadly applicable strategy for problems with expensive forward models. We demonstrate this principle in three-dimensional photoacoustic computed tomography (3D PACT), where current systems demand dense transducer arrays and prolonged scans, restricting clinical translation. We introduce PANO (PACT imaging neural operator), an end-to-end physics-aware neural operator-a deep learning architecture that generalizes across input sampling densities without retraining-that directly learns the inverse mapping from raw sensor measurements to a 3D volumetric image. Unlike two-step methods that reconstruct then denoise, PANO performs direct inversion in a single pass, jointly embedding physics and data priors. It employs spherical discrete-continuous convolutions to respect hemispherical sensor geometry and Helmholtz equation constraints to ensure physical consistency. PANO reconstructs high-quality images from both simulated and real data across diverse sparse acquisition settings, achieves real-time inference and outperforms the widely-used UBP algorithm by approximately 33 percentage points in cosine similarity on simulated data and 14 percentage points on real phantom data. These results establish a pathway toward more accessible 3D PACT systems for preclinical research, and motivate future in-vivo validation for clinical translation.

eess.IV↗

arXiv2025

Neural Spline Operators for Risk Quantification in Stochastic Systems

Accurately quantifying long-term risk probabilities in diverse stochastic systems is essential for safety-critical control. However, existing sampling-based and partial differential equation (PDE)-based methods often struggle to handle complex varying dynamics. Physics-informed neural networks learn surrogate mappings for risk probabilities from varying system parameters of fixed and finite dimensions, yet can not account for functional variations in system dynamics. To address these challenges, we introduce physics-informed neural operator (PINO) methods to risk quantification problems, to learn mappings from varying \textit{functional} system dynamics to corresponding risk probabilities. Specifically, we propose Neural Spline Operators (NeSO), a PINO framework that leverages B-spline representations to improve training efficiency and achieve better initial and boundary condition enforcements, which are crucial for accurate risk quantification. We provide theoretical analysis demonstrating the universal approximation capability of NeSO. We also present two case studies, one with varying functional dynamics and another with high-dimensional multi-agent dynamics, to demonstrate the efficacy of NeSO and its significant online speed-up over existing methods. The proposed framework and the accompanying universal approximation theorem are expected to be beneficial for other control or PDE-related problems beyond risk quantification.

eess.SY↗

arXiv2025

SPIDER: Scalable Probabilistic Inference for Differential Earthquake Relocation

Seismicity catalogs are larger than ever due to an explosion of techniques for enhanced earthquake detection and an abundance of high-quality datasets. Bayesian inference is an appealing framework for locating earthquakes due to its ability to propagate and quantify uncertainty into the inversion results, but traditional methods do not scale well to high-dimensional parameter spaces, making them unsuitable for double-difference relocation where the number of parameters can reach the millions. Here we introduce SPIDER, a scalable Bayesian inference framework for double-difference hypocenter relocation. SPIDER uses a physics-informed neural network Eikonal solver together with a highly efficient sampler called Stochastic Gradient Langevin Dynamics to generate posterior samples jointly for entire seismicity catalogs. We show that traditional double-difference relocation formulations neglect residual correlation between observations with common events, which biases uncertainty estimates. Our formulation is designed to whiten this residual correlation, and is readily parallelized over multiple GPUs for enhanced computational efficiency. We demonstrate the capabilities of SPIDER on a rigorous synthetic seismicity catalog and three real data catalogs from California and Japan. We introduce several ways to analyze high-dimensional posterior distributions to aid in scientific interpretation and evaluation.

physics.geo-ph↗

arXiv2025

Scale-Consistent Learning for Partial Differential Equations

Machine learning (ML) models have emerged as a promising approach for solving partial differential equations (PDEs) in science and engineering. Previous ML models typically cannot generalize outside the training data; for example, a trained ML model for the Navier-Stokes equations only works for a fixed Reynolds number ($Re$) on a pre-defined domain. To overcome these limitations, we propose a data augmentation scheme based on scale-consistency properties of PDEs and design a scale-informed neural operator that can model a wide range of scales. Our formulation leverages the facts: (i) PDEs can be rescaled, or more concretely, a given domain can be re-scaled to unit size, and the parameters and the boundary conditions of the PDE can be appropriately adjusted to represent the original solution, and (ii) the solution operators on a given domain are consistent on the sub-domains. We leverage these facts to create a scale-consistency loss that encourages matching the solutions evaluated on a given domain and the solution obtained on its sub-domain from the rescaled PDE. Since neural operators can fit to multiple scales and resolutions, they are the natural choice for incorporating scale-consistency loss during training of neural PDE solvers. We experiment with scale-consistency loss and the scale-informed neural operator model on the Burgers' equation, Darcy Flow, Helmholtz equation, and Navier-Stokes equations. With scale-consistency, the model trained on $Re$ of 1000 can generalize to $Re$ ranging from 250 to 10000, and reduces the error by 34% on average of all datasets compared to baselines.

cs.LG↗

arXiv2025

NeuralDMD: Interpretable Neural Representation of Dynamics from Sparse and Noisy Measurements

Many challenges in scientific imaging involve solving ill-posed inverse problems, where the goal is to recover spatio-temporal fields from indirect, noisy, and highly sparse measurements - often without access to ground truth data or reliable simulators. To address this challenging scenario, we present NeuralDMD, an interpretable, untrained (per-instance) reconstruction framework that combines neural implicit representations with Dynamic Mode Decomposition (DMD) to reconstruct continuous spatio-temporal dynamics directly from measurements. NeuralDMD parameterizes DMD modes as continuous neural fields, and imposes a low-rank linear dynamics prior with spectral time evolution to enforce temporal continuity. This formulation enables both forecasting under sparsity, and yields interpretable modes and spectra. We find that NeuralDMD outperforms baselines on a wide variety of tasks: from weather data assimilation from sparse station observations to interferometric (Fourier domain) observations of Sagittarius A, the black hole at the center of our galaxy. Moreover, NeuralDMD remains stable when extrapolating into the future. While this framework is most naturally suited to linear dynamics, we show that it can be applied to nonlinear regimes, though with extrapolation performance that degrades with increasing nonlinearity. Together, these results show that NeuralDMD enables interpretable reconstruction and forecasting of spatio-temporal dynamics directly from sparse and indirect measurements without relying on numerical simulators or training data.

cs.CV↗

arXiv2025

Mesh-Informed Neural Operator : A Transformer Generative Approach

Generative models in function spaces, situated at the intersection of generative modeling and operator learning, are attracting increasing attention due to their immense potential in diverse scientific and engineering applications. While functional generative models are theoretically domain- and discretization-agnostic, current implementations heavily rely on the Fourier Neural Operator (FNO), limiting their applicability to regular grids and rectangular domains. To overcome these critical limitations, we introduce the Mesh-Informed Neural Operator (MINO). By leveraging graph neural operators and cross-attention mechanisms, MINO offers a principled, domain- and discretization-agnostic backbone for generative modeling in function spaces. This advancement significantly expands the scope of such models to more diverse applications in generative, inverse, and regression tasks. Furthermore, MINO provides a unified perspective on integrating neural operators with general advanced deep learning architectures. Finally, we introduce a suite of standardized evaluation metrics that enable objective comparison of functional generative models, addressing another critical gap in the field.

cs.LG↗

arXiv2025

Principled Approaches for Extending Neural Architectures to Function Spaces for Operator Learning

A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs

cs.LG↗

arXiv2025

Return of ChebNet: Understanding and Improving an Overlooked GNN on Long Range Tasks

ChebNet, one of the earliest spectral GNNs, has largely been overshadowed by Message Passing Neural Networks (MPNNs), which gained popularity for their simplicity and effectiveness in capturing local graph structure. Despite their success, MPNNs are limited in their ability to capture long-range dependencies between nodes. This has led researchers to adapt MPNNs through rewiring or make use of Graph Transformers, which compromises the computational efficiency that characterized early spatial message-passing architectures, and typically disregards the graph structure. Almost a decade after its original introduction, we revisit ChebNet to shed light on its ability to model distant node interactions. We find that out-of-box, ChebNet already shows competitive advantages relative to classical MPNNs and GTs on long-range benchmarks, while maintaining good scalability properties for high-order polynomials. However, we uncover that this polynomial expansion leads ChebNet to an unstable regime during training. To address this limitation, we cast ChebNet as a stable and non-dissipative dynamical system, which we coin Stable-ChebNet. Our Stable-ChebNet model allows for stable information propagation, and has controllable dynamics which do not require the use of eigendecompositions, positional encodings, or graph rewiring. Across several benchmarks, Stable-ChebNet achieves near state-of-the-art performance.

cs.LG↗

arXiv2025

Neural Operators for Forward and Inverse Potential-Density Mappings in Classical Density Functional Theory

Neural operators are capable of capturing nonlinear mappings between infinite-dimensional functional spaces, offering a data-driven approach to modeling complex functional relationships in classical density functional theory (cDFT). In this work, we evaluate the performance of several neural operator architectures in learning the functional relationships between the one-body density profile $\rho(x)$, the one-body direct correlation function $c_1(x)$, and the external potential $V_{ext}(x)$ of inhomogeneous one-dimensional (1D) hard-rod fluids, using training data generated from analytical solutions of the underlying statistical-mechanical model. We compared their performance in terms of the Mean Squared Error (MSE) loss in establishing the functional relationships as well as in predicting the excess free energy across two test sets: (1) a group test set generated via random cross-validation (CV) to assess interpolation capability, and (2) a newly constructed dataset for leave-one-group CV to evaluate extrapolation performance. Our results show that FNO achieves the most accurate predictions of the excess free energy, with the squared ReLU activation function outperforming other activation choices. Among the DeepONet variants, the Residual Multiscale Convolutional Neural Network (RMSCNN) combined with a trainable Gaussian derivative kernel (GK-RMSCNN-DeepONet) demonstrates the best performance. Additionally, we applied the trained models to solve for the density profiles at various external potentials and compared the results with those obtained from the direct mapping $V_{ext} \mapsto \rho$ with neural operators, as well as with Gaussian Process Regression (GPR) combined with Active Learning by Error Control (ALEC), which has shown strong performance in previous studies.

physics.chem-ph↗

arXiv2025

Guided Diffusion Sampling on Function Spaces with Applications to PDEs

We propose a general framework for conditional sampling in PDE-based inverse problems, targeting the recovery of whole solutions from extremely sparse or noisy measurements. This is accomplished by a function-space diffusion model and plug-and-play guidance for conditioning. Our method first trains an unconditional, discretization-agnostic denoising model using neural operator architectures. At inference, we refine the samples to satisfy sparse observation data via a gradient-based guidance mechanism. Through rigorous mathematical analysis, we extend Tweedie's formula to infinite-dimensional Banach spaces, providing the theoretical foundation for our posterior sampling approach. Our method (FunDPS) accurately captures posterior distributions in function spaces under minimal supervision and severe data scarcity. Across five PDE tasks with only 3% observation, our method achieves an average 32% accuracy improvement over state-of-the-art fixed-resolution diffusion baselines while reducing sampling steps by 4x. Furthermore, multi-resolution fine-tuning ensures strong cross-resolution generalizability. To the best of our knowledge, this is the first diffusion-based framework to operate independently of discretization, offering a practical and flexible solution for forward and inverse problems in the context of PDEs. Code is available at https://github.com/neuraloperator/FunDPS

cs.LG↗

arXiv2025

Deep Generative Prior for First Order Inverse Optimization

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.

cs.AI↗

arXiv2025

Enabling Automatic Differentiation with Mollified Graph Neural Operators

Physics-informed neural operators offer a powerful framework for learning solution operators of partial differential equations (PDEs) by combining data and physics losses. However, these physics losses rely on derivatives. Computing these derivatives remains challenging, with spectral and finite difference methods introducing approximation errors due to finite resolution. Here, we propose the mollified graph neural operator ($m$GNO), the first method to leverage automatic differentiation and compute exact gradients on arbitrary geometries. This enhancement enables efficient training on irregular grids and varying geometries while allowing seamless evaluation of physics losses at randomly sampled points for improved generalization. For a PDE example on regular grids, $m$GNO paired with autograd reduced the L2 relative data error by 20x compared to finite differences, although training was slower. It can also solve PDEs on unstructured point clouds seamlessly, using physics losses only, at resolutions vastly lower than those needed for finite differences to be accurate enough. On these unstructured point clouds, $m$GNO leads to errors that are consistently 2 orders of magnitude lower than machine learning baselines (Meta-PDE, which accelerates PINNs) for comparable runtimes, and also delivers speedups from 1 to 3 orders of magnitude compared to the numerical solver for similar accuracy. $m$GNOs can also be used to solve inverse design and shape optimization problems on complex geometries.

cs.LG↗

arXiv2025

Ambient Noise Full Waveform Inversion with Neural Operators

Numerical simulations of seismic wave propagation are crucial for investigating velocity structures and improving seismic hazard assessment. However, standard methods such as finite difference or finite element are computationally expensive. Recent studies have shown that a new class of machine learning models, called neural operators, can solve the elastodynamic wave equation orders of magnitude faster than conventional methods. Full waveform inversion is a prime beneficiary of the accelerated simulations. Neural operators, as end-to-end differentiable operators, combined with automatic differentiation, provide an alternative approach to the adjoint-state method. State-of-the-art optimization techniques built into PyTorch provide neural operators with greater flexibility to improve the optimization dynamics of full waveform inversion, thereby mitigating cycle-skipping problems. In this study, we demonstrate the first application of neural operators for full waveform inversion on a real seismic dataset, which consists of several nodal transects collected across the San Gabriel, Chino, and San Bernardino basins in the Los Angeles metropolitan area.

physics.geo-ph↗

arXiv2025

Fourier Neural Operator based surrogates for $CO_2$ storage in realistic geologies

This study aims to develop surrogate models for accelerating decision making processes associated with carbon capture and storage (CCS) technologies. Selection of sub-surface $CO_2$ storage sites often necessitates expensive and involved simulations of $CO_2$ flow fields. Here, we develop a Fourier Neural Operator (FNO) based model for real-time, high-resolution simulation of $CO_2$ plume migration. The model is trained on a comprehensive dataset generated from realistic subsurface parameters and offers $O(10^5)$ computational acceleration with minimal sacrifice in prediction accuracy. We also explore super-resolution experiments to improve the computational cost of training the FNO based models. Additionally, we present various strategies for improving the reliability of predictions from the model, which is crucial while assessing actual geological sites. This novel framework, based on NVIDIA's Modulus library, will allow rapid screening of sites for CCS. The discussed workflows and strategies can be applied to other energy solutions like geothermal reservoir modeling and hydrogen storage. Our work scales scientific machine learning models to realistic 3D systems that are more consistent with real-life subsurface aquifers/reservoirs, paving the way for next-generation digital twins for subsurface CCS applications.

physics.comp-ph↗

arXiv2025

Reducing Frequency Bias of Fourier Neural Operators in 3D Seismic Wavefield Simulations Through Multi-Stage Training

The recent development of Neural Operator (NeurOp) learning for solutions to the elastic wave equation shows promising results and provides the basis for fast large-scale simulations for different seismological applications. In this paper, we use the Fourier Neural Operator (FNO) model to directly solve the 3D Helmholtz wave equation for fast seismic ground motion simulations on different frequencies, and show the frequency bias of the FNO model, i.e. it learns the lower frequencies better comparing to the higher frequencies. To reduce the frequency bias, we adopt the multi-stage FNO training, i.e., after training a 1st stage FNO model for estimating the ground motion, we use a second FNO model as the 2nd stage to learn from the residual, which greatly reduced the errors on the higher frequencies. By adopting this multi-stage training, the FNO models show reduced biases on higher frequencies, which enhanced the overall results of the ground motion simulations. Thus the multi-stage training FNO improves the accuracy and realism of the ground motion simulations.

physics.geo-ph↗