Samuel Lanthaler

Roberto Molinaro, Samuel Lanthaler, Bogdan Raonić et al.

We present a generative AI algorithm for addressing the pressing task of fast, accurate, and robust statistical computation of three-dimensional turbulent fluid flows. Our algorithm, termed as GenCFD, is based on an end-to-end conditional score-based diffusion model. Through extensive numerical experimentation with a set of challenging fluid flows, we demonstrate that GenCFD provides an accurate approximation of relevant statistical quantities of interest while also efficiently generating high-quality realistic samples of turbulent fluid flows and ensuring excellent spectral resolution. In contrast, ensembles of deterministic ML algorithms, trained to minimize mean square errors, regress to the mean flow. We present rigorous theoretical results uncovering the surprising mechanisms through which diffusion models accurately generate fluid flows. These mechanisms are illustrated with solvable toy models that exhibit the mathematically relevant features of turbulent fluid flows while being amenable to explicit analytical formulae. Our codes are publicly available at https://github.com/camlab-ethz/GenCFD.

Samuel Lanthaler, Zongyi Li, Andrew M. Stuart

Neural operator architectures approximate operators between infinite-dimensional Banach spaces of functions. They are gaining increased attention in computational science and engineering, due to their potential both to accelerate traditional numerical methods and to enable data-driven discovery. As the field is in its infancy basic questions about minimal requirements for universal approximation remain open. It is clear that any general approximation of operators between spaces of functions must be both nonlocal and nonlinear. In this paper we describe how these two attributes may be combined in a simple way to deduce universal approximation. In so doing we unify the analysis of a wide range of neural operator architectures and open up consideration of new ones. A popular variant of neural operators is the Fourier neural operator (FNO). Previous analysis proving universal operator approximation theorems for FNOs resorts to use of an unbounded number of Fourier modes, relying on intuition from traditional analysis of spectral methods. The present work challenges this point of view: (i) the work reduces FNO to its core essence, resulting in a minimal architecture termed the ``averaging neural operator'' (ANO); and (ii) analysis of the ANO shows that even this minimal ANO architecture benefits from universal approximation. This result is obtained based on only a spatial average as its only nonlocal ingredient (corresponding to retaining only a \emph{single} Fourier mode in the special case of the FNO). The analysis paves the way for a more systematic exploration of nonlocality, both through the development of new operator learning architectures and the analysis of existing and new architectures. Numerical results are presented which give insight into complexity issues related to the roles of channel width (embedding dimension) and number of Fourier modes.

Samuel Lanthaler, Andrew M. Stuart

Neural operator architectures employ neural networks to approximate operators mapping between Banach spaces of functions; they may be used to accelerate model evaluations via emulation, or to discover models from data. Consequently, the methodology has received increasing attention over recent years, giving rise to the rapidly growing field of operator learning. The first contribution of this paper is to prove that for general classes of operators which are characterized only by their $C^r$- or Lipschitz-regularity, operator learning suffers from a "curse of parametric complexity", which is an infinite-dimensional analogue of the well-known curse of dimensionality encountered in high-dimensional approximation problems. The result is applicable to a wide variety of existing neural operators, including PCA-Net, DeepONet and the FNO.The second contribution of the paper is to prove that this general curse can be overcome for solution operators defined by the Hamilton-Jacobi equation; this is achieved by leveraging additional structure in the underlying solution operator, going beyond regularity. To this end, a novel neural operator architecture is introduced, termed HJ-Net, which explicitly takes into account characteristic information of the underlying Hamiltonian system. Error and complexity estimates are derived for HJ-Net which show that this architecture can provably beat the curse of parametric complexity related to the infinite-dimensional input and output function spaces.

Samuel Lanthaler, Roberto Molinaro, Patrik Hadorn et al.

A large class of hyperbolic and advection-dominated PDEs can have solutions with discontinuities. This paper investigates, both theoretically and empirically, the operator learning of PDEs with discontinuous solutions. We rigorously prove, in terms of lower approximation bounds, that methods which entail a linear reconstruction step (e.g. DeepONet or PCA-Net) fail to efficiently approximate the solution operator of such PDEs. In contrast, we show that certain methods employing a non-linear reconstruction mechanism can overcome these fundamental lower bounds and approximate the underlying operator efficiently. The latter class includes Fourier Neural Operators and a novel extension of DeepONet termed shift-DeepONet. Our theoretical findings are confirmed by empirical results for advection equation, inviscid Burgers' equation and compressible Euler equations of aerodynamics.

Samuel Lanthaler

PCA-Net is a recently proposed neural operator architecture which combines principal component analysis (PCA) with neural networks to approximate operators between infinite-dimensional function spaces. The present work develops approximation theory for this approach, improving and significantly extending previous work in this direction: First, a novel universal approximation result is derived, under minimal assumptions on the underlying operator and the data-generating distribution. Then, two potential obstacles to efficient operator learning with PCA-Net are identified, and made precise through lower complexity bounds; the first relates to the complexity of the output distribution, measured by a slow decay of the PCA eigenvalues. The other obstacle relates to the inherent complexity of the space of operators between infinite-dimensional input and output spaces, resulting in a rigorous and quantifiable statement of a "curse of parametric complexity", an infinite-dimensional analogue of the well-known curse of dimensionality encountered in high-dimensional approximation problems. In addition to these lower bounds, upper complexity bounds are finally derived. A suitable smoothness criterion is shown to ensure an algebraic decay of the PCA eigenvalues. Furthermore, it is shown that PCA-Net can overcome the general curse for specific operators of interest, arising from the Darcy flow and the Navier-Stokes equations.

Bogdan Raonić, Siddhartha Mishra, Samuel Lanthaler

Data-driven models are increasingly adopted in critical scientific fields like weather forecasting and fluid dynamics. These methods can fail on out-of-distribution (OOD) data, but detecting such failures in regression tasks is an open challenge. We propose a new OOD detection method based on estimating joint likelihoods using a score-based diffusion model. This approach considers not just the input but also the regression model's prediction, providing a task-aware reliability score. Across numerous scientific datasets, including PDE datasets, satellite imagery and brain tumor segmentation, we show that this likelihood strongly correlates with prediction error. Our work provides a foundational step towards building a verifiable 'certificate of trust', thereby offering a practical tool for assessing the trustworthiness of AI-based scientific predictions. Our code is publicly available at https://github.com/bogdanraonic3/OOD_Detection_ScientificML

Nikola B. Kovachki, Samuel Lanthaler, Andrew M. Stuart

Operator learning refers to the application of ideas from machine learning to approximate (typically nonlinear) operators mapping between Banach spaces of functions. Such operators often arise from physical models expressed in terms of partial differential equations (PDEs). In this context, such approximate operators hold great potential as efficient surrogate models to complement traditional numerical methods in many-query tasks. Being data-driven, they also enable model discovery when a mathematical description in terms of a PDE is not available. This review focuses primarily on neural operators, built on the success of deep neural networks in the approximation of functions defined on finite dimensional Euclidean spaces. Empirically, neural operators have shown success in a variety of applications, but our theoretical understanding remains incomplete. This review article summarizes recent progress and the current state of our theoretical understanding of neural operators, focusing on an approximation theoretic point of view.

Samuel Lanthaler, Andrew M. Stuart, Margaret Trautner

Operator learning is a variant of machine learning that is designed to approximate maps between function spaces from data. The Fourier Neural Operator (FNO) is one of the main model architectures used for operator learning. The FNO combines linear and nonlinear operations in physical space with linear operations in Fourier space, leading to a parameterized map acting between function spaces. Although in definition, FNOs are objects in continuous space and perform convolutions on a continuum, their implementation is a discretized object performing computations on a grid, allowing efficient implementation via the FFT. Thus, there is a discretization error between the continuum FNO definition and the discretized object used in practice that is separate from other previously analyzed sources of model error. We examine this discretization error here and obtain algebraic rates of convergence in terms of the grid resolution as a function of the input regularity. Numerical experiments that validate the theory and describe model stability are performed. In addition, an algorithm is presented that leverages the discretization error and model error decomposition to optimize computational training time.

Philipp Grohs, Samuel Lanthaler, Margaret Trautner

This work studies the sampling complexity of learning with ReLU neural networks and neural operators. For mappings belonging to relevant approximation spaces, we derive upper bounds on the best-possible convergence rate of any learning algorithm, with respect to the number of samples. In the finite-dimensional case, these bounds imply a gap between the parametric and sampling complexities of learning, known as the \emph{theory-to-practice gap}. In this work, a unified treatment of the theory-to-practice gap is achieved in a general $L^p$-setting, while at the same time improving available bounds in the literature. Furthermore, based on these results the theory-to-practice gap is extended to the infinite-dimensional setting of operator learning. Our results apply to Deep Operator Networks and integral kernel-based neural operators, including the Fourier neural operator. We show that the best-possible convergence rate in a Bochner $L^p$-norm is bounded by Monte-Carlo rates of order $1/p$.

Benjamin Savinson, David J. Norris, Siddhartha Mishra et al.

The enormous energy demand of artificial intelligence is driving the development of alternative hardware for deep learning. Physical neural networks try to exploit physical systems to perform machine learning more efficiently. In particular, optical systems can calculate with light using negligible energy. While their computational capabilities were long limited by the linearity of optical materials, nonlinear computations have recently been demonstrated through modified input encoding. Despite this breakthrough, our inability to determine if physical neural networks can learn arbitrary relationships between data -- a key requirement for deep learning known as universality -- hinders further progress. Here we present a fundamental theorem that establishes a universality condition for physical neural networks. It provides a powerful mathematical criterion that imposes device constraints, detailing how inputs should be encoded in the tunable parameters of the physical system. Based on this result, we propose a scalable architecture using free-space optics that is provably universal and achieves high accuracy on image classification tasks. Further, by combining the theorem with temporal multiplexing, we present a route to potentially huge effective system sizes in highly practical but poorly scalable on-chip photonic devices. Our theorem and scaling methods apply beyond optical systems and inform the design of a wide class of universal, energy-efficient physical neural networks, justifying further efforts in their development.

Yicheng Zou, Samuel Lanthaler, Hossein Salahshoor

Deterministic neural operators perform well on many PDEs but can struggle with the approximation of high-frequency wave phenomena, where strong input-to-output sensitivity makes operator learning challenging, and spectral bias blurs oscillations. We argue for adopting a probabilistic approach for approximating waves in high-frequency regime, and develop our probabilistic framework using a score-based conditional diffusion operator. After demonstrating a stability analysis of the Helmholtz operator, we present our numerical experiments across a wide range of frequencies, benchmarked against other popular data-driven and machine learning approaches for waves. We show that our probabilistic neural operator consistently produces robust predictions with the lowest errors in $L^2$, $H^1$, and energy norms. Moreover, unlike all the other tested deterministic approaches, our framework remarkably captures uncertainties in the input sound speed map propagated to the solution field. We envision that our results position probabilistic operator learning as a principled and effective approach for solving complex PDEs such as Helmholtz in the challenging high-frequency regime.

Nodens Koren, Samuel Lanthaler

We propose the State Space Neural Operator (SS-NO), a compact architecture for learning solution operators of time-dependent partial differential equations (PDEs). Our formulation extends structured state space models (SSMs) to joint spatiotemporal modeling, introducing two key mechanisms: adaptive damping, which stabilizes learning by localizing receptive fields, and learnable frequency modulation, which enables data-driven spectral selection. These components provide a unified framework for capturing long-range dependencies with parameter efficiency. Theoretically, we establish connections between SSMs and neural operators, proving a universality theorem for convolutional architectures with full field-of-view. Empirically, SS-NO achieves state-of-the-art performance across diverse PDE benchmarks-including 1D Burgers' and Kuramoto-Sivashinsky equations, and 2D Navier-Stokes and compressible Euler flows-while using significantly fewer parameters than competing approaches. A factorized variant of SS-NO further demonstrates scalable performance on challenging 2D problems. Our results highlight the effectiveness of damping and frequency learning in operator modeling, while showing that lightweight factorization provides a complementary path toward efficient large-scale PDE learning.

Zongyi Li, Samuel Lanthaler, Catherine Deng et al.

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.

Samuel Lanthaler

Operator learning based on neural operators has emerged as a promising paradigm for the data-driven approximation of operators, mapping between infinite-dimensional Banach spaces. Despite significant empirical progress, our theoretical understanding regarding the efficiency of these approximations remains incomplete. This work addresses the parametric complexity of neural operator approximations for the general class of Lipschitz continuous operators. Motivated by recent findings on the limitations of specific architectures, termed curse of parametric complexity, we here adopt an information-theoretic perspective. Our main contribution establishes lower bounds on the metric entropy of Lipschitz operators in two approximation settings; uniform approximation over a compact set of input functions, and approximation in expectation, with input functions drawn from a probability measure. It is shown that these entropy bounds imply that, regardless of the activation function used, neural operator architectures attaining an approximation accuracy $ε$ must have a size that is exponentially large in $ε^{-1}$. The size of architectures is here measured by counting the number of encoded bits necessary to store the given model in computational memory. The results of this work elucidate fundamental trade-offs and limitations in operator learning.

Samuel Lanthaler, Nicholas H. Nelsen

This paper provides a comprehensive error analysis of learning with vector-valued random features (RF). The theory is developed for RF ridge regression in a fully general infinite-dimensional input-output setting, but nonetheless applies to and improves existing finite-dimensional analyses. In contrast to comparable work in the literature, the approach proposed here relies on a direct analysis of the underlying risk functional and completely avoids the explicit RF ridge regression solution formula in terms of random matrices. This removes the need for concentration results in random matrix theory or their generalizations to random operators. The main results established in this paper include strong consistency of vector-valued RF estimators under model misspecification and minimax optimal convergence rates in the well-specified setting. The parameter complexity (number of random features) and sample complexity (number of labeled data) required to achieve such rates are comparable with Monte Carlo intuition and free from logarithmic factors.

Samuel Lanthaler, T. Konstantin Rusch, Siddhartha Mishra

Coupled oscillators are being increasingly used as the basis of machine learning (ML) architectures, for instance in sequence modeling, graph representation learning and in physical neural networks that are used in analog ML devices. We introduce an abstract class of neural oscillators that encompasses these architectures and prove that neural oscillators are universal, i.e, they can approximate any continuous and casual operator mapping between time-varying functions, to desired accuracy. This universality result provides theoretical justification for the use of oscillator based ML systems. The proof builds on a fundamental result of independent interest, which shows that a combination of forced harmonic oscillators with a nonlinear read-out suffices to approximate the underlying operators.

Tim De Ryck, Samuel Lanthaler, Siddhartha Mishra

We derive bounds on the error, in high-order Sobolev norms, incurred in the approximation of Sobolev-regular as well as analytic functions by neural networks with the hyperbolic tangent activation function. These bounds provide explicit estimates on the approximation error with respect to the size of the neural networks. We show that tanh neural networks with only two hidden layers suffice to approximate functions at comparable or better rates than much deeper ReLU neural networks.

Samuel Lanthaler, Siddhartha Mishra

We combine the spectral (viscosity) method and ensemble averaging to propose an algorithm that computes admissible measure valued solutions of the incompressible Euler equations. The resulting approximate young measures are proved to converge (with increasing numerical resolution) to a measure valued solution. We present numerical experiments demonstrating the robustness and efficiency of the proposed algorithm, as well as the appropriateness of measure valued solutions as a solution framework for the Euler equations. Furthermore, we report an extensive computational study of the two dimensional vortex sheet, which indicates that the computed measure valued solution is non-atomic and implies possible non-uniqueness of weak solutions constructed by Delort.