Why Multi-Layer Message Passing Works: Completeness Theory for Graph Neural Network Interatomic Potentials

We prove that the Hypergraph Neural Network, an invariant architecture with 3-body message passing, is a universal approximator for potential energy surfaces. Our main contribution is a multi-layer completeness theory. We show that $L$ layers of message passing on sparse, cutoff-based graphs achieve the same representational power as having access to the full $L$-hop neighborhood, provided the configurations are generic, satisfy an overlap condition and a connectivity condition. This provides the first rigorous justification for the common practice of using multi-layer message passing with a per-layer cutoff smaller than the physical interaction range, the setting used by virtually all practical graph neural network based machine-learned interatomic potentials. As immediate consequences, we show that both DPA3 and CHGNet architectures inherit universal approximation.

A Single Atom in Front of a Mirror is a Universal Reservoir Computer

Universal approximation in reservoir computing is typically associated with a class of reservoirs. We show that universality can be associated with a single reservoir, considering a minimal setup of a single atom in front of a mirror. In its linear-transducer limit, our reservoir is a universal approximator of fading-memory maps under an operating class of checkable conditions, with a rate constant measured at the operating point. A given reservoir can reach arbitrary accuracy by changing measurement settings. The proof gives an explicit recipe: for a target accuracy, it specifies the required physical resources and resonator modes. Enlarging the number of accessible modes increases the matchable kernel span without reducing capability. Beyond the linear limit, the atom's saturation replaces high-order polynomial readouts, and the device operates on real-world tasks alongside classical baselines. Our results highlight an example of universality with a minimal quantum setup.

Training-Free Universal Approximation by Prompting Random Transformers

How expressive is prompting a transformer? Answering this question is important for separating the roles of prompting, architecture, and pretraining in transformer models, and for determining whether task-specific behavior must be stored in model weights or can instead be induced at inference time through the prompt. We show, in an approximation-theoretic sense, that pretraining is optional: a single-layer softmax attention network with random, untrained weights can approximate any Hölder function on a compact manifold when steered by an appropriate soft prompt. Guided by the connection between softmax attention and kernel methods, we construct explicit soft prompts (a prompt per target function, independent of the query) as solutions to linear systems matching attention logits to Gaussian kernel exponents, under which the frozen transformer emulates the classical Nadaraya-Watson kernel estimator. The construction requires only a mild rank condition on the weights, which we show holds almost surely under Gaussian initialization. The prompted network inherits the theoretical guarantees of kernel regression, leading to universal approximation theorems with minimax-optimal rates that depend on the intrinsic dimension. We further quantify the cost of prompting, exposing a tradeoff between the norm of the constructed soft prompt tokens, prompt length, and hidden dimension. Numerical experiments corroborate the constructions and predicted rates.

A cylindrical neural approximation theorem for conditional laws of McKean-Vlasov equations with common noise

We introduce conditional cylindrical neural networks for approximating functionals of conditional laws in McKean-Vlasov equations with common noise. Fourier moments of the initial law and truncated signatures of the time augmented common noise are mapped by a mixture density network to a Gaussian mixture approximation of the conditional law. A cylindrical neural network then evaluates the target functional through analytic integrals against this predicted measure. Rough path well posedness and stability provide a conditional law map that is continuous in the initial distribution and the rough driver and agrees almost surely with the classical conditional law at the Itô Brownian lift. Combining this continuity with Fourier separation, signature uniqueness, Wasserstein density of Gaussian mixtures, and neural universal approximation, we prove an $L^2$ universal approximation theorem for continuous square integrable functionals. The numerical study implements the resulting two stage procedure on six examples, including non Gaussian initial laws, nonlinear drift, multiplicative common noise, and a two dimensional state. Independent particle references are used when no closed form law is available. The learned conditional law and functional approximations consistently improve on the empirical particle plug in, and additional experiments examine feature sensitivity, training from one terminal observation per common noise scenario, and Itô--Stratonovich consistency.

From Score Approximation to Distribution Approximation in Score-Based Diffusion Models

Score-based diffusion models have achieved remarkable empirical success in generative modeling, yet their approximation-theoretic foundations remain incomplete. In particular, although classical universal approximation theorems guarantee that neural networks can approximate score functions, it remains unclear whether such approximation guarantees translate into approximation of the probability distributions generated by reverse diffusion processes. In this paper, we establish a rigorous quantitative connection between these two notions. Specifically, we prove that if a neural network approximates the true score function sufficiently accurately, then the probability distribution generated by the corresponding reverse diffusion model is close to the target data distribution in Kullback-Leibler (KL) divergence, up to an irreducible mismatch between the terminal distribution of the forward diffusion process and the prior used to initialize the reverse process. More precisely, we derive an explicit upper bound on the distribution approximation error in terms of the score approximation error, the diffusion noise schedule, and the terminal prior mismatch. Our analysis combines Hornik's universal approximation theorem, Girsanov's theorem on path space, and the data processing inequality for relative entropy. Complementary to recent work that studies score approximation under finite-sample statistical settings and structural assumptions on the data distribution, our work develops an approximation-theoretic analysis based on classical neural network approximation theory. The resulting theorem provides a simple and explicit guarantee linking neural network approximation of score functions to approximation of the probability distributions generated by reverse diffusion models.

Functional Equivalence and Geometric Diversity in Neural Network Approximations: An Empirical Characterization

The Universal Approximation Theorem states that a neural network with a single hidden layer is sufficient to approximate any continuous univariate function on a compact domain to arbitrary error. However, the uniqueness of such neural network representations is not guaranteed, raising questions about practical identifiability. In this work, we address this concern by analyzing functional equivalence and geometric diversity of neural network approximations to a few elementary mathematical functions. The analysis includes an extensive study of single-layer neural networks and multilayer perceptrons under noisy and noise-free conditions. Beyond just network capacity, we study the geometric properties through the lens of sloppiness, characterized by the eigen spectrum of the Hessian of the cost function and the effective rank to quantify the dimensionality of parameter space. The study reveals large equivalence classes of functionally indistinguishable yet geometrically diverse networks that consistently exhibit low effective rank and structural redundancy. Finally, a model select criterion is proposed for identifying optimal models based on parsimony, ease of estimation, and inference efficiency.

Minimum Block Width for Universal Approximation by Residual Neural Networks with Inner Width One

In this paper, we study the universal approximation property of residual neural networks, and obtain some new results. For input and output dimensions $d_x$ and $d_y$, and LeakyReLU, ReLU, ReLU-like activation functions, the upper and lower bounds of the block width are established. To achieve $L^p$ approximation $(1\leq p <+\infty)$ on any compact domain, we show that the exact minimum block width is $\max\{d_x,d_y\}$ when the inner width is 1. Furthermore, we show that residual neural networks with block width $\min\{d_x+d_y, \max\{2d_x+1,d_y\}\}$ can achieve uniform approximation on any compact domain under the constraint that each residual branch has inner width 1. Besides, for any activation function family, we prove that residual neural networks with block width less than $\max\{d_x, d_y\}$ cannot approximate all target functions, both in the $L^p$ sense and the uniform sense, regardless of inner width.

Foundations of Equivariant Deep Learning: Unifying Graph and Sheaf Neural Networks

Symmetry is everywhere in nature and society. Geometric deep learning builds architectures respecting group symmetries, whereas topological deep learning organizes computation through cells, incidence relations, and local-to-global structure. In this paper, we extend geometric deep learning beyond simple group actions and unify it with topological deep learning. Specifically, we develop order-equivariant neural networks (OENN), which generalize standard graph message passing and sheaf neural networks via the theory of equivariant vector bundles over face posets (or face categories). We (i) characterize all linear order-equivariant maps, (ii) build OENN layers, and (iii) prove universal approximation theorems (UATs) for continuous order-equivariant maps, which are new results even when restricted to sheaf neural networks. We illustrate the framework on graph and sheaf models. Our results can also be seen as extending the known UAT for graph neural networks to a more general setting that subsumes sheaf neural networks as well. In the appendix, we show that OENN can be connected, via the action groupoid Grothendieck construction, to CENN (category-equivariant neural network), which gives the categorical general form of equivariant neural networks, allowing us to leverage categorical symmetry in data and extending geometric deep learning from groups of symmetries to categories of transformations.

Algorithmic Foundations of Deep Learning: Complexity-Theoretic Rates and a Characterization of Universal Approximation

Feedforward neural network (NN) expressivity is typically studied by emulating optimal basis-expansion schemes. While powerful, this perspective is incomplete: it primarily captures complexity through regularity, and therefore does not distinguish intuitively simple and complicated objects with comparable regularity, such as the square-root function and a typical Brownian path. The guiding message is that neural networks should be viewed not only as flexible basis functions, but also as models of computation. If a function is computable by a real-valued circuit over a prescribed elementary gate language, then it can be computed to comparable accuracy by an NN with explicit depth, width, and non-zero-parameter bounds controlled by the depth, width, gate count, and gate structure. Thus, neural-network complexity is not governed by regularity alone, but also by algorithmic complexity. We then show that any definable NN model satisfying a natural parallelization condition, allowing possibly multivariate non-linearities such as attention or layer normalization, is a universal approximator if and only if it contains a non-affine nonlinearity. The scope of our theory is illustrated by deducing universal approximation guarantees for continuous functions, minimax-optimal approximation guarantees for Besov classes, logarithmic-error complexity for holomorphic functions, and by showing that NNs can emulate numerical algorithms such as Newton-Raphson root finding and power iteration without architecture-specific arguments. Its precision is illustrated by shortest-path computation on $k$-vertex graphs: compiling the tropical dynamic-programming circuit yields NNs with O(log(1/ε)) non-zero parameters, exponentially improving in 1/ε over the generic $O(ε^{-c k^2})$ Lipschitz-approximation scale, for a constant c>0.

EML Trees Are Universal Approximators

The recently introduced EML (Exp-Minus-Log) function acts as continuous analogue of NAND gates, providing a compositional building block capable of representing elementary functions. In this work, we study the expressive power of tree-structured compositions of EML functions. We show that such trees enjoy a universal approximation property for functions in $W^{k, \infty}$ for $k \in \mathbb N$, drawing on classical neural network approximation arguments while exploiting the ability to explicitly construct EML trees that mimic polynomial representations. We further propose a learning algorithm for EML-type trees equipped with fitting parameters, and demonstrate its feasibility in practical optimization problems. Our results establish EML trees as a theoretically grounded framework for function approximation.

Weighted universal approximation of differentiable maps on infinite-dimensional manifolds

We generalize the universal approximation theorem for functional input neural networks (FNN) to differentiable maps by including the approximation of the derivatives. A FNN maps the input from a possibly infinite-dimensional weighted manifold to the real-valued hidden layer, on which a non-linear scalar activation function is applied, and then returns the output into a Banach space via some linear readouts. By proving a weighted Nachbin theorem, we establish a universal approximation theorem (UAT) for differentiable maps, which goes beyond the usual formulation on compact sets and also includes the approximation of the derivatives. This leads us to approximation results for non-anticipative functionals including the horizontal and vertical derivatives. As a further application, we show that linear functions of the signature are able to approximate path space functionals including their directional derivatives.

Hierarchical RBF-KAN and RBF-SKAN Architectures for Multidimensional Function Approximation and Random Field Learning

In this manuscript, we propose and analyze hierarchical Kolmogorov--Arnold neural network architectures employing radial basis functions as activation functions for approximating deterministic functions and random field models. Specifically, we develop a hierarchical radial-basis-function Kolmogorov--Arnold network (hierarchical RBF-KAN) for multidimensional deterministic function approximation and a hierarchical radial-basis-function stochastic Kolmogorov--Arnold network (hierarchical RBF-SKAN) for random field learning. From a theoretical perspective, we establish universal approximation results for both architectures. In particular, we derive quantitative approximation estimates for the hierarchical RBF-KAN, showing that the proposed framework has the potential to partially alleviate the curse of dimensionality in learning high-dimensional functions by reducing the effective dimensionality of the approximation problem. Furthermore, we show that the hierarchical RBF-SKAN can approximate random field models under the Wasserstein-2 metric. Empirically, we show that our proposed radial-basis-function-based neural network structure could effectively learn multivariate functions and random field models.

Neural Flow Operators can Approximate any Operator: Abstract Frameworks and Universal Approcimations

We introduce an abstract neural flow framework for neural networks and neural operators. The framework contains two continuous-depth models, namely neural flows with composition and separation structures, and covers both finite-dimensional function approximation and infinite-dimensional operator approximation. We prove well-posedness and universal approximation properties for the corresponding neural flows, including, to the best of our knowledge, the first universal approximation result for flow-based models between infinite-dimensional spaces. We also obtain universal approximation results for convolutional neural flow models. Through suitable time discretizations, the composition structure recovers ResNet-type architectures, while the separation structure, via a splitting-based discretization, yields plain architectures. This gives a unified flow-based route to both residual and plain architectures for neural networks and neural operators with fully connected or convolutional linear layers.

Approximation Theory for Neural Networks: Old and New

Universal approximation theorems provide a mathematical explanation for the expressive power of neural networks. They assert that, under mild conditions on the activation function, feedforward neural networks are dense in broad function classes, such as continuous functions on compact subsets of $\mathbb{R}^d$, $L^p$ spaces, or Sobolev spaces. Over the past four decades, these qualitative universality results have evolved into a rich quantitative theory addressing approximation rates, parameter efficiency, and the role of architectural features such as depth and width. This survey presents several glimpses into this theory. We review classical density results for single-hidden-layer networks, as well as quantitative bounds that relate approximation error to network size and smoothness assumptions on target functions. Particular emphasis is placed on depth--width trade-offs and on results demonstrating that deeper architectures can achieve superior parameter efficiency for structured function classes. In addition to standard feedforward neural networks, we also review recent developments on Kolmogorov--Arnold Networks (KANs), which offer an alternative architectural paradigm and whose approximation-theoretic properties have begun to attract significant theoretical attention.