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 approximation capability


From Kolmogorov to Cauchy: Shallow XNet Surpasses KANs

Neural Information Processing Systems

We study a shallow variant of XNet, a neural architecture whose activation functions are derived from the Cauchy integral formula. While prior work focused on deep variants, we show that even a single-layer XNet exhibits near-exponential approximation rates--exceeding the polynomial bounds of MLPs and spline-based networks such as Kolmogorov-Arnold Networks (KANs). Empirically, XNet reduces approximation error by over 600 on discontinuous functions, achieves up to 20,000 lower residuals in physics-informed PDEs, and improves policy accuracy and sample efficiency in PPO-based reinforcement learning--while maintaining comparable or better computational efficiency than KAN baselines. These results demonstrate that expressive approximation can stem from principled activation design rather than depth alone, offering a compact, theoretically grounded alternative for function approximation, scientific computing, and control.


Non-Euclidean Universal Approximation

Neural Information Processing Systems

Modifications to a neural network's input and output layers are often required to accommodate the specificities of most practical learning tasks. However, the impact of such changes on architecture's approximation capabilities is largely not understood. We present general conditions describing feature and readout maps that preserve an architecture's ability to approximate any continuous functions uniformly on compacts. As an application, we show that if an architecture is capable of universal approximation, then modifying its final layer to produce binary values creates a new architecture capable of deterministically approximating any classifier. In particular, we obtain guarantees for deep CNNs, deep ffNN, and universal Gaussian processes. Our results also have consequences within the scope of geometric deep learning.


Iterative Training of Physics-Informed Neural Networks with Fourier-enhanced Features

arXiv.org Artificial Intelligence

Spectral bias, the tendency of neural networks to learn low-frequency features first, is a well-known issue with many training algorithms for physics-informed neural networks (PINNs). To overcome this issue, we propose IFeF-PINN, an algorithm for iterative training of PINNs with Fourier-enhanced features. The key idea is to enrich the latent space using high-frequency components through Random Fourier Features. This creates a two-stage training problem: (i) estimate a basis in the feature space, and (ii) perform regression to determine the coefficients of the enhanced basis functions. For an underlying linear model, it is shown that the latter problem is convex, and we prove that the iterative training scheme converges. Furthermore, we empirically establish that Random Fourier Features enhance the expressive capacity of the network, enabling accurate approximation of high-frequency PDEs. Through extensive numerical evaluation on classical benchmark problems, the superior performance of our method over state-of-the-art algorithms is shown, and the improved approximation across the frequency domain is illustrated.



Weisfeiler-Lehman meets Events: An Expressivity Analysis for Continuous-Time Dynamic Graph Neural Networks

arXiv.org Artificial Intelligence

Graph Neural Networks (GNNs) are known to match the distinguishing power of the 1-Weisfeiler-Lehman (1-WL) test, and the resulting partitions coincide with the unfolding tree equivalence classes of graphs. Preserving this equivalence, GNNs can universally approximate any target function on graphs in probability up to any precision. However, these results are limited to attributed discrete-dynamic graphs represented as sequences of connected graph snapshots. Real-world systems, such as communication networks, financial transaction networks, and molecular interactions, evolve asynchronously and may split into disconnected components. In this paper, we extend the theory of attributed discrete-dynamic graphs to attributed continuous-time dynamic graphs with arbitrary connectivity. To this end, we introduce a continuous-time dynamic 1-WL test, prove its equivalence to continuous-time dynamic unfolding trees, and identify a class of continuous-time dynamic GNNs (CGNNs) based on discrete-dynamic GNN architectures that retain both distinguishing power and universal approximation guarantees. Our constructive proofs further yield practical design guidelines, emphasizing a compact and expressive CGNN architecture with piece-wise continuously differentiable temporal functions to process asynchronous, disconnected graphs.


Revisiting Feature Interactions from the Perspective of Quadratic Neural Networks for Click-through Rate Prediction

arXiv.org Artificial Intelligence

Hadamard Product (HP) has long been a cornerstone in click-through rate (CTR) prediction tasks due to its simplicity, effectiveness, and ability to capture feature interactions without additional parameters. However, the underlying reasons for its effectiveness remain unclear. In this paper, we revisit HP from the perspective of Quadratic Neural Networks (QNN), which leverage quadratic interaction terms to model complex feature relationships. We further reveal QNN's ability to expand the feature space and provide smooth nonlinear approximations without relying on activation functions. Meanwhile, we find that traditional post-activation does not further improve the performance of the QNN. Instead, mid-activation is a more suitable alternative. Through theoretical analysis and empirical evaluation of 25 QNN neuron formats, we identify a good-performing variant and make further enhancements on it. Specifically, we propose the Multi-Head Khatri-Rao Product as a superior alternative to HP and a Self-Ensemble Loss with dynamic ensemble capability within the same network to enhance computational efficiency and performance. Ultimately, we propose a novel neuron format, QNN-alpha, which is tailored for CTR prediction tasks. Experimental results show that QNN-alpha achieves new state-of-the-art performance on six public datasets while maintaining low inference latency, good scalability, and excellent compatibility. The code, running logs, and detailed hyperparameter configurations are available at: https://github.com/salmon1802/QNN.


KA-GNN: Kolmogorov-Arnold Graph Neural Networks for Molecular Property Prediction

arXiv.org Artificial Intelligence

As key models in geometric deep learning, graph neural networks have demonstrated enormous power in molecular data analysis. Recently, a specially-designed learning scheme, known as Kolmogorov-Arnold Network (KAN), shows unique potential for the improvement of model accuracy, efficiency, and explainability. Here we propose the first non-trivial Kolmogorov-Arnold Network-based Graph Neural Networks (KA-GNNs), including KAN-based graph convolutional networks(KA-GCN) and KAN-based graph attention network (KA-GAT). The essential idea is to utilizes KAN's unique power to optimize GNN architectures at three major levels, including node embedding, message passing, and readout. Further, with the strong approximation capability of Fourier series, we develop Fourier series-based KAN model and provide a rigorous mathematical prove of the robust approximation capability of this Fourier KAN architecture. To validate our KA-GNNs, we consider seven most-widely-used benchmark datasets for molecular property prediction and extensively compare with existing state-of-the-art models. It has been found that our KA-GNNs can outperform traditional GNN models. More importantly, our Fourier KAN module can not only increase the model accuracy but also reduce the computational time. This work not only highlights the great power of KA-GNNs in molecular property prediction but also provides a novel geometric deep learning framework for the general non-Euclidean data analysis.


Non-Euclidean Universal Approximation

Neural Information Processing Systems

Modifications to a neural network's input and output layers are often required to accommodate the specificities of most practical learning tasks. However, the impact of such changes on architecture's approximation capabilities is largely not understood. We present general conditions describing feature and readout maps that preserve an architecture's ability to approximate any continuous functions uniformly on compacts. As an application, we show that if an architecture is capable of universal approximation, then modifying its final layer to produce binary values creates a new architecture capable of deterministically approximating any classifier. In particular, we obtain guarantees for deep CNNs, deep ffNN, and universal Gaussian processes. Our results also have consequences within the scope of geometric deep learning.


Numerical Approximation Capacity of Neural Networks with Bounded Parameters: Do Limits Exist, and How Can They Be Measured?

arXiv.org Artificial Intelligence

The Universal Approximation Theorem posits that neural networks can theoretically possess unlimited approximation capacity with a suitable activation function and a freely chosen or trained set of parameters. However, a more practical scenario arises when these neural parameters, especially the nonlinear weights and biases, are bounded. This leads us to question: \textbf{Does the approximation capacity of a neural network remain universal, or does it have a limit when the parameters are practically bounded? And if it has a limit, how can it be measured?} Our theoretical study indicates that while universal approximation is theoretically feasible, in practical numerical scenarios, Deep Neural Networks (DNNs) with any analytic activation functions (such as Tanh and Sigmoid) can only be approximated by a finite-dimensional vector space under a bounded nonlinear parameter space (NP space), whether in a continuous or discrete sense. Based on this study, we introduce the concepts of \textit{$\epsilon$ outer measure} and \textit{Numerical Span Dimension (NSdim)} to quantify the approximation capacity limit of a family of networks both theoretically and practically. Furthermore, drawing on our new theoretical study and adopting a fresh perspective, we strive to understand the relationship between back-propagation neural networks and random parameter networks (such as the Extreme Learning Machine (ELM)) with both finite and infinite width. We also aim to provide fresh insights into regularization, the trade-off between width and depth, parameter space, width redundancy, condensation, and other related important issues.


A Survey on Universal Approximation Theorems

arXiv.org Artificial Intelligence

A neural network (NN) or artificial neural network (ANN) is a network of artificial neurons arranged in layers [1, 2]. The artificial neurons (also called perceptrons) are inspired by biological neurons in biological neural networks (BNNs)[3]. Biological neurons are the signal-processing units of BNN in the brain, similarly, artificial neurons are data-processing units in ANN. The rest of the paper discusses only ANN and artificial neurons which will be referred to simply by NN and neuron. From a mathematical point of view, neurons are made of compositions of a nonlinear function (also called activation function) and a linear function [4].