相关论文: Kolmogorov--Arnold networks in molecular dynamics

Massive number of applications involve data with underlying relationships embedded in non-Euclidean space. Graph neural networks (GNNs) are utilized to extract features by capturing the dependencies within graphs. Despite groundbreaking…

We propose a simple, but efficient and accurate machine learning (ML) model for developing high-dimensional potential energy surface. This so-called embedded atom neural network (EANN) approach is inspired by the well-known empirical…

While accurate, black-box system identification models lack interpretability of the underlying system dynamics. This paper proposes State-Space Kolmogorov-Arnold Networks (SS-KAN) to address this challenge by integrating Kolmogorov-Arnold…

A major challenge of AI + Science lies in their inherent incompatibility: today's AI is primarily based on connectionism, while science depends on symbolism. To bridge the two worlds, we propose a framework to seamlessly synergize…

Kolmogorov-Arnold Networks (KANs) have recently emerged as a flexible and parameter-efficient alternative to conventional neural networks. Unlike standard architectures that use fixed node-based activations, KANs place learnable functions…

We present a novel approach for verifying properties of Kolmogorov-Arnold Networks (KANs), a class of neural networks characterized by nonlinear, univariate activation functions typically implemented as piecewise polynomial splines or…

We introduce Graph Kolmogorov-Arnold Networks (GKAN), an innovative neural network architecture that extends the principles of the recently proposed Kolmogorov-Arnold Networks (KAN) to graph-structured data. By adopting the unique…

Uncertainty quantification (UQ) plays a pivotal role in scientific machine learning, especially when surrogate models are used to approximate complex systems. Although multilayer perceptions (MLPs) are commonly employed as surrogates, they…

Inspired by the Kolmogorov-Arnold representation theorem, KANs offer a novel framework for function approximation by replacing traditional neural network weights with learnable univariate functions. This design demonstrates significant…

Kolmogorov-Arnold Networks (KANs) have gained attention for their potential to outperform Multi-Layer Perceptrons (MLPs) in terms of parameter efficiency and interpretability. Unlike traditional MLPs, KANs use learnable non-linear…

Effective molecular representation learning is crucial for advancing molecular property prediction and drug design. Mainstream molecular representation learning approaches are based on Graph Neural Networks (GNNs). However, these approaches…

The memory wall problem arises due to the disparity between fast processors and slower memory, causing significant delays in data access, even more so on edge devices. Data prefetching is a key strategy to address this, with traditional…

The prediction of quantum dynamical responses lies at the heart of modern physics. Yet, modeling these time-dependent behaviors remains a formidable challenge because quantum systems evolve in high-dimensional Hilbert spaces, often…

We propose a novel approach that enhances multivariate function approximation using learnable path signatures and Kolmogorov-Arnold networks (KANs). We enhance the learning capabilities of these networks by weighting the values obtained by…

Inspired by our previous work on mitigating the Kolmogorov barrier using a quadratic approximation manifold, we propose in this paper a computationally tractable approach for combining a projection-based reduced-order model (PROM) and an…

For years, many neural networks have been developed based on the Kolmogorov-Arnold Representation Theorem (KART), which was created to address Hilbert's 13th problem. Recently, relying on KART, Kolmogorov-Arnold Networks (KANs) have…

Personalized cancer treatment is revolutionizing oncology by leveraging precision medicine and advanced computational techniques to tailor therapies to individual patients. Despite its transformative potential, challenges such as limited…

Hyperspectral image classification is a crucial but challenging task due to the high dimensionality and complex spatial-spectral correlations inherent in hyperspectral data. This paper employs Wavelet-based Kolmogorov-Arnold Network…

We introduce the Kolmogorov-Arnold Network for Dynamics (KANDy) as a zero-depth, wide neural architecture capable of discovering governing equations in chaotic and complex dynamical systems. Building on the foundation of Kolmogorov-Arnold…

In this paper, we introduce Wav-KAN, an innovative neural network architecture that leverages the Wavelet Kolmogorov-Arnold Networks (Wav-KAN) framework to enhance interpretability and performance. Traditional multilayer perceptrons (MLPs)…