Predicting drug-drug interactions (DDIs) is essential for safe pharmacological treatments. Previous graph neural network (GNN) models leverage molecular structures and interaction networks but mostly rely on linear aggregation and symmetric assumptions, limiting their ability to capture nonlinear and heterogeneous patterns. We propose MGKAN, a Graph Kolmogorov-Arnold Network that introduces learnable basis functions into asymmetric DDI prediction. MGKAN replaces conventional MLP transformations with KAN-driven basis functions, enabling more expressive and nonlinear modeling of drug relationships. To capture pharmacological dependencies, MGKAN integrates three network views-an asymmetric DDI network, a co-interaction network, and a biochemical similarity network-with role-specific embeddings to preserve directional semantics. A fusion module combines linear attention and nonlinear transformation to enhance representational capacity. On two benchmark datasets, MGKAN outperforms seven state-of-the-art baselines. Ablation studies and case studies confirm its predictive accuracy and effectiveness in modeling directional drug effects.
Department of Computer, Control and Management Engineering, Sapienza University of Rome（西帕辛扎大学罗马分校计算机、控制与管理工程系）；Department of Life Science Informatics and Data Science, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Bonn, Germany（波恩德国莱茵-威斯巴登大学生命科学信息技术与数据科学系）；Lamarr Institute for Machine Learning and Artificial Intelligence, Bonn, Germany（波恩德国拉马尔机器学习与人工智能研究所）
University of Twente（特文特大学）；Leiden University（莱顿大学）
There is a longstanding debate whether the Kolmogorov-Arnold representation theorem can explain the use of more than one hidden layer in neural networks. The Kolmogorov-Arnold representation decomposes a multivariate function into an interior and an outer function and therefore has indeed a similar structure as a neural network with two hidden layers. But there are distinctive differences. One of the main obstacles is that the outer function depends on the represented function and can be wildly varying even if the represented function is smooth. We derive modifications of the Kolmogorov-Arnold…
Columbia University（哥伦比亚大学）；National University of Singapore（新加坡国立大学）
We prove a theorem concerning the approximation of multivariate functions by deep ReLU networks, for which the curse of the dimensionality is lessened. Our theorem is based on a constructive proof of the Kolmogorov--Arnold superposition theorem, and on a subset of multivariate continuous functions whose outer superposition functions can be efficiently approximated by deep ReLU networks.
Kolmogorov Arnold Informed neural network: A physics-informed deep learning framework for solving forward and inverse problems based on Kolmogorov Arnold Networks
Tsinghua University（清华大学）；Bauhaus-Universität Weimar（魏玛包豪斯大学）；CNPC Engineering Technology RD Company Limited（中国石油集团工程技术研究院有限公司）；Queensland University of Technology（昆士兰科技大学）；Leibniz University Hannover（汉诺威莱布尼茨大学）
Kolmogorov-Arnold networks for metal surface defect classification
AGH University of Krakow（克拉科夫AGH大学）；Systems Research Institute, Polish Academy of Sciences（波兰科学院系统研究所）；University of Technology Sydney（悉尼科技大学）；Óbuda University（欧布达大学）；NASK National Research Institute（NASK国家研究院）
Institute of Fundamental and Frontier Sciences, University of Electronic Science and Technology of China（电子科技大学基础与前沿科学研究所）；Potsdam Institute for Climate Impact Research（波茨坦气候影响研究所）；Department of Physics, Humboldt University Berlin（柏林洪堡大学物理系）；Research Institute of Intelligent Complex Systems, Fudan University（复旦大学智能复杂系统研究所）；School of Physics, University of Electronic Science and Technology of China（电子科技大学物理学院）；Key Laboratory of Quantum Physics and Photonic Quantum Information, Ministry of Education, University of Electronic Science and Technology of China（电子科技大学教育部量子物理与光子量子信息重点实验室）；Non-classical Information Science Basic Discipline Research Center of Sichuan Province, University of Electronic Science and Technology of China（电子科技大学四川省非经典信息科学基础学科研究中心）
Finite basis Kolmogorov-Arnold networks: domain decomposition for data-driven and physics-informed problems
Pacific Northwest National Laboratory（太平洋西北国家实验室）；University of North Carolina, Charlotte（北卡罗来纳大学夏洛特分校）；Delft University of Technology（代尔夫特理工大学）；University of Washington, Applied Mathematics（华盛顿大学应用数学系）；Brown University, Applied Mathematics（布朗大学应用数学系）
State-Space Kolmogorov Arnold Networks for Interpretable Nonlinear System Identification
Faculty of Engineering Technology, Vrije Universiteit Brussel（自由大学布鲁塞尔工程科技学院）；Department of Artificial Intelligence and Systems Engineering, Budapest University of Technology and Economics（布达佩斯技术与经济大学人工智能与系统工程系）
HKAN: Hierarchical Kolmogorov-Arnold Network without Backpropagation
the Faculty of Electrical Engineering, Czestochowa University of Technology（捷斯托霍瓦技术大学电子工程系）；the Faculty of Mathematics and Computer Science, University of Lodz（罗兹大学数学与计算机科学系）；the Centre for Data Analysis, Modelling and Computational Sciences (CAMINO), University of Lodz（罗兹大学数据分析、建模与计算科学中心）
Can KAN CANs? Input-convex Kolmogorov-Arnold Networks (KANs) as hyperelastic constitutive artificial neural networks (CANs)
Department of Materials Science and Engineering, Delft University of Technology（材料科学与工程系，代尔夫特理工大学）；Department of Biomechanical Engineering, Delft University of Technology（生物机械工程系，代尔夫特理工大学）
