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When performing predictions that use Machine Learning (ML), we are mainly interested in performance and interpretability. This generates a natural trade-off, where complex models generally have higher skills but are harder to explain and…

Machine Learning · Computer Science 2025-03-31 Alessandro Lovo , Amaury Lancelin , Corentin Herbert , Freddy Bouchet

Discovering causal relationships in time series data is central in many scientific areas, ranging from economics to climate science. Granger causality is a powerful tool for causality detection. However, its original formulation is limited…

Machine Learning · Computer Science 2024-12-23 Hongyu Lin , Mohan Ren , Paolo Barucca , Tomaso Aste

Modeling wireless channels accurately remains a challenge due to environmental variations and signal uncertainties. Recent neural networks can learn radio frequency~(RF) signal propagation patterns, but they process each voxel on the ray…

Networking and Internet Architecture · Computer Science 2026-01-28 Jingzhou Shen , Xuyu Wang

While most modern machine learning methods offer speed and accuracy, few promise interpretability or explainability -- two key features necessary for highly sensitive industries, like medicine, finance, and engineering. Using eight datasets…

Machine Learning · Computer Science 2025-04-08 Nataly R. Panczyk , Omer F. Erdem , Majdi I. Radaideh

Accurate prediction of shaft rotational speed, shaft power, and fuel consumption is crucial for enhancing operational efficiency and sustainability in maritime transportation. Conventional physics-based models provide interpretability but…

Machine Learning · Computer Science 2026-02-26 Hamza Haruna Mohammed , Dusica Marijan , Arnbjørn Maressa

Deep learning methods have been widely used as an end-to-end modeling strategy of electrical energy systems because of their conveniency and powerful pattern recognition capability. However, due to the "closed-box" nature, deep learning…

Signal Processing · Electrical Eng. & Systems 2026-05-12 Zhenghao Zhou , Yiyan Li , Zelin Guo , Zheng Yan , Mo-Yuen Chow

Calibrating the confidence of neural network classifiers is essential for quantifying the reliability of their predictions during inference. However, conventional Gaussian Process (GP) calibration methods often fail to capture the internal…

Machine Learning · Computer Science 2025-07-23 Kyung-hwan Lee , Kyung-tae Kim

The application of machine learning methodologies for predicting properties within materials science has garnered significant attention. Among recent advancements, Kolmogorov-Arnold Networks (KANs) have emerged as a promising alternative to…

Computational Physics · Physics 2024-09-06 Rui Wang , Hongyu Yu , Yang Zhong , Hongjun Xiang

Accurately predicting chemical reactions is essential for driving innovation in synthetic chemistry, with broad applications in medicine, manufacturing, and agriculture. At the same time, reaction prediction is a complex problem which can…

Machine Learning · Computer Science 2025-04-23 Ryan J. Miller , Alexander E. Dashuta , Brayden Rudisill , David Van Vranken , Pierre Baldi

The discovery of high-performance thermoelectric materials requires models that are both accurate and interpretable. Traditional machine learning approaches, while effective at property prediction, often act as black boxes and provide…

Materials Science · Physics 2025-12-15 Marco Fronzi , Michael J. Ford , Kamal Singh Nayal , Olexandr Isayev , Catherine Stampfl

Interpreting complex datasets remains a major challenge for scientists, particularly due to high dimensionality and collinearity among variables. We introduce a novel application of Kolmogorov-Arnold Networks (KANs) to enhance…

Machine Learning · Computer Science 2025-12-19 Luis A. De la Fuente , Hernan A. Moreno , Laura V. Alvarez , Hoshin V. Gupta

Explainable AI (XAI) underwent a recent surge in research on concept extraction, focusing on extracting human-interpretable concepts from Deep Neural Networks. An important challenge facing concept extraction approaches is the difficulty of…

Machine Learning · Computer Science 2023-02-13 Dmitry Kazhdan , Botty Dimanov , Lucie Charlotte Magister , Pietro Barbiero , Mateja Jamnik , Pietro Lio

Numerical Weather Prediction (NWP) models that integrate coupled physical equations forward in time are the traditional tools for simulating atmospheric processes and forecasting weather. With recent advancements in deep learning, AI-based…

Computational Physics · Physics 2025-12-22 Milton Gomez , Louis Poulain--Auzeau , Alexis Berne , Tom Beucler

We introduce KAN-GCN, a fast and accurate emulator for ice sheet modeling that places a Kolmogorov-Arnold Network (KAN) as a feature-wise calibrator before graph convolution networks (GCNs). The KAN front end applies learnable…

Machine Learning · Computer Science 2025-10-30 Zesheng Liu , YoungHyun Koo , Maryam Rahnemoonfar

Symbolic neural networks, such as Kolmogorov-Arnold Networks (KAN), offer a promising approach for integrating prior knowledge with data-driven methods, making them valuable for addressing inverse problems in scientific and engineering…

Machine Learning · Computer Science 2024-11-05 Xia Chen , Guoquan Lv , Xinwei Zhuang , Carlos Duarte , Stefano Schiavon , Philipp Geyer

The accurate prediction of physicochemical properties of chemical compounds in mixtures (such as the activity coefficient at infinite dilution $\gamma_{ij}^\infty$) is essential for developing novel and more sustainable chemical processes.…

Chemical Physics · Physics 2023-05-04 Edgar Ivan Sanchez Medina , Steffen Linke , Martin Stoll , Kai Sundmacher

Advanced machine learning models have recently achieved high predictive accuracy for weather and climate prediction. However, these complex models often lack inherent transparency and interpretability, acting as "black boxes" that impede…

Atmospheric and Oceanic Physics · Physics 2024-03-29 Ruyi Yang , Jingyu Hu , Zihao Li , Jianli Mu , Tingzhao Yu , Jiangjiang Xia , Xuhong Li , Aritra Dasgupta , Haoyi Xiong

The recent development of Kolmogorov-Arnold Networks (KANs) has found its application in the field of Graph Neural Networks (GNNs) particularly in molecular data modeling and potential drug discovery. Kolmogorov-Arnold Graph Neural Networks…

Machine Learning · Computer Science 2026-01-27 Nikita Volzhin , Soowhan Yoon

Forecasting the weather is an increasingly data intensive exercise. Numerical Weather Prediction (NWP) models are becoming more complex, with higher resolutions, and there are increasing numbers of different models in operation. While the…

Applications · Statistics 2021-03-17 Charlie Kirkwood , Theo Economou , Henry Odbert , Nicolas Pugeault

A wide range of deep learning-based machine learning techniques are extensively applied to the design of high-entropy alloys (HEAs), yielding numerous valuable insights. Kolmogorov-Arnold Networks (KAN) is a recently developed architecture…

Materials Science · Physics 2025-03-04 Yagnik Bandyopadhyay , Harshil Avlani , Houlong L. Zhuang