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The proposed framework named IDEAL (Interpretable-by-design DEep learning ALgorithms) recasts the standard supervised classification problem into a function of similarity to a set of prototypes derived from the training data, while taking…

Machine Learning · Computer Science 2023-11-21 Plamen Angelov , Dmitry Kangin , Ziyang Zhang

Graphs are ubiquitous due to their flexibility in representing social and technological systems as networks of interacting elements. Graph representation learning methods, such as node embeddings, are powerful approaches to map nodes into a…

Machine Learning · Computer Science 2023-10-03 Simone Piaggesi , Megha Khosla , André Panisson , Avishek Anand

Operator learning has emerged as a promising paradigm for developing efficient surrogate models to solve partial differential equations (PDEs). However, existing approaches often overlook the domain knowledge inherent in the underlying PDEs…

Machine Learning · Computer Science 2025-10-20 Ziqian Li , Kang Liu , Yongcun Song , Hangrui Yue , Enrique Zuazua

Learning dynamics governed by differential equations is crucial for predicting and controlling the systems in science and engineering. Neural Ordinary Differential Equation (NODE), a deep learning model integrated with differential…

Machine Learning · Computer Science 2021-11-09 Shiqi Gong , Qi Meng , Yue Wang , Lijun Wu , Wei Chen , Zhi-Ming Ma , Tie-Yan Liu

The extraction of geoelectric structural information from airborne transient electromagnetic(ATEM)data primarily involves data processing and inversion. Conventional methods rely on empirical parameter selection, making it difficult to…

Machine Learning · Computer Science 2025-03-31 Shuang Wang , Xuben Wang , Fei Deng , Xiaodong Yu , Peifan Jiang , Lifeng Mao

The combination of numerical integration and deep learning, i.e., ODE-net, has been successfully employed in a variety of applications. In this work, we introduce inverse modified differential equations (IMDE) to contribute to the behaviour…

Numerical Analysis · Mathematics 2021-08-16 Aiqing Zhu , Pengzhan Jin , Beibei Zhu , Yifa Tang

In this article, we develop a reduced basis method for efficiently solving the coupled Stokes/Darcy equations with parametric internal geometry. To accommodate possible changes in topology, we define the Stokes and Darcy domains implicitly…

Numerical Analysis · Mathematics 2021-11-10 Stein K. F. Stoter , Etienne Jessen , Viktor Niedens , Dominik Schillinger

Clinical oriented applications of computational electrocardiology require efficient and reliable identification of patient-specific parameters of mathematical models based on available measures. In particular, the estimation of cardiac…

Numerical Analysis · Mathematics 2016-11-01 Huanhuan Yang , Alessandro Veneziani

Deployment of machine learning models in real high-risk settings (e.g. healthcare) often depends not only on the model's accuracy but also on its fairness, robustness, and interpretability. Generalized Additive Models (GAMs) are a class of…

Machine Learning · Computer Science 2022-03-17 Chun-Hao Chang , Rich Caruana , Anna Goldenberg

Machine learning for scientific applications faces the challenge of limited data. We propose a framework that leverages a priori known physics to reduce overfitting when training on relatively small datasets. A deep neural network is…

Machine Learning · Computer Science 2019-11-22 Jonathan B. Freund , Jonathan F. MacArt , Justin Sirignano

Modeling sequential patterns from data is at the core of various time series forecasting tasks. Deep learning models have greatly outperformed many traditional models, but these black-box models generally lack explainability in prediction…

Machine Learning · Computer Science 2023-05-23 Yingtao Luo , Chang Xu , Yang Liu , Weiqing Liu , Shun Zheng , Jiang Bian

We introduce the Optimizing a Discrete Loss (ODIL) framework for the numerical solution of Partial Differential Equations (PDE) using machine learning tools. The framework formulates numerical methods as a minimization of discrete residuals…

Numerical Analysis · Mathematics 2024-01-23 Petr Karnakov , Sergey Litvinov , Petros Koumoutsakos

Deformable image registration (DIR) is crucial in medical image analysis, enabling the exploration of biological dynamics such as organ motions and longitudinal changes in imaging. Leveraging Neural Ordinary Differential Equations (ODE) for…

Computer Vision and Pattern Recognition · Computer Science 2024-04-03 Yifan Wu , Mengjin Dong , Rohit Jena , Chen Qin , James C. Gee

Although neural networks have seen tremendous success as predictive models in a variety of domains, they can be overly confident in their predictions on out-of-distribution (OOD) data. To be viable for safety-critical applications, like…

Robotics · Computer Science 2022-11-17 Masha Itkina , Mykel J. Kochenderfer

Deformable image registration (DIR), aiming to find spatial correspondence between images, is one of the most critical problems in the domain of medical image analysis. In this paper, we present a novel, generic, and accurate diffeomorphic…

Computer Vision and Pattern Recognition · Computer Science 2023-02-08 Yifan Wu , Tom Z. Jiahao , Jiancong Wang , Paul A. Yushkevich , M. Ani Hsieh , James C. Gee

Recently, Hopfield and Krotov introduced the concept of {\em dense associative memories} [DAM] (close to spin-glasses with $P$-wise interactions in a disordered statistical mechanical jargon): they proved a number of remarkable features…

Disordered Systems and Neural Networks · Physics 2020-02-19 Francesco Alemanno , Martino Centonze , Alberto Fachechi

The data-driven discovery of interpretable models approximating the underlying dynamics of a physical system has gained attraction in the past decade. Current approaches employ pre-specified functional forms or basis functions and often…

Machine Learning · Computer Science 2025-07-30 Rahul Golder , M. M. Faruque Hasan

Discrete choice models are essential for modelling various decision-making processes in human behaviour. However, the specification of these models has depended heavily on domain knowledge from experts, and the fully automated but…

Machine Learning · Computer Science 2025-07-16 Fumiyasu Makinoshima , Tatsuya Mitomi , Fumiya Makihara , Eigo Segawa

In this paper, we address the issue of modeling and estimating changes in the state of the spatio-temporal dynamical systems based on a sequence of observations like video frames. Traditional numerical simulation systems depend largely on…

Machine Learning · Computer Science 2024-02-12 Kun Wang , Hao Wu , Guibin Zhang , Junfeng Fang , Yuxuan Liang , Yuankai Wu , Roger Zimmermann , Yang Wang

Neural ordinary differential equations (NODEs) are an effective approach for data-driven modeling of dynamical systems arising from simulations and experiments. One of the major shortcomings of NODEs, especially when coupled with explicit…

Numerical Analysis · Mathematics 2025-12-30 Allen Alvarez Loya , Daniel A. Serino , J. W. Burby , Qi Tang