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Recent years have witnessed a growth in mathematics for deep learning--which seeks a deeper understanding of the concepts of deep learning with mathematics and explores how to make it more robust--and deep learning for mathematics, where…

Machine Learning · Computer Science 2023-10-31 Derick Nganyu Tanyu , Jianfeng Ning , Tom Freudenberg , Nick Heilenkötter , Andreas Rademacher , Uwe Iben , Peter Maass

Neural ordinary differential equations (ODEs) have been attracting increasing attention in various research domains recently. There have been some works studying optimization issues and approximation capabilities of neural ODEs, but their…

Machine Learning · Computer Science 2022-03-04 Hanshu Yan , Jiawei Du , Vincent Y. F. Tan , Jiashi Feng

Neural operators have emerged as promising surrogate models for solving partial differential equations (PDEs), but struggle to generalise beyond training distributions and are often constrained to a fixed temporal discretisation. This work…

Model reduction for fluid flow simulation continues to be of great interest across a number of scientific and engineering fields. Here, we explore the use of Neural Ordinary Differential Equations, a recently introduced family of…

Machine Learning · Computer Science 2021-04-30 Sourav Dutta , Peter Rivera-Casillas , Matthew W. Farthing

Deep Learning has emerged as one of the most significant innovations in machine learning. However, a notable limitation of this field lies in the ``black box" decision-making processes, which have led to skepticism within groups like…

Machine Learning · Computer Science 2025-03-06 Shi Li

Augmenting mechanistic ordinary differential equation (ODE) models with machine-learnable structures is an novel approach to create highly accurate, low-dimensional models of engineering systems incorporating both expert knowledge and…

Dynamical Systems · Mathematics 2022-06-22 Sandor Beregi , David A. W. Barton , Djamel Rezgui , Simon A. Neild

Optimal control problems naturally arise in many scientific applications where one wishes to steer a dynamical system from a certain initial state $\mathbf{x}_0$ to a desired target state $\mathbf{x}^*$ in finite time $T$. Recent advances…

Machine Learning · Computer Science 2022-09-20 Lucas Böttcher , Thomas Asikis

Deep learning has an increasing impact to assist research, allowing, for example, the discovery of novel materials. Until now, however, these artificial intelligence techniques have fallen short of discovering the full differential equation…

Equations, particularly differential equations, are fundamental for understanding natural phenomena and predicting complex dynamics across various scientific and engineering disciplines. However, the governing equations for many complex…

Machine Learning · Computer Science 2025-04-15 Junfeng Chen , Kailiang Wu , Dongbin Xiu

Uncertainty-aware deep learning (DL) models recently gained attention in fault diagnosis as a way to promote the reliable detection of faults when out-of-distribution (OOD) data arise from unseen faults (epistemic uncertainty) or the…

Machine Learning · Computer Science 2024-12-30 Reza Jalayer , Masoud Jalayer , Andrea Mor , Carlotta Orsenigo , Carlo Vercellis

Neural Ordinary Differential Equations (ODEs) are elegant reinterpretations of deep networks where continuous time can replace the discrete notion of depth, ODE solvers perform forward propagation, and the adjoint method enables efficient,…

In the last decade, the scientific community has devolved its attention to the deployment of data-driven approaches in scientific research to provide accurate and reliable analysis of a plethora of phenomena. Most notably, Physics-informed…

Machine Learning · Computer Science 2023-06-21 Mattia Silvestri , Federico Baldo , Eleonora Misino , Michele Lombardi

The neural ordinary differential equation (ODE) framework has emerged as a powerful tool for developing accelerated surrogate models of complex physical systems governed by partial differential equations (PDEs). A popular approach for PDE…

Fluid Dynamics · Physics 2025-03-26 Ashish S. Nair , Shivam Barwey , Pinaki Pal , Jonathan F. MacArt , Troy Arcomano , Romit Maulik

Scientific Machine Learning is a new class of approaches that integrate physical knowledge and mechanistic models with data-driven techniques for uncovering governing equations of complex processes. Among the available approaches, Universal…

Machine Learning · Statistics 2024-06-14 Nina Schmid , David Fernandes del Pozo , Willem Waegeman , Jan Hasenauer

Laplace approximations are classic, computationally lightweight means for constructing Bayesian neural networks (BNNs). As in other approximate BNNs, one cannot necessarily expect the induced predictive uncertainty to be calibrated. Here we…

Machine Learning · Computer Science 2021-06-08 Agustinus Kristiadi , Matthias Hein , Philipp Hennig

Data-driven modelling and scientific machine learning have been responsible for significant advances in determining suitable models to describe data. Within dynamical systems, neural ordinary differential equations (ODEs), where the system…

Machine Learning · Computer Science 2024-05-08 Gevik Grigorian , Sandip V. George , Simon Arridge

Partial Differential Equations (PDEs) are central to science and engineering. Since solving them is computationally expensive, a lot of effort has been put into approximating their solution operator via both traditional and recently…

Machine Learning · Computer Science 2025-02-14 Alessandro Longhi , Danny Lathouwers , Zoltán Perkó

Neural ordinary differential equations (neural ODEs) can effectively learn dynamical systems from time series data, but their behavior on graph-structured data remains poorly understood, especially when applied to graphs with different size…

Physics and Society · Physics 2026-02-10 Moritz Laber , Tina Eliassi-Rad , Brennan Klein

The existing Neural ODE formulation relies on an explicit knowledge of the termination time. We extend Neural ODEs to implicitly defined termination criteria modeled by neural event functions, which can be chained together and…

Machine Learning · Computer Science 2021-10-28 Ricky T. Q. Chen , Brandon Amos , Maximilian Nickel

Spurred by tremendous success in pattern matching and prediction tasks, researchers increasingly resort to machine learning to aid original scientific discovery. Given large amounts of observational data about a system, can we uncover the…

Machine Learning · Computer Science 2025-01-31 Hananeh Aliee , Fabian J. Theis , Niki Kilbertus