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We study the learning of numerical algorithms for scientific computing, which combines mathematically driven, handcrafted design of general algorithm structure with a data-driven adaptation to specific classes of tasks. This represents a…

Numerical Analysis · Mathematics 2022-07-12 Yue Guo , Felix Dietrich , Tom Bertalan , Danimir T. Doncevic , Manuel Dahmen , Ioannis G. Kevrekidis , Qianxiao Li

We present differentially private (DP) algorithms for bilevel optimization, a problem class that received significant attention lately in various machine learning applications. These are the first algorithms for such problems under standard…

Machine Learning · Computer Science 2026-01-15 Guy Kornowski

The composition of pretraining data is a key determinant of foundation models' performance, but there is no standard guideline for allocating a limited computational budget across different data sources. Most current approaches either rely…

Machine Learning · Computer Science 2024-10-16 Yiding Jiang , Allan Zhou , Zhili Feng , Sadhika Malladi , J. Zico Kolter

We propose a physics-informed quantum algorithm to solve nonlinear and multidimensional differential equations (DEs) in a quantum latent space. We suggest a strategy for building quantum models as state overlaps, where exponentially large…

Quantum Physics · Physics 2023-08-04 Annie E. Paine , Vincent E. Elfving , Oleksandr Kyriienko

Numerical solutions of partial differential equations enable a broad range of scientific research. The Dedalus Project is a flexible, open-source, parallelized computational framework for solving general partial differential equations using…

Instrumentation and Methods for Astrophysics · Physics 2020-04-29 Keaton J. Burns , Geoffrey M. Vasil , Jeffrey S. Oishi , Daniel Lecoanet , Benjamin P. Brown

Solvers for partial differential equations (PDE) are one of the cornerstones of computational science. For large problems, they involve huge amounts of data that needs to be stored and transmitted on all levels of the memory hierarchy.…

Numerical Analysis · Mathematics 2019-09-19 Sebastian Götschel , Martin Weiser

Neural Ordinary Differential Equations (NODEs), a framework of continuous-depth neural networks, have been widely applied, showing exceptional efficacy in coping with representative datasets. Recently, an augmented framework has been…

Machine Learning · Computer Science 2023-04-12 Qunxi Zhu , Yao Guo , Wei Lin

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

A key aspect of learned partial differential equation (PDE) solvers is that the main cost often comes from generating training data with classical solvers rather than learning the model itself. Another is that there are clear axes of…

Machine Learning · Computer Science 2026-01-26 Naman Choudhary , Vedant Singh , Ameet Talwalkar , Nicholas Matthew Boffi , Mikhail Khodak , Tanya Marwah

Recent advances in the theory of Neural Operators (NOs) have enabled fast and accurate computation of the solutions to complex systems described by partial differential equations (PDEs). Despite their great success, current NO-based…

Machine Learning · Computer Science 2024-03-18 Ashutosh Singh , Ricardo Augusto Borsoi , Deniz Erdogmus , Tales Imbiriba

Computational advances have fundamentally transformed the landscape of numerical simulations, enabling unprecedented levels of complexity and precision in modeling physical phenomena. While these high-fidelity simulations offer invaluable…

Fluid Dynamics · Physics 2025-09-09 Shinhoo Kang , Emil M. Constantinescu

In this paper, we propose physics-informed neural operators (PINO) that combine training data and physics constraints to learn the solution operator of a given family of parametric Partial Differential Equations (PDE). PINO is the first…

We present an algorithm which allows to solve analytically linear systems of differential equations which factorize to first order. The solution is given in terms of iterated integrals over an alphabet where its structure is implied by the…

High Energy Physics - Phenomenology · Physics 2018-12-19 J. Ablinger , J. Blümlein , P. Marquard , N. Rana , C. Schneider

It is critical yet challenging for deep learning models to properly characterize uncertainty that is pervasive in real-world environments. Although a lot of efforts have been made, such as heteroscedastic neural networks (HNNs), little work…

Machine Learning · Computer Science 2021-03-30 Peng Cui , Zhijie Deng , Wenbo Hu , Jun Zhu

Scientific discovery and engineering design are currently limited by the time and cost of physical experiments, selected mostly through trial-and-error and intuition that require deep domain expertise. Numerical simulations present an…

Machine Learning · Computer Science 2024-01-08 Kamyar Azizzadenesheli , Nikola Kovachki , Zongyi Li , Miguel Liu-Schiaffini , Jean Kossaifi , Anima Anandkumar

For more than two centuries, solutions of differential equations have been obtained either analytically or numerically based on typically well-behaved forcing and boundary conditions for well-posed problems. We are changing this paradigm in…

Machine Learning · Computer Science 2017-03-08 Maziar Raissi , Paris Perdikaris , George Em. Karniadakis

Optimizing neural networks with loss that contain high-dimensional and high-order differential operators is expensive to evaluate with back-propagation due to $\mathcal{O}(d^{k})$ scaling of the derivative tensor size and the…

Machine Learning · Computer Science 2025-01-14 Zekun Shi , Zheyuan Hu , Min Lin , Kenji Kawaguchi

The focus of this paper is two fold. Firstly, we present a logical approach to graph modification problems such as minimum node deletion, edge deletion, edge augmentation problems by expressing them as an expression in first order (FO)…

Logic in Computer Science · Computer Science 2017-11-09 Kona Harshita , Sounaka Mishra , Renjith. P , N. Sadagopan

We develop a transformer-based sequence-to-sequence model that recovers scalar ordinary differential equations (ODEs) in symbolic form from irregularly sampled and noisy observations of a single solution trajectory. We demonstrate in…

Machine Learning · Computer Science 2023-07-25 Sören Becker , Michal Klein , Alexander Neitz , Giambattista Parascandolo , Niki Kilbertus

In the semiconductor industry, integrated circuit (IC) processes play a vital role, as the rising complexity and market expectations necessitate improvements in yield. Identifying IC defects and assigning IC testing tasks to the right…

Artificial Intelligence · Computer Science 2025-06-04 Lo Pang-Yun Ting , Yu-Hao Chiang , Yi-Tung Tsai , Hsu-Chao Lai , Kun-Ta Chuang