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Deep learning models are widely used across computer vision and other domains. When working on the model induction, selecting the right architecture for a given dataset often relies on repetitive trial-and-error procedures. This procedure…

Machine Learning · Computer Science 2026-01-06 Yen-Chia Chen , Hsing-Kuo Pao , Hanjuan Huang

Spatially distributed problems are often approximately modelled in terms of partial differential equations (PDEs) for appropriate coarse-grained quantities (e.g. concentrations). The derivation of accurate such PDEs starting from finer…

Quantitative Methods · Quantitative Biology 2009-11-13 Liang Qiao , Radek Erban , C. T. Kelley , Ioannis G. Kevrekidis

Recent deep learning models for tabular data currently compete with the traditional ML models based on decision trees (GBDT). Unlike GBDT, deep models can additionally benefit from pretraining, which is a workhorse of DL for vision and NLP.…

Machine Learning · Computer Science 2022-07-13 Ivan Rubachev , Artem Alekberov , Yury Gorishniy , Artem Babenko

This work introduces a paradigm for constructing parametric neural operators that are derived from finite-dimensional representations of Green's operators for linear partial differential equations (PDEs). We refer to such neural operators…

Machine Learning · Computer Science 2026-04-10 Hugo Melchers , Joost Prins , Michael Abdelmalik

Neural operators (NOs) provide a new paradigm for efficiently solving partial differential equations (PDEs), but their training depends on costly high-fidelity data from numerical solvers, limiting applications in complex systems. We…

Computational Physics · Physics 2026-05-18 Wen You , Shaoqian Zhou , Xuhui Meng

Operator learning has become a powerful tool for accelerating the solution of parameterized partial differential equations (PDEs), enabling rapid prediction of full spatiotemporal fields for new initial conditions or forcing functions.…

Machine Learning · Computer Science 2025-12-18 Hongjin Mi , Huiqiang Lun , Changhong Mou , Yeyu Zhang

Deep structured-prediction energy-based models combine the expressive power of learned representations and the ability of embedding knowledge about the task at hand into the system. A common way to learn parameters of such models consists…

Machine Learning · Computer Science 2019-03-01 Aleksandr Shevchenko , Anton Osokin

Recent progress in scientific machine learning (SciML) has opened up the possibility of training novel neural network architectures that solve complex partial differential equations (PDEs). Several (nearly data free) approaches have been…

Deep learning techniques have revolutionised medical imaging, improving diagnostic accuracy and enabling both more accurate and earlier disease detection. However, the relationship between pre-training strategies and downstream performance…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Felix Krones

Optimal control problems with nonsmooth objectives and nonlinear partial differential equation (PDE) constraints are challenging, mainly because of the underlying nonsmooth and nonconvex structures and the demanding computational cost for…

Optimization and Control · Mathematics 2025-04-25 Yongcun Song , Xiaoming Yuan , Hangrui Yue , Tianyou Zeng

Solving parametric partial differential equations (PDEs) presents significant challenges for data-driven methods due to the sensitivity of spatio-temporal dynamics to variations in PDE parameters. Machine learning approaches often struggle…

Machine Learning · Computer Science 2024-11-11 Armand Kassaï Koupaï , Jorge Mifsut Benet , Yuan Yin , Jean-Noël Vittaut , Patrick Gallinari

Solving partial differential equations (PDEs) is a fundamental problem in science and engineering. While neural PDE solvers can be more efficient than established numerical solvers, they often require large amounts of training data that is…

Machine Learning · Computer Science 2025-03-25 Daniel Musekamp , Marimuthu Kalimuthu , David Holzmüller , Makoto Takamoto , Mathias Niepert

Learning system dynamics from observations is a critical problem in many applications over various real-world complex systems, e.g., climate, ecology, and fluid systems. Recently, neural dynamics modeling method have become a prevalent…

Machine Learning · Computer Science 2026-03-25 Yiming Wang , Zhengnan Zhang , Genghe Zhang , Jiawen Dan , Changchun Li , Chenlong Hu , Chris Nugent , Jun Liu , Ximing Li , Bo Yang

Machine learning approaches have become popular for molecular modeling tasks, including molecular force fields and properties prediction. Traditional supervised learning methods suffer from scarcity of labeled data for particular tasks,…

Chemical Physics · Physics 2022-11-29 Xiang Gao , Weihao Gao , Wenzhi Xiao , Zhirui Wang , Chong Wang , Liang Xiang

Pretraining language models directly on web-scale corpora is the de facto paradigm. We study an alternative where the model is initially exposed to abstract structured data to ease the subsequent acquisition of rich semantic knowledge, much…

Computation and Language · Computer Science 2026-05-29 Liangze Jiang , Zachary Shinnick , Anton van den Hengel , Hemanth Saratchandran , Damien Teney

Neural Ordinary Differential Equations (Neural ODEs) represent continuous-time dynamics with neural networks, offering advancements for modeling and control tasks. However, training Neural ODEs requires solving differential equations at…

Machine Learning · Computer Science 2025-02-24 Mariia Shapovalova , Calvin Tsay

Solving partial differential equations (PDEs) with machine learning typically requires training a new neural network for every new equation. This optimization is slow. We introduce MetaColloc. It is an optimization-free and data-free…

Machine Learning · Computer Science 2026-05-13 Zichuan Yang

Physics-Informed Neural Networks (PINNs) have emerged as a powerful framework for solving partial differential equations (PDEs) by embedding physical laws into neural network training. However, traditional PINN models are typically designed…

Machine Learning · Computer Science 2025-05-05 Keon Vin Park

Pretraining is a popular and powerful paradigm in machine learning to pass information from one model to another. As an example, suppose one has a modest-sized dataset of images of cats and dogs, and plans to fit a deep neural network to…

This article presents a three-step framework for learning and solving partial differential equations (PDEs) using kernel methods. Given a training set consisting of pairs of noisy PDE solutions and source/boundary terms on a mesh, kernel…

Machine Learning · Statistics 2023-04-03 Da Long , Nicole Mrvaljevic , Shandian Zhe , Bamdad Hosseini
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