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High-performance graphical processing units (GPU) are used for the repeated parallelised propagation of non-linear partial differential equations on large spatio-temporal grids. The main challenge results as a combination of the requirement…

Turbulent fluid flows are among the most computationally demanding problems in science, requiring enormous computational resources that become prohibitive at high flow speeds. Physics-informed neural networks (PINNs) represent a radically…

机器学习 · 计算机科学 2025-10-14 Sifan Wang , Shyam Sankaran , Xiantao Fan , Panos Stinis , Paris Perdikaris

Learning-based methods have made significant progress in physics simulation, typically approximating dynamics with a monolithic end-to-end optimized neural network. Although these models offer an effective way to simulation, they may lose…

机器学习 · 计算机科学 2025-12-18 Yifei Li , Haixu Wu , Zeyi Xu , Tuur Stuyck , Wojciech Matusik

Machine learning interatomic potentials (MLIPs) are one of the main techniques in the materials science toolbox, able to bridge ab initio accuracy with the computational efficiency of classical force fields. This allows simulations ranging…

材料科学 · 物理学 2025-03-20 Bruno Focassio , Luis Paulo Mezzina Freitas , Gabriel R. Schleder

Neural networks are increasingly evolving towards training large models with big data, a method that has demonstrated superior performance across many tasks. However, this approach introduces an urgent problem: current deep learning models…

机器学习 · 计算机科学 2024-12-02 Wei Wang , Qing Li

Physics-informed neural networks (PINNs) have emerged as a versatile and widely applicable concept across various science and engineering domains over the past decade. This article offers a comprehensive overview of the fundamentals of…

计算工程、金融与科学 · 计算机科学 2024-10-02 Sai Ganga , Ziya Uddin

The classical development of neural networks has primarily focused on learning mappings between finite dimensional Euclidean spaces or finite sets. We propose a generalization of neural networks to learn operators, termed neural operators,…

Neural Processes (NPs) are a popular class of approaches for meta-learning. Similar to Gaussian Processes (GPs), NPs define distributions over functions and can estimate uncertainty in their predictions. However, unlike GPs, NPs and their…

机器学习 · 计算机科学 2023-02-09 Tung Nguyen , Aditya Grover

Physics-Informed Neural Networks (PINNs) offer a promising approach to solving differential equations and, more generally, to applying deep learning to problems in the physical sciences. We adopt a recently developed transfer learning…

机器学习 · 计算机科学 2022-11-02 Raphaël Pellegrin , Blake Bullwinkel , Marios Mattheakis , Pavlos Protopapas

The Earth's subsurface is a cornerstone of modern society, providing essential energy resources like hydrocarbons, geothermal, and minerals while serving as the primary reservoir for $CO_2$ sequestration. However, full physics numerical…

机器学习 · 计算机科学 2026-02-13 Xin Ju , Nok Hei , Fung , Yuyan Zhang , Carl Jacquemyn , Matthew Jackson , Randolph Settgast , Sally M. Benson , Gege Wen

We propose a novel neural network architecture, the normalized Transformer (nGPT) with representation learning on the hypersphere. In nGPT, all vectors forming the embeddings, MLP, attention matrices and hidden states are unit norm…

机器学习 · 计算机科学 2025-04-25 Ilya Loshchilov , Cheng-Ping Hsieh , Simeng Sun , Boris Ginsburg

Unified and scalable Transformers have recently achieved remarkable success in modeling diverse phenomena traditionally associated with computer graphics, such as 3D visual effects, rendering processes, and motion in videos. In this work,…

图形学 · 计算机科学 2026-05-28 Yu Zhang , Yidi Shao , Wenqi Ouyang , Yushi Lan , Zhexin Liang , Chengrui Wu , Xudong Xu , Xingang Pan

Continuum mechanics simulators, numerically solving one or more partial differential equations, are essential tools in many areas of science and engineering, but their performance often limits application in practice. Recent modern machine…

机器学习 · 计算机科学 2021-06-10 Mario Lino , Chris Cantwell , Anil A. Bharath , Stathi Fotiadis

This work addresses a fundamental challenge in applying deep learning to power systems: developing neural network models that transfer across significant system changes, including networks with entirely different topologies and…

系统与控制 · 电气工程与系统科学 2025-09-11 Tong Wu , Anna Scaglione , Sandy Miguel , Daniel Arnold

PDEs arise ubiquitously in science and engineering, where solutions depend on parameters (physical properties, boundary conditions, geometry). Traditional numerical methods require re-solving the PDE for each parameter, making parameter…

机器学习 · 统计学 2026-02-02 Zhuo Zhang , Xiong Xiong , Sen Zhang , Yuan Zhao , Xi Yang

Recently, the superior performance of Transformers has made them a more robust and scalable solution for sequence modeling than traditional recurrent neural networks (RNNs). However, the effectiveness of Transformer in capturing long-term…

机器学习 · 计算机科学 2025-05-07 Zhou Wu , Junyi An , Baile Xu , Furao Shen , Jian Zhao

Transformers are deep architectures that define "in-context mappings" which enable predicting new tokens based on a given set of tokens (such as a prompt in NLP applications or a set of patches for a vision transformer). In this work, we…

计算与语言 · 计算机科学 2024-10-04 Takashi Furuya , Maarten V. de Hoop , Gabriel Peyré

Variational principles are a unifying mathematical framework across many areas of physics, yet their instruction at the undergraduate level remains primarily analytical. This work presents a pedagogically oriented and computationally…

计算物理 · 物理学 2026-01-06 Aman Razdan , Aditya Shankar Mazumdar , Amit Tanwar , Pragati Ashdhir

Turbulence is notoriously difficult to model due to its multi-scale nature and sensitivity to small perturbations. Classical solvers of turbulence simulation generally operate on finer grids and are computationally inefficient. In this…

流体动力学 · 物理学 2022-07-12 Yuchen Dang , Zheyuan Hu , Miles Cranmer , Michael Eickenberg , Shirley Ho

Unrolling training trajectories over time strongly influences the inference accuracy of neural network-augmented physics simulators. We analyze this in three variants of training neural time-steppers. In addition to one-step setups and…

计算物理 · 物理学 2024-10-11 Bjoern List , Li-Wei Chen , Kartik Bali , Nils Thuerey