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In recent years, graph representation learning has gained significant popularity, which aims to generate node embeddings that capture features of graphs. One of the methods to achieve this is employing a technique called random walks that…

机器学习 · 计算机科学 2022-10-13 Deniz Gurevin , Mohsin Shan , Tong Geng , Weiwen Jiang , Caiwen Ding , Omer Khan

Molecular Dynamics (MD) simulations are vital for exploring complex systems in computational physics and chemistry. While machine learning methods dramatically reduce computational costs relative to ab initio methods, their accuracy in…

材料科学 · 物理学 2025-07-18 Ivan Žugec , Tin Hadži Veljković , Maite Alducin , J. Iñaki Juaristi

Equivariant machine learning is an approach for designing deep learning models that respect the symmetries of the problem, with the aim of reducing model complexity and improving generalization. In this paper, we focus on an extension of…

机器学习 · 计算机科学 2024-12-10 Ya-Wei Eileen Lin , Ronen Talmon , Ron Levie

Accurately learning the temporal behavior of dynamical systems requires models with well-chosen learning biases. Recent innovations embed the Hamiltonian and Lagrangian formalisms into neural networks and demonstrate a significant…

机器学习 · 计算机科学 2021-10-04 Shaan Desai , Marios Mattheakis , David Sondak , Pavlos Protopapas , Stephen Roberts

We propose a methodology to extend the concept of Two-Stream Convolutional Networks to perform end-to-end learning for self-driving cars with temporal cues. The system has the ability to learn spatiotemporal features by simultaneously…

机器学习 · 计算机科学 2018-12-18 Nelson Fernandez

The accurate prediction of small scales in underresolved flows is still one of the main challenges in predictive simulations of complex configurations. Over the last few years, data-driven modeling has become popular in many fields as…

流体动力学 · 物理学 2022-10-31 Mathis Bode

Lagrangian Neural Networks (LNNs) are a powerful tool for addressing physical systems, particularly those governed by conservation laws. LNNs can parametrize the Lagrangian of a system to predict trajectories with nearly conserved energy.…

机器学习 · 计算机科学 2025-07-29 Viviana Alejandra Diaz , Leandro Martin Salomone , Marcela Zuccalli

As an efficient model for knowledge organization, the knowledge graph has been widely adopted in several fields, e.g., biomedicine, sociology, and education. And there is a steady trend of learning embedding representations of knowledge…

计算与语言 · 计算机科学 2024-04-01 Siyu Yao , Ruijie Wang , Shen Sun , Derui Bu , Jun Liu

Accurate inverse dynamics models are essential tools for controlling industrial robots. Recent research combines neural network regression with inverse dynamics formulations of the Newton-Euler and the Euler-Lagrange equations of motion,…

This paper presents a novel approach for constructing graph neural networks equivariant to 2D rotations and translations and leveraging them as PDE surrogates on non-gridded domains. We show that aligning the representations with the…

机器学习 · 计算机科学 2024-05-31 Maria Bånkestad , Olof Mogren , Aleksis Pirinen

Porous media is widely distributed in nature, found in environments such as soil, rock formations, and plant tissues, and is crucial in applications like subsurface oil and gas extraction, medical drug delivery, and filtration systems.…

地球物理 · 物理学 2025-01-03 Qingqi Zhao , Xiaoxue Han , Ruichang Guo , Cheng Chen

In recent years, deep learning techniques have shown great success in various tasks related to inverse problems, where a target quantity of interest can only be observed through indirect measurements by a forward operator. Common approaches…

数值分析 · 数学 2024-03-18 Matthias Beckmann , Nick Heilenkötter

Graph neural network (GNN) has gained increasing popularity in recent years owing to its capability and flexibility in modeling complex graph structure data. Among all graph learning methods, hypergraph learning is a technique for exploring…

机器学习 · 计算机科学 2024-12-31 Tiehua Zhang , Yuze Liu , Zhishu Shen , Xingjun Ma , Peng Qi , Zhijun Ding , Jiong Jin

In Reinforcement Learning (RL), Convolutional Neural Networks(CNNs) have been successfully applied as function approximators in Deep Q-Learning algorithms, which seek to learn action-value functions and policies in various environments.…

机器学习 · 计算机科学 2020-07-08 Arnab Kumar Mondal , Pratheeksha Nair , Kaleem Siddiqi

Physics-informed deep learning models have emerged as powerful tools for learning dynamical systems. These models directly encode physical principles into network architectures. However, systematic benchmarking of these approaches across…

The incorporation of appropriate inductive bias plays a critical role in learning dynamics from data. A growing body of work has been exploring ways to enforce energy conservation in the learned dynamics by encoding Lagrangian or…

机器人学 · 计算机科学 2021-11-15 Yaofeng Desmond Zhong , Biswadip Dey , Amit Chakraborty

Simulation of fluid flow in porous media has many applications, from the micro-scale (cell membranes, filters, rocks) to macro-scale (groundwater, hydrocarbon reservoirs, and geothermal) and beyond. Direct simulation of flow in porous media…

流体动力学 · 物理学 2020-04-27 Ying Da Wang , Traiwit Chung , Ryan T. Armstrong , Peyman Mostaghimi

While conventional Transformers generally operate on sequence data, they can be used in conjunction with structure models, typically SE(3)-invariant or equivariant graph neural networks (GNNs), for 3D applications such as protein structure…

机器学习 · 计算机科学 2025-08-04 Isaac Ellmen , Constantin Schneider , Matthew I. J. Raybould , Charlotte M. Deane

We focus on the problem of efficient sampling and learning of probability densities by incorporating symmetries in probabilistic models. We first introduce Equivariant Stein Variational Gradient Descent algorithm -- an equivariant sampling…

机器学习 · 计算机科学 2021-07-30 Priyank Jaini , Lars Holdijk , Max Welling

Platooning technology is renowned for its precise vehicle control, traffic flow optimization, and energy efficiency enhancement. However, in large-scale mixed platoons, vehicle heterogeneity and unpredictable traffic conditions lead to…

多智能体系统 · 计算机科学 2024-08-15 Xin Gao , Xueyuan Li , Hao Liu , Ao Li , Zhaoyang Ma , Zirui Li
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