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Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

机器学习 · 计算机科学 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

It is generally thought that the use of stochastic activation functions in deep learning architectures yield models with superior generalization abilities. However, a sufficiently rigorous statement and theoretical proof of this heuristic…

机器学习 · 计算机科学 2024-06-25 Sriram Nagaraj , Truman Hickok

The integration of Spiking Neural Networks (SNNs) and Graph Neural Networks (GNNs) is gradually attracting attention due to the low power consumption and high efficiency in processing the non-Euclidean data represented by graphs. However,…

神经与进化计算 · 计算机科学 2025-07-15 Nan Yin , Mengzhu Wang , Zhenghan Chen , Giulia De Masi , Bin Gu , Huan Xiong

Understanding natural symmetries is key to making sense of our complex and ever-changing world. Recent work has shown that neural networks can learn such symmetries directly from data using Hamiltonian Neural Networks (HNNs). But HNNs…

机器学习 · 计算机科学 2022-01-27 Andrew Sosanya , Sam Greydanus

Graph neural networks (GNNs) can extract features by learning both the representation of each objects (i.e., graph nodes) and the relationship across different objects (i.e., the edges that connect nodes), achieving state-of-the-art…

硬件体系结构 · 计算机科学 2022-05-11 Yunjae Lee , Jinha Chung , Minsoo Rhu

Stochastic gradient descent (SGD) is a premium optimization method for training neural networks, especially for learning objectively defined labels such as image objects and events. When a neural network is instead faced with subjectively…

神经与进化计算 · 计算机科学 2022-04-15 Kosmas Pinitas , Konstantinos Makantasis , Antonios Liapis , Georgios N. Yannakakis

Learning unknown stochastic differential equations (SDEs) from observed data is a significant and challenging task with applications in various fields. Current approaches often use neural networks to represent drift and diffusion functions,…

机器学习 · 计算机科学 2024-06-21 Aiqing Zhu , Qianxiao Li

Graph neural networks (GNNs) are an emerging model for learning graph embeddings and making predictions on graph structured data. However, robustness of graph neural networks is not yet well-understood. In this work, we focus on node…

机器学习 · 计算机科学 2019-12-24 James Fox , Sivasankaran Rajamanickam

Graph neural networks (GNNs) build on the success of deep learning models by extending them for use in graph spaces. Transfer learning has proven extremely successful for traditional deep learning problems: resulting in faster training and…

机器学习 · 计算机科学 2022-02-03 Nishai Kooverjee , Steven James , Terence van Zyl

Neural stochastic differential equation model with a Brownian motion term can capture epistemic uncertainty of deep neural network from the perspective of a dynamical system. The goal of this paper is to improve the convergence rate of the…

数值分析 · 数学 2025-09-09 Daili Sheng , Minghui Song , Xiang Peng , Xuanqi Dong

Learning from graph-structured data is an important task in machine learning and artificial intelligence, for which Graph Neural Networks (GNNs) have shown great promise. Motivated by recent advances in geometric representation learning, we…

机器学习 · 计算机科学 2019-10-30 Qi Liu , Maximilian Nickel , Douwe Kiela

In this chapter, we utilize dynamical systems to analyze several aspects of machine learning algorithms. As an expository contribution we demonstrate how to re-formulate a wide variety of challenges from deep neural networks, (stochastic)…

动力系统 · 数学 2025-07-08 Dennis Chemnitz , Maximilian Engel , Christian Kuehn , Sara-Viola Kuntz

Natural physical, chemical, and biological dynamical systems are often complex, with heterogeneous components interacting in diverse ways. We show how simple graph neural networks can be designed to jointly learn the interaction rules and…

Understanding real-world dynamical phenomena remains a challenging task. Across various scientific disciplines, machine learning has advanced as the go-to technology to analyze nonlinear dynamical systems, identify patterns in big data, and…

机器学习 · 计算机科学 2022-12-07 Kevin Linka , Amelie Schafer , Xuhui Meng , Zongren Zou , George Em Karniadakis , Ellen Kuhl

Implicit graph neural networks have gained popularity in recent years as they capture long-range dependencies while improving predictive performance in static graphs. Despite the tussle between performance degradation due to the…

机器学习 · 计算机科学 2024-06-27 Yongjian Zhong , Hieu Vu , Tianbao Yang , Bijaya Adhikari

From designing architected materials to connecting mechanical behavior across scales, computational modeling is a critical tool in solid mechanics. Recently, there has been a growing interest in using machine learning to reduce the…

机器学习 · 计算机科学 2022-07-05 Peerasait Prachaseree , Emma Lejeune

The beauty of physics is that there is usually a conserved quantity in an always-changing system, known as the constant of motion. Finding the constant of motion is important in understanding the dynamics of the system, but typically…

机器学习 · 计算机科学 2022-10-05 Muhammad Firmansyah Kasim , Yi Heng Lim

We propose a systematic method for learning stable and physically interpretable dynamical models using sampled trajectory data from physical processes based on a generalized Onsager principle. The learned dynamics are autonomous ordinary…

动力系统 · 数学 2021-11-25 Haijun Yu , Xinyuan Tian , Weinan E , Qianxiao Li

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

机器学习 · 计算机科学 2024-06-24 Max Wasserman , Gonzalo Mateos

Lagrangian Neural Networks (LNNs) present a principled and interpretable framework for learning the system dynamics by utilizing inductive biases. While traditional dynamics models struggle with compounding errors over long horizons, LNNs…

机器人学 · 计算机科学 2025-06-23 Prakrut Kotecha , Aditya Shirwatkar , Shishir Kolathaya
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