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Graph Neural Networks (GNNs) have been studied through the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the…

机器学习 · 计算机科学 2021-05-27 Keyulu Xu , Mozhi Zhang , Stefanie Jegelka , Kenji Kawaguchi

Classical statistical learning theory predicts that overparameterized models should exhibit severe overfitting, yet modern deep neural networks with far more parameters than training samples consistently generalize well. This contradiction…

机器学习 · 计算机科学 2026-04-10 Zeran Johannsen

Despite their success with unstructured data, deep neural networks are not yet a panacea for structured tabular data. In the tabular domain, their efficiency crucially relies on various forms of regularization to prevent overfitting and…

机器学习 · 计算机科学 2023-03-10 Alan Jeffares , Tennison Liu , Jonathan Crabbé , Fergus Imrie , Mihaela van der Schaar

Despite their impressive performance, Deep Neural Networks (DNNs) typically underperform Gradient Boosting Trees (GBTs) on many tabular-dataset learning tasks. We propose that applying a different regularization coefficient to each weight…

机器学习 · 统计学 2018-10-25 Ira Shavitt , Eran Segal

Generative adversarial networks (GANs) are a class of machine-learning models that use adversarial training to generate new samples with the same (potentially very complex) statistics as the training samples. One major form of training…

无序系统与神经网络 · 物理学 2022-12-12 Steven Durr , Youssef Mroueh , Yuhai Tu , Shenshen Wang

Recently, the paradigm of pre-training and fine-tuning graph neural networks has been intensively studied and applied in a wide range of graph mining tasks. Its success is generally attributed to the structural consistency between…

机器学习 · 计算机科学 2023-12-22 Yifei Sun , Qi Zhu , Yang Yang , Chunping Wang , Tianyu Fan , Jiajun Zhu , Lei Chen

A core issue with learning to optimize neural networks has been the lack of generalization to real world problems. To address this, we describe a system designed from a generalization-first perspective, learning to update optimizer…

机器学习 · 计算机科学 2021-06-09 Diogo Almeida , Clemens Winter , Jie Tang , Wojciech Zaremba

Natural policy gradient methods are popular reinforcement learning methods that improve the stability of policy gradient methods by utilizing second-order approximations to precondition the gradient with the inverse of the…

机器学习 · 计算机科学 2022-10-12 Brennan Gebotys , Alexander Wong , David A. Clausi

In practice it is often found that large over-parameterized neural networks generalize better than their smaller counterparts, an observation that appears to conflict with classical notions of function complexity, which typically favor…

Understanding the asymptotic behavior of gradient-descent training of deep neural networks is essential for revealing inductive biases and improving network performance. We derive the infinite-time training limit of a mathematically…

机器学习 · 统计学 2022-02-08 Samuel Lippl , L. F. Abbott , SueYeon Chung

Stochastic optimization plays a crucial role in the advancement of deep learning technologies. Over the decades, significant effort has been dedicated to improving the training efficiency and robustness of deep neural networks, via various…

机器学习 · 计算机科学 2024-08-21 Huixiu Jiang , Ling Yang , Yu Bao , Rutong Si , Sikun Yang

This paper proposes a novel second-order optimization algorithm based on the Optimal Control Principle (OCP), applicable to large-scale optimization problems in neural network training. The algorithm has a computational complexity of O(d)…

计算机视觉与模式识别 · 计算机科学 2026-05-12 Jindi Zhong , Congyaohui Yin , Zhaorong Zhang , Huanshui Zhang

Systematic Generalization refers to a learning algorithm's ability to extrapolate learned behavior to unseen situations that are distinct but semantically similar to its training data. As shown in recent work, state-of-the-art deep learning…

人工智能 · 计算机科学 2020-10-06 Tong Gao , Qi Huang , Raymond J. Mooney

Grokking, or delayed generalization, is a phenomenon where generalization in a deep neural network (DNN) occurs long after achieving near zero training error. Previous studies have reported the occurrence of grokking in specific controlled…

机器学习 · 计算机科学 2024-06-10 Ahmed Imtiaz Humayun , Randall Balestriero , Richard Baraniuk

Supervised training of deep neural nets typically relies on minimizing cross-entropy. However, in many domains, we are interested in performing well on metrics specific to the application. In this paper we propose a direct loss minimization…

机器学习 · 计算机科学 2016-06-03 Yang Song , Alexander G. Schwing , Richard S. Zemel , Raquel Urtasun

Graph Neural Networks (GNNs) are powerful models for graph-structured data, with broad applications. However, the interplay between GNN parameter optimization, expressivity, and generalization remains poorly understood. We address this by…

机器学习 · 计算机科学 2025-09-16 Samir Moustafa , Lorenz Kummer , Simon Fetzel , Nils M. Kriege , Wilfried N. Gansterer

The instability of Generative Adversarial Network (GAN) training has frequently been attributed to gradient descent. Consequently, recent methods have aimed to tailor the models and training procedures to stabilise the discrete updates. In…

We extend the standard notion of self-concordance to non-convex optimization and develop a family of second-order algorithms with global convergence guarantees. In particular, two function classes -- \textit{weakly self-concordant}…

最优化与控制 · 数学 2026-04-07 Donald Goldfarb , Lexiao Lai , Tianyi Lin , Jiayu Zhang

A q-Gauss-Newton algorithm is an iterative procedure that solves nonlinear unconstrained optimization problems based on minimization of the sum squared errors of the objective function residuals. Main advantage of the algorithm is that it…

最优化与控制 · 数学 2021-05-28 Danijela Protic , Miomir Stankovic

In this paper, we generalize (accelerated) Newton's method with cubic regularization under inexact second-order information for (strongly) convex optimization problems. Under mild assumptions, we provide global rate of convergence of these…

最优化与控制 · 数学 2017-10-17 Saeed Ghadimi , Han Liu , Tong Zhang
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