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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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Statistics 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…

Disordered Systems and Neural Networks · Physics 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Statistics 2018-06-20 Roman Novak , Yasaman Bahri , Daniel A. Abolafia , Jeffrey Pennington , Jascha Sohl-Dickstein

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…

Machine Learning · Statistics 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…

Machine Learning · Computer Science 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)…

Computer Vision and Pattern Recognition · Computer Science 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…

Artificial Intelligence · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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}…

Optimization and Control · Mathematics 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…

Optimization and Control · Mathematics 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…

Optimization and Control · Mathematics 2017-10-17 Saeed Ghadimi , Han Liu , Tong Zhang
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