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Overparameterized ML models, including neural networks, typically induce underdetermined training objectives with multiple global minima. The implicit bias refers to the limiting global minimum that is attained by a common optimization…

Machine Learning · Statistics 2026-03-06 Kuo-Wei Lai , Guanghui Wang , Molei Tao , Vidya Muthukumar

The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured…

Machine Learning · Computer Science 2022-06-10 Zepeng Zhang , Ziping Zhao

To infer multilayer deep representations of high-dimensional discrete and nonnegative real vectors, we propose an augmentable gamma belief network (GBN) that factorizes each of its hidden layers into the product of a sparse connection…

Machine Learning · Statistics 2016-10-07 Mingyuan Zhou , Yulai Cong , Bo Chen

Following early work on Hessian-free methods for deep learning, we study a stochastic generalized Gauss-Newton method (SGN) for training DNNs. SGN is a second-order optimization method, with efficient iterations, that we demonstrate to…

Machine Learning · Computer Science 2020-06-11 Matilde Gargiani , Andrea Zanelli , Moritz Diehl , Frank Hutter

In deep learning, a central issue is to understand how neural networks efficiently learn high-dimensional features. To this end, we explore the gradient descent learning of a general Gaussian Multi-index model…

Machine Learning · Statistics 2026-02-06 Bohan Zhang , Zihao Wang , Hengyu Fu , Jason D. Lee

Graph neural networks (GNNs) have demonstrated remarkable capabilities in learning from graph-structured data, often outperforming traditional Multilayer Perceptrons (MLPs) in numerous graph-based tasks. Although existing works have…

Machine Learning · Computer Science 2025-06-09 Wei Huang , Yuan Cao , Haonan Wang , Xin Cao , Taiji Suzuki

Presently with technology node scaling, an accurate prediction model at early design stages can significantly reduce the design cycle. Especially during logic synthesis, predicting cell congestion due to improper logic combination can…

Machine Learning · Computer Science 2021-11-12 Amur Ghose , Vincent Zhang , Yingxue Zhang , Dong Li , Wulong Liu , Mark Coates

Graph neural networks (GNNs) have achieved strong performance across various real-world domains. Nevertheless, they suffer from oversquashing, where long-range information is distorted as it is compressed through limited message-passing…

Machine Learning · Computer Science 2026-04-03 Tanvir Hossain , Muhammad Ifte Khairul Islam , Lilia Chebbah , Charles Fanning , Esra Akbas

Information-theoretic (IT) generalization bounds have been used to study the generalization of learning algorithms. These bounds are intrinsically data- and algorithm-dependent so that one can exploit the properties of data and algorithm to…

Machine Learning · Computer Science 2026-01-06 Ze Peng , Jian Zhang , Yisen Wang , Lei Qi , Yinghuan Shi , Yang Gao

Neural networks exhibit good generalization behavior in the over-parameterized regime, where the number of network parameters exceeds the number of observations. Nonetheless, current generalization bounds for neural networks fail to explain…

Machine Learning · Computer Science 2017-10-30 Alon Brutzkus , Amir Globerson , Eran Malach , Shai Shalev-Shwartz

Graph convolutional networks (GCNs) have recently achieved great empirical success in learning graph-structured data. To address its scalability issue due to the recursive embedding of neighboring features, graph topology sampling has been…

Machine Learning · Computer Science 2023-12-12 Hongkang Li , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

Machine learning (ML) methods have gained increasing popularity in exploring and developing new materials. More specifically, graph neural network (GNN) has been applied in predicting material properties. In this work, we develop a novel…

Computational Physics · Physics 2020-08-18 Steph-Yves Louis , Yong Zhao , Alireza Nasiri , Xiran Wong , Yuqi Song , Fei Liu , Jianjun Hu

Understanding the generalization properties of neural networks on simple input-output distributions is key to explaining their performance on real datasets. The classical teacher-student setting, where a network is trained on data generated…

Disordered Systems and Neural Networks · Physics 2026-03-26 Rodrigo Pérez Ortiz , Gibbs Nwemadji , Jean Barbier , Federica Gerace , Alessandro Ingrosso , Clarissa Lauditi , Enrico M. Malatesta

This dissertation studies a fundamental open challenge in deep learning theory: why do deep networks generalize well even while being overparameterized, unregularized and fitting the training data to zero error? In the first part of the…

Machine Learning · Computer Science 2021-10-19 Vaishnavh Nagarajan

In the context of neural network models, overparametrization refers to the phenomena whereby these models appear to generalize well on the unseen data, even though the number of parameters significantly exceeds the sample sizes, and the…

Machine Learning · Statistics 2020-03-25 Matt Emschwiller , David Gamarnik , Eren C. Kızıldağ , Ilias Zadik

The fundamental learning theory behind neural networks remains largely open. What classes of functions can neural networks actually learn? Why doesn't the trained network overfit when it is overparameterized? In this work, we prove that…

Machine Learning · Computer Science 2020-06-02 Zeyuan Allen-Zhu , Yuanzhi Li , Yingyu Liang

The convergence of GD and SGD when training mildly parameterized neural networks starting from random initialization is studied. For a broad range of models and loss functions, including the most commonly used square loss and cross entropy…

Machine Learning · Computer Science 2023-05-30 Mingze Wang , Chao Ma

We study the convergence of gradient descent (GD) and stochastic gradient descent (SGD) for training $L$-hidden-layer linear residual networks (ResNets). We prove that for training deep residual networks with certain linear transformations…

Machine Learning · Computer Science 2020-03-03 Difan Zou , Philip M. Long , Quanquan Gu

This paper pursues a twofold goal. First, we introduce and study in detail a new notion of variational analysis called generalized metric subregularity, which is a far-going extension of the conventional metric subregularity conditions. Our…

Optimization and Control · Mathematics 2024-06-21 Guoyin Li , Boris Mordukhovich , Jiangxing Zhu

Graph neural networks (GNNs) have shown great power in learning on attributed graphs. However, it is still a challenge for GNNs to utilize information faraway from the source node. Moreover, general GNNs require graph attributes as input,…

Machine Learning · Computer Science 2021-12-28 Danhao Zhu , Xin-yu Dai , Jiajun Chen