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Graph neural networks (GNNs) have drawn increasing attention in recent years and achieved remarkable performance in many graph-based tasks, especially in semi-supervised learning on graphs. However, most existing GNNs are based on the…

Machine Learning · Computer Science 2024-01-24 Li Zhou , Wenyu Chen , Dingyi Zeng , Shaohuan Cheng , Wanlong Liu , Malu Zhang , Hong Qu

We attribute grokking, the phenomenon where generalization is much delayed after memorization, to compression. To do so, we define linear mapping number (LMN) to measure network complexity, which is a generalized version of linear region…

Machine Learning · Computer Science 2023-10-10 Ziming Liu , Ziqian Zhong , Max Tegmark

Grokking is an intriguing phenomenon of delayed generalization, where neural networks initially memorize training data with perfect accuracy but exhibit poor generalization, subsequently transitioning to a generalizing solution with…

Machine Learning · Computer Science 2025-05-12 Gouki Minegishi , Yusuke Iwasawa , Yutaka Matsuo

In this paper, we investigate the phenomenon of grokking, where models exhibit delayed generalization following overfitting on training data. We focus on data-scarce regimes where the number of training samples falls below the critical…

Machine Learning · Computer Science 2025-11-10 Vaibhav Singh , Eugene Belilovsky , Rahaf Aljundi

It is a central challenge in deep learning to understand how neural networks learn representations. A leading approach is the Neural Feature Ansatz (NFA) (Radhakrishnan et al. 2024), a conjectured mechanism for how feature learning occurs.…

Machine Learning · Computer Science 2025-09-08 Enric Boix-Adsera , Neil Mallinar , James B. Simon , Mikhail Belkin

Learning useful node and graph representations with graph neural networks (GNNs) is a challenging task. It is known that deep GNNs suffer from over-smoothing where, as the number of layers increases, node representations become nearly…

Machine Learning · Computer Science 2022-02-28 Pantelis Elinas , Edwin V. Bonilla

Feature discrimination is a crucial aspect of neural network design, as it directly impacts the network's ability to distinguish between classes and generalize across diverse datasets. The accomplishment of achieving high-quality feature…

Neural and Evolutionary Computing · Computer Science 2025-02-18 Katerina Maria Oikonomou , Ioannis Kansizoglou , Antonios Gasteratos

First-order methods such as stochastic gradient descent (SGD) are currently the standard algorithm for training deep neural networks. Second-order methods, despite their better convergence rate, are rarely used in practice due to the…

Machine Learning · Computer Science 2019-09-26 Tianle Cai , Ruiqi Gao , Jikai Hou , Siyu Chen , Dong Wang , Di He , Zhihua Zhang , Liwei Wang

A primary advantage of neural networks lies in their feature learning characteristics, which is challenging to theoretically analyze due to the complexity of their training dynamics. We propose a new paradigm for studying feature learning…

Machine Learning · Computer Science 2024-12-30 Haobo Zhang , Jianfa Lai , Yicheng Li , Qian Lin , Jun S. Liu

We study the optimization of wide neural networks (NNs) via gradient flow (GF) in setups that allow feature learning while admitting non-asymptotic global convergence guarantees. First, for wide shallow NNs under the mean-field scaling and…

Machine Learning · Computer Science 2022-04-25 Zhengdao Chen , Eric Vanden-Eijnden , Joan Bruna

While graph kernels (GKs) are easy to train and enjoy provable theoretical guarantees, their practical performances are limited by their expressive power, as the kernel function often depends on hand-crafted combinatorial features of…

Machine Learning · Computer Science 2019-11-05 Simon S. Du , Kangcheng Hou , Barnabás Póczos , Ruslan Salakhutdinov , Ruosong Wang , Keyulu Xu

Grokking, a phenomenon where machine learning models generalize long after overfitting, has been primarily observed and studied in algorithmic tasks. This paper explores grokking in real-world datasets using deep neural networks for…

Machine Learning · Computer Science 2024-06-21 Satvik Golechha

Understanding the advantages of deep neural networks trained by gradient descent (GD) compared to shallow models remains an open theoretical challenge. In this paper, we introduce a class of target functions (single and multi-index Gaussian…

Machine Learning · Statistics 2025-11-17 Yatin Dandi , Luca Pesce , Lenka Zdeborová , Florent Krzakala

According to a popular viewpoint, neural networks learn from data by first identifying low-dimensional representations, and subsequently fitting the best model in this space. Recent works provide a formalization of this phenomenon when…

Machine Learning · Computer Science 2026-02-27 Andrea Montanari , Zihao Wang

Deep learning achieves remarkable generalization capability with overwhelming number of model parameters. Theoretical understanding of deep learning generalization receives recent attention yet remains not fully explored. This paper…

Machine Learning · Computer Science 2017-11-22 Guanhua Zheng , Jitao Sang , Changsheng Xu

Graph neural networks (GNNs) are widely used for learning node embeddings in graphs, typically adopting a message-passing scheme. This approach, however, leads to the neighbor explosion problem, with exponentially growing computational and…

Machine Learning · Computer Science 2025-07-08 Zichao Yue , Chenhui Deng , Zhiru Zhang

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Knowledge distillation (KD) has shown to be effective to boost the performance of graph neural networks (GNNs), where the typical objective is to distill knowledge from a deeper teacher GNN into a shallower student GNN. However, it is often…

Machine Learning · Computer Science 2023-11-17 Kaituo Feng , Yikun Miao , Changsheng Li , Ye Yuan , Guoren Wang

Grokking, the sudden transition from memorization to generalization, is characterized by the emergence of low-dimensional representations, yet the mechanism underlying this organization remains elusive. We propose that intrinsic task…

Machine Learning · Computer Science 2026-03-03 Hyeonbin Hwang , Yeachan Park

Second-order optimization has been shown to accelerate the training of deep neural networks in many applications, often yielding faster progress per iteration on the training loss compared to first-order optimizers. However, the…

Machine Learning · Computer Science 2024-11-14 Davide Buffelli , Jamie McGowan , Wangkun Xu , Alexandru Cioba , Da-shan Shiu , Guillaume Hennequin , Alberto Bernacchia
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