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Recent works have shown that on sufficiently over-parametrized neural nets, gradient descent with relatively large initialization optimizes a prediction function in the RKHS of the Neural Tangent Kernel (NTK). This analysis leads to global…

机器学习 · 统计学 2020-04-28 Colin Wei , Jason D. Lee , Qiang Liu , Tengyu Ma

Graph neural networks (GNNs) excel in modeling relational data such as biological, social, and transportation networks, but the underpinnings of their success are not well understood. Traditional complexity measures from statistical…

机器学习 · 计算机科学 2024-01-24 Cheng Shi , Liming Pan , Hong Hu , Ivan Dokmanić

Although graph neural networks (GNNs) have made great progress recently on learning from graph-structured data in practice, their theoretical guarantee on generalizability remains elusive in the literature. In this paper, we provide a…

机器学习 · 计算机科学 2020-06-26 Shuai Zhang , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

Neural networks trained with standard objectives exhibit behaviors characteristic of probabilistic inference: soft clustering, prototype specialization, and Bayesian uncertainty tracking. These phenomena appear across architectures -- in…

机器学习 · 计算机科学 2026-01-01 Alan Oursland

Recent neural network-based wave functions have achieved state-of-the-art accuracies in modeling ab-initio ground-state potential energy surface. However, these networks can only solve different spatial arrangements of the same set of…

机器学习 · 计算机科学 2023-06-01 Nicholas Gao , Stephan Günnemann

In this work we study the problem of network morphism, an effective learning scheme to morph a well-trained neural network to a new one with the network function completely preserved. Different from existing work where basic morphing types…

机器学习 · 计算机科学 2017-01-13 Tao Wei , Changhu Wang , Chang Wen Chen

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…

机器学习 · 统计学 2025-11-17 Yatin Dandi , Luca Pesce , Lenka Zdeborová , Florent Krzakala

The last decade has witnessed an experimental revolution in data science and machine learning, epitomised by deep learning methods. Indeed, many high-dimensional learning tasks previously thought to be beyond reach -- such as computer…

机器学习 · 计算机科学 2021-05-04 Michael M. Bronstein , Joan Bruna , Taco Cohen , Petar Veličković

Human intelligence is characterized not only by the capacity to learn complex skills, but the ability to rapidly adapt and acquire new skills within an ever-changing environment. In this work we study how the learning of modular solutions…

机器学习 · 计算机科学 2020-10-26 Jianan Wang , Eren Sezener , David Budden , Marcus Hutter , Joel Veness

We decompose the spectral edge -- the dominant direction of the Gram matrix of parameter updates -- into its gradient and weight-decay components during grokking in two sequence tasks (Dyck-1 and SCAN). We find a sharp two-phase lifecycle:…

机器学习 · 计算机科学 2026-04-10 Yongzhong Xu

Gating is a key feature in modern neural networks including LSTMs, GRUs and sparsely-gated deep neural networks. The backbone of such gated networks is a mixture-of-experts layer, where several experts make regression decisions and gating…

机器学习 · 计算机科学 2020-06-19 Ashok Vardhan Makkuva , Sewoong Oh , Sreeram Kannan , Pramod Viswanath

The manifold hypothesis (MH) is often used to explain how machine learning can overcome the curse of dimensionality. However, the MH is only applicable in regimes where the training data provides a sufficiently dense sample of the…

In this work we study generalization of neural networks in gradient-based meta-learning by analyzing various properties of the objective landscapes. We experimentally demonstrate that as meta-training progresses, the meta-test solutions,…

机器学习 · 计算机科学 2019-07-18 Simon Guiroy , Vikas Verma , Christopher Pal

Gradients play a pivotal role in neural networks explanation. The inherent high dimensionality and structural complexity of neural networks result in the original gradients containing a significant amount of noise. While several approaches…

机器学习 · 计算机科学 2024-07-02 Linjiang Zhou , Xiaochuan Shi , Chao Ma , Zepeng Wang

We study the complexity of training neural network models with one hidden nonlinear activation layer and an output weighted sum layer. We analyze Gradient Descent applied to learning a bounded target function on $n$ real-valued inputs. We…

机器学习 · 计算机科学 2019-05-28 Santosh Vempala , John Wilmes

Spectral bias, the tendency of neural networks to learn low frequencies first, can be both a blessing and a curse. While it enhances the generalization capabilities by suppressing high-frequency noise, it can be a limitation in scientific…

机器学习 · 计算机科学 2026-05-08 Shuai Jiang , Alexey Voronin , Eric Cyr , Ben Southworth

In a variety of problems originating in supervised, unsupervised, and reinforcement learning, the loss function is defined by an expectation over a collection of random variables, which might be part of a probabilistic model or the external…

机器学习 · 计算机科学 2016-01-06 John Schulman , Nicolas Heess , Theophane Weber , Pieter Abbeel

Analyzing neural network dynamics via stochastic gradient descent (SGD) is crucial to building theoretical foundations for deep learning. Previous work has analyzed structured inputs within the \textit{hidden manifold model}, often under…

机器学习 · 统计学 2025-12-01 Jaeyong Bae , Hawoong Jeong

Multiple Kernel Learning is a conventional way to learn the kernel function in kernel-based methods. MKL algorithms enhance the performance of kernel methods. However, these methods have a lower complexity compared to deep learning models…

机器学习 · 计算机科学 2023-05-05 Ahmad Navid Ghanizadeh , Kamaledin Ghiasi-Shirazi , Reza Monsefi , Mohammadreza Qaraei

Graph Neural Networks (GNNs) have attracted considerable attention and have emerged as a new promising paradigm to process graph-structured data. GNNs are usually stacked to multiple layers and the node representations in each layer are…

机器学习 · 计算机科学 2020-09-25 Yihao Chen , Xin Tang , Xianbiao Qi , Chun-Guang Li , Rong Xiao