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The Hessian of a neural network captures parameter interactions through second-order derivatives of the loss. It is a fundamental object of study, closely tied to various problems in deep learning, including model design, optimization, and…

Machine Learning · Computer Science 2021-07-02 Sidak Pal Singh , Gregor Bachmann , Thomas Hofmann

This paper studies generalization capabilities of neural networks (NNs) using new and improved PyTorch library Loss Landscape Analysis (LLA). LLA facilitates visualization and analysis of loss landscapes along with the properties of NN…

Machine Learning · Computer Science 2025-02-06 Nikita Gabdullin

Loss landscape analysis is extremely useful for a deeper understanding of the generalization ability of deep neural network models. In this work, we propose a layerwise loss landscape analysis where the loss surface at every layer is…

Machine Learning · Computer Science 2020-12-09 Adepu Ravi Sankar , Yash Khasbage , Rahul Vigneswaran , Vineeth N Balasubramanian

To understand the dynamics of optimization in deep neural networks, we develop a tool to study the evolution of the entire Hessian spectrum throughout the optimization process. Using this, we study a number of hypotheses concerning…

Machine Learning · Computer Science 2019-01-30 Behrooz Ghorbani , Shankar Krishnan , Ying Xiao

Hessian captures important properties of the deep neural network loss landscape. Previous works have observed low rank structure in the Hessians of neural networks. In this paper, we propose a decoupling conjecture that decomposes the…

Machine Learning · Computer Science 2022-10-24 Yikai Wu , Xingyu Zhu , Chenwei Wu , Annie Wang , Rong Ge

The Hessian of neural networks can be decomposed into a sum of two matrices: (i) the positive semidefinite generalized Gauss-Newton matrix G, and (ii) the matrix H containing negative eigenvalues. We observe that for wider networks,…

Machine Learning · Computer Science 2020-01-15 Etai Littwin , Lior Wolf

The proper initialization of weights is crucial for the effective training and fast convergence of deep neural networks (DNNs). Prior work in this area has mostly focused on balancing the variance among weights per layer to maintain…

Machine Learning · Computer Science 2020-06-05 Maciej Skorski , Alessandro Temperoni , Martin Theobald

Deep neural network ensembles are powerful tools for uncertainty quantification, which have recently been re-interpreted from a Bayesian perspective. However, current methods inadequately leverage second-order information of the loss…

Machine Learning · Statistics 2024-11-05 Klemens Flöge , Mohammed Abdul Moeed , Vincent Fortuin

Large batch size training of Neural Networks has been shown to incur accuracy loss when trained with the current methods. The exact underlying reasons for this are still not completely understood. Here, we study large batch size training…

Computer Vision and Pattern Recognition · Computer Science 2021-04-21 Zhewei Yao , Amir Gholami , Qi Lei , Kurt Keutzer , Michael W. Mahoney

It is widely observed that deep learning models with learned parameters generalize well, even with much more model parameters than the number of training samples. We systematically investigate the underlying reasons why deep neural networks…

Machine Learning · Computer Science 2017-11-29 Lei Wu , Zhanxing Zhu , Weinan E

We study Bayesian hypernetworks: a framework for approximate Bayesian inference in neural networks. A Bayesian hypernetwork $\h$ is a neural network which learns to transform a simple noise distribution, $p(\vec\epsilon) = \N(\vec 0,\mat…

Machine Learning · Statistics 2018-04-26 David Krueger , Chin-Wei Huang , Riashat Islam , Ryan Turner , Alexandre Lacoste , Aaron Courville

Modern neural networks are undeniably successful. Numerous studies have investigated how the curvature of loss landscapes can affect the quality of solutions. In this work we consider the Hessian matrix during network training. We reiterate…

Machine Learning · Computer Science 2023-05-31 Lawrence Wang , Stephen J. Roberts

Traditional analyses of gradient descent optimization show that, when the largest eigenvalue of the loss Hessian - often referred to as the sharpness - is below a critical learning-rate threshold, then training is 'stable' and training loss…

Machine Learning · Computer Science 2024-12-24 Lawrence Wang , Stephen J. Roberts

It is important to understand how the popular regularization method dropout helps the neural network training find a good generalization solution. In this work, we show that the training with dropout finds the neural network with a flatter…

Machine Learning · Computer Science 2022-05-24 Zhongwang Zhang , Hanxu Zhou , Zhi-Qin John Xu

Second-order methods for neural network optimization have several advantages over methods based on first-order gradient descent, including better scaling to large mini-batch sizes and fewer updates needed for convergence. But they are…

Machine Learning · Computer Science 2017-12-21 Huishuai Zhang , Caiming Xiong , James Bradbury , Richard Socher

Large scale optimization problems are ubiquitous in machine learning and data analysis and there is a plethora of algorithms for solving such problems. Many of these algorithms employ sub-sampling, as a way to either speed up the…

Optimization and Control · Mathematics 2016-02-29 Farbod Roosta-Khorasani , Michael W. Mahoney

We introduce a methodology for analyzing neural networks through the lens of layer-wise Hessian matrices. The local Hessian of each functional block (layer) is defined as the matrix of second derivatives of a scalar function with respect to…

Machine Learning · Computer Science 2025-11-11 Maxim Bolshim , Alexander Kugaevskikh

While Convolutional Neural Networks (CNNs) have long been investigated and applied, as well as theorized, we aim to provide a slightly different perspective into their nature -- through the perspective of their Hessian maps. The reason is…

Machine Learning · Computer Science 2023-05-17 Sidak Pal Singh , Thomas Hofmann , Bernhard Schölkopf

The key distinguishing property of a Bayesian approach is marginalization, rather than using a single setting of weights. Bayesian marginalization can particularly improve the accuracy and calibration of modern deep neural networks, which…

Machine Learning · Computer Science 2022-03-31 Andrew Gordon Wilson , Pavel Izmailov

Second-order information, in the form of Hessian- or Inverse-Hessian-vector products, is a fundamental tool for solving optimization problems. Recently, there has been significant interest in utilizing this information in the context of…

Machine Learning · Computer Science 2020-11-26 Sidak Pal Singh , Dan Alistarh
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