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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

Many important problems are characterized by the eigenvalues of a large matrix. For example, the difficulty of many optimization problems, such as those arising from the fitting of large models in statistics and machine learning, can be…

The eigenvalue distribution of the Hessian matrix plays a crucial role in understanding the optimization landscape of deep neural networks. Prior work has attributed the well-documented ``bulk-and-spike'' spectral structure, where a few…

Machine Learning · Computer Science 2026-05-26 Shenyang Deng , Boyao Liao , Zhuoli Ouyang , Tianyu Pang , Yaoqing Yang

We study the properties of common loss surfaces through their Hessian matrix. In particular, in the context of deep learning, we empirically show that the spectrum of the Hessian is composed of two parts: (1) the bulk centered near zero,…

Machine Learning · Computer Science 2018-05-08 Levent Sagun , Utku Evci , V. Ugur Guney , Yann Dauphin , Leon Bottou

The vibrational behavior of molecules serves as a crucial fingerprint of their structure, chemical state, and surrounding environment. Neutron vibrational spectroscopy provides comprehensive measurements of vibrational modes without…

Chemical Physics · Physics 2025-02-19 Bowen Han , Pei Zhang , Kshitij Mehta , Massimiliano Lupo Pasini , Mingda Li , Yongqiang Cheng

Near an optimal learning point of a neural network, the learning performance of gradient descent dynamics is dictated by the Hessian matrix of the loss function with respect to the network parameters. We characterize the Hessian…

Machine Learning · Statistics 2025-12-18 Carlos Couto , José Mourão , Mário A. T. Figueiredo , Pedro Ribeiro

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

This paper proposes several novel optimization algorithms for minimizing a nonlinear objective function. The algorithms are enlightened by the optimal state trajectory of an optimal control problem closely related to the minimized objective…

Optimization and Control · Mathematics 2025-04-01 Hongxia Wang , Yeming Xu , Ziyuan Guo , Huanshui Zhang

High-throughput data analyses are becoming common in biology, communications, economics and sociology. The vast amounts of data are usually represented in the form of matrices and can be considered as knowledge networks. Spectra-based…

Quantitative Methods · Quantitative Biology 2010-01-06 Viet-Anh Nguyen , Zdena Koukolikova-Nicola , Franco Bagnoli , Pietro Lio

Nonlinear eigenvalue problems for pairs of homogeneous convex functions are particular nonlinear constrained optimization problems that arise in a variety of settings, including graph mining, machine learning, and network science. By…

Optimization and Control · Mathematics 2022-09-15 Francesco Tudisco , Dong Zhang

Sparse non-Hermitian random matrices arise in the study of disordered physical systems with asymmetric local interactions, and have applications ranging from neural networks to ecosystem dynamics. The spectral characteristics of these…

Statistical Mechanics · Physics 2024-02-21 Fernando Lucas Metz , Izaak Neri , Tim Rogers

Hessians of neural network (NN) contain essential information about the curvature of NN loss landscapes which can be used to estimate NN generalization capabilities. We have previously proposed generalization criteria that rely on the…

Machine Learning · Computer Science 2025-04-25 Nikita Gabdullin

For many inverse parameter problems for partial differential equations in which the domain contains only well-separated objects, an asymptotic solution to the forward problem involving 'polarization tensors' exists. These are functions of…

Numerical Analysis · Mathematics 2024-10-30 F. M. Watson , M. G. Crabb , W. R. B. Lionheart

We develop regularization methods to find flat minima while training deep neural networks. These minima generalize better than sharp minima, yielding models outperforming baselines on real-world test data (which may be distributed…

Machine Learning · Computer Science 2025-07-04 Adam Sandler , Diego Klabjan , Yuan Luo

The Hessian spectrum of trained deep networks exhibits a characteristic structure: a continuous bulk of near-zero eigenvalues and a small number of large outlier eigenvalues (spikes), confirming the relevance of Random Matrix Theory in deep…

Machine Learning · Computer Science 2026-05-19 Hugo Vigna , Samuel Bontemps

Nonlinear hyperspectral unmixing has recently received considerable attention, as linear mixture models do not lead to an acceptable resolution in some problems. In fact, most nonlinear unmixing methods are designed by assuming specific…

Image and Video Processing · Electrical Eng. & Systems 2024-02-07 Saeid Mehrdad , Seyed AmirHossein Janani

The remarkable generalization performance of large-scale models has been challenging the conventional wisdom of the statistical learning theory. Although recent theoretical studies have shed light on this behavior in linear models and…

Machine Learning · Statistics 2024-06-18 Tomoya Wakayama

We show that the input correlation matrix of typical classification datasets has an eigenspectrum where, after a sharp initial drop, a large number of small eigenvalues are distributed uniformly over an exponentially large range. This…

Machine Learning · Computer Science 2022-06-23 Rubing Yang , Jialin Mao , Pratik Chaudhari

Neural networks (NNs) are central to modern machine learning and achieve state-of-the-art results in many applications. However, the relationship between loss geometry and generalization is still not well understood. The local geometry of…

Machine Learning · Computer Science 2026-04-15 Yuto Omae , Kazuki Sakai , Yohei Kakimoto , Makoto Sasaki , Yusuke Sakai , Hirotaka Takahashi

Finding eigenvalue distributions for a number of sparse random matrix ensembles can be reduced to solving nonlinear integral equations of the Hammerstein type. While a systematic mathematical theory of such equations exists, it has not been…

Disordered Systems and Neural Networks · Physics 2025-01-24 Pawat Akara-pipattana , Oleg Evnin
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