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Properties of interest for crystals and molecules, such as band gap, elasticity, and solubility, are generally related to each other: they are governed by the same underlying laws of physics. However, when state-of-the-art graph neural…

Machine Learning · Computer Science 2022-08-04 Alexander New , Michael J. Pekala , Nam Q. Le , Janna Domenico , Christine D. Piatko , Christopher D. Stiles

The energy landscape of multiverse cosmology is often modeled by a multi-dimensional random Gaussian potential. The physical predictions of such models crucially depend on the eigenvalue distribution of the Hessian matrix at potential…

High Energy Physics - Theory · Physics 2018-04-04 Masaki Yamada , Alexander Vilenkin

Adaptive optimization methods are well known to achieve superior convergence relative to vanilla gradient methods. The traditional viewpoint in optimization, particularly in convex optimization, explains this improved performance by arguing…

Machine Learning · Computer Science 2022-11-07 Kaiqi Jiang , Dhruv Malik , Yuanzhi Li

We study the optimization landscape of deep linear neural networks with the square loss. It is known that, under weak assumptions, there are no spurious local minima and no local maxima. However, the existence and diversity of non-strict…

Statistics Theory · Mathematics 2024-09-26 El Mehdi Achour , François Malgouyres , Sébastien Gerchinovitz

In this work, we study the evolution of the loss Hessian across many classification tasks in order to understand the effect the curvature of the loss has on the training dynamics. Whereas prior work has focused on how different learning…

The fitness landscape metaphor plays a central role on the modeling of optimizing principles in many research fields, ranging from evolutionary biology, where it was first introduced, to management research. Here we consider the ensemble of…

Populations and Evolution · Quantitative Biology 2019-01-30 Paulo R. A. Campos , José F. Fontanari

A central challenge to many fields of science and engineering involves minimizing non-convex error functions over continuous, high dimensional spaces. Gradient descent or quasi-Newton methods are almost ubiquitously used to perform such…

Machine Learning · Computer Science 2014-05-29 Razvan Pascanu , Yann N. Dauphin , Surya Ganguli , Yoshua Bengio

Understanding the optimization dynamics of neural networks is necessary for closing the gap between theory and practice. Stochastic first-order optimization algorithms are known to efficiently locate favorable minima in deep neural…

Machine Learning · Computer Science 2023-06-22 Charles Guille-Escuret , Hiroki Naganuma , Kilian Fatras , Ioannis Mitliagkas

Second-order methods are emerging as promising alternatives to standard first-order optimizers such as gradient descent and ADAM for training neural networks. Though the advantages of including curvature information in computing…

Machine Learning · Computer Science 2025-10-15 Conor Rowan

Current research in Computer Vision has shown that Convolutional Neural Networks (CNN) give state-of-the-art performance in many classification tasks and Computer Vision problems. The embedding of CNN, which is the internal representation…

Computer Vision and Pattern Recognition · Computer Science 2015-08-04 Axel Angel

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

Neural network training relies on our ability to find "good" minimizers of highly non-convex loss functions. It is well-known that certain network architecture designs (e.g., skip connections) produce loss functions that train easier, and…

Machine Learning · Computer Science 2018-11-08 Hao Li , Zheng Xu , Gavin Taylor , Christoph Studer , Tom Goldstein

In gradient descent dynamics of neural networks, the top eigenvalue of the loss Hessian (sharpness) displays a variety of robust phenomena throughout training. This includes early time regimes where the sharpness may decrease during early…

Machine Learning · Computer Science 2025-02-17 Dayal Singh Kalra , Tianyu He , Maissam Barkeshli

Neural network training is commonly based on SGD. However, the understanding of SGD's ability to converge to good local minima, given the non-convex nature of loss functions and the intricate geometric characteristics of loss landscapes,…

Interesting data often concentrate on low dimensional smooth manifolds inside a high dimensional ambient space. Random projections are a simple, powerful tool for dimensionality reduction of such data. Previous works have studied bounds on…

Machine Learning · Statistics 2016-09-13 Subhaneil Lahiri , Peiran Gao , Surya Ganguli

We analyze stochastic gradient descent for optimizing non-convex functions. In many cases for non-convex functions the goal is to find a reasonable local minimum, and the main concern is that gradient updates are trapped in saddle points.…

Machine Learning · Computer Science 2015-03-10 Rong Ge , Furong Huang , Chi Jin , Yang Yuan

Advancing loss function design is pivotal for optimizing neural network training and performance. This work introduces Random Linear Projections (RLP) loss, a novel approach that enhances training efficiency by leveraging geometric…

Machine Learning · Computer Science 2024-06-03 Shyam Venkatasubramanian , Ahmed Aloui , Vahid Tarokh

Deep neural networks have been demonstrated to achieve phenomenal success in many domains, and yet their inner mechanisms are not well understood. In this paper, we investigate the curvature of image manifolds, i.e., the manifold deviation…

Machine Learning · Computer Science 2023-11-17 Ilya Kaufman , Omri Azencot

We consider the problem of engineering robust direct perception neural networks with output being regression. Such networks take high dimensional input image data, and they produce affordances such as the curvature of the upcoming road…

Machine Learning · Computer Science 2019-10-01 Chih-Hong Cheng

The increasing complexity of deep learning architectures is resulting in training time requiring weeks or even months. This slow training is due in part to vanishing gradients, in which the gradients used by back-propagation are extremely…

Computer Vision and Pattern Recognition · Computer Science 2015-10-16 Bharat Singh , Soham De , Yangmuzi Zhang , Thomas Goldstein , Gavin Taylor