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Don't Be So Positive: Negative Step Sizes in Second-Order Methods (2411.11224v2)

Published 18 Nov 2024 in cs.LG, math.OC, and stat.ML

Abstract: The value of second-order methods lies in the use of curvature information. Yet, this information is costly to extract and once obtained, valuable negative curvature information is often discarded so that the method is globally convergent. This limits the effectiveness of second-order methods in modern machine learning. In this paper, we show that second-order and second-order-like methods are promising optimizers for neural networks provided that we add one ingredient: negative step sizes. We show that under very general conditions, methods that produce ascent directions are globally convergent when combined with a Wolfe line search that allows both positive and negative step sizes. We experimentally demonstrate that using negative step sizes is often more effective than common Hessian modification methods.

Summary

  • The paper introduces negative step sizes in second-order methods that incorporate ascent directions to leverage valuable curvature information.
  • It demonstrates that a modified Wolfe line search can ensure global convergence even in non-convex neural network loss landscapes.
  • Empirical results show that the enhanced SR1 method converges faster than traditional optimizers, offering a computational alternative to Hessian modification techniques.

Analyzing the Role of Negative Step Sizes in Second-Order Methods

This paper tackles an often-overlooked component in optimization, especially when applied to neural network training: the use of negative step sizes in second-order and quasi-second-order methods. The authors argue that traditional approaches to leverage curvature information, such as Newton's method and quasi-Newton (QN) methods like BFGS and SR1, often discard valuable negative curvature information due to their focus on descending paths.

Overview and Contributions

The primary contribution of this paper is the introduction of negative step sizes into second-order methods, which traditionally focus solely on positive or zero-valued step sizes to ensure convergence. The authors propose that leveraging both ascent and descent directions, coupled with a Wolfe line search adapted to allow negative steps, can achieve global convergence despite the non-convex nature of neural network loss landscapes.

Theoretical Foundations

The paper establishes the theoretical justification for the convergence of methods incorporating negative step sizes. The authors extend existing proofs that guarantee convergence for line searches constrained to descend directions to encompass ascent directions, under the condition that the search direction is not orthogonal to the gradient. They assert that this relaxed condition allows for improved utility of the second-order information by maintaining valuable negative curvature data, potentially accelerating convergence in ill-conditioned, non-convex scenarios.

Experimental Validation

The empirical studies conducted further bolster the theoretical findings. By implementing a quasi-Newton method (specifically, symmetric rank one or SR1) with an amended Wolfe line search to accommodate negative step sizes, the authors demonstrate faster training convergence in neural networks with deeper architectures as compared to conventional optimizers such as gradient descent (GD) and Adam. They point out that while standard SR1 often diverges due to ascent directions, the augmented approach with negative step sizes circumvents this limitation effectively.

In comparison to Hessian modification methods like damping, which require computationally expensive eigenvalue decompositions to maintain positive definiteness, using negative step sizes is shown to be a computationally less expensive alternative that retains curvature fidelity. The experiments reveal that this approach is competitive with and, in some cases, outperforms contemporary optimizers.

Implications and Future Directions

The introduction of negative step sizes in second-order optimization highlights a pathway to harnessing portions of the curvature landscape that are traditionally overlooked. This novel perspective opens several research avenues, especially in optimizing the training process of deep learning models which are typified by non-convex loss landscapes with numerous saddle points. Future studies could expand on this work by exploring optimal strategies for selecting negative step sizes or integrating this idea with advanced learning rate schedules to further improve convergence rates. Moreover, understanding the interaction between negative step sizes and network architecture-specific characteristics could yield valuable insights into designing more efficient training regimens.

In summation, the paper makes a credible argument for reconsidering the role of ascent paths in optimization, providing both a solid theoretical foundation and empirical evidence that indicates substantial improvements in convergence for critical machine learning tasks.

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