Wolkowicz-Styan Upper Bound on the Hessian Eigenspectrum for Cross-Entropy Loss in Nonlinear Smooth Neural Networks

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 the loss function near a critical point is well-approximated by its quadratic form, obtained through a second-order Taylor expansion. The coefficients of the quadratic term correspond to the Hessian matrix, whose eigenspectrum allows us to evaluate the sharpness of the loss at the critical point. Extensive research suggests flat critical points generalize better, while sharp ones lead to higher generalization error. However, sharpness requires the Hessian eigenspectrum, but general matrix characteristic equations have no closed-form solution. Therefore, most existing studies on evaluating loss sharpness rely on numerical approximation methods. Existing closed-form analyses of the eigenspectrum are primarily limited to simplified architectures, such as linear or ReLU-activated networks; consequently, theoretical analysis of smooth nonlinear multilayer neural networks remains limited. Against this background, this study focuses on nonlinear, smooth multilayer neural networks and derives a closed-form upper bound for the maximum eigenvalue of the Hessian with respect to the cross-entropy loss by leveraging the Wolkowicz-Styan bound. Specifically, the derived upper bound is expressed as a function of the affine transformation parameters, hidden layer dimensions, and the degree of orthogonality among the training samples. The primary contribution of this paper is an analytical characterization of loss sharpness in smooth nonlinear multilayer neural networks via a closed-form expression, avoiding explicit numerical eigenspectrum computation. We hope that this work provides a small yet meaningful step toward unraveling the mysteries of deep learning.

Multi-rules mining algorithm for combinatorially exploded decision trees with modified Aitchison-Aitken function-based Bayesian optimization

Decision trees offer the benefit of easy interpretation because they allow the classification of input data based on if--then rules. However, as decision trees are constructed by an algorithm that achieves clear classification with minimum necessary rules, the trees possess the drawback of extracting only minimum rules, even when various latent rules exist in data. Approaches that construct multiple trees using randomly selected feature subsets do exist. However, the number of trees that can be constructed remains at the same scale because the number of feature subsets is a combinatorial explosion. Additionally, when multiple trees are constructed, numerous rules are generated, of which several are untrustworthy and/or highly similar. Therefore, we propose "MAABO-MT" and "GS-MRM" algorithms that strategically construct trees with high estimation performance among all possible trees with small computational complexity and extract only reliable and non-similar rules, respectively. Experiments are conducted using several open datasets to analyze the effectiveness of the proposed method. The results confirm that MAABO-MT can discover reliable rules at a lower computational cost than other methods that rely on randomness. Furthermore, the proposed method is confirmed to provide deeper insights than single decision trees commonly used in previous studies. Therefore, MAABO-MT and GS-MRM can efficiently extract rules from combinatorially exploded decision trees.