Analysis of the Geometric Structure of Neural Networks and Neural ODEs via Morse Functions (2405.09351v2)

Abstract: Besides classical feed-forward neural networks, also neural ordinary differential equations (neural ODEs) have gained particular interest in recent years. Neural ODEs can be interpreted as an infinite depth limit of feed-forward or residual neural networks. We study the input-output dynamics of finite and infinite depth neural networks with scalar output. In the finite depth case, the input is a state associated with a finite number of nodes, which maps under multiple non-linear transformations to the state of one output node. In analogy, a neural ODE maps an affine linear transformation of the input to an affine linear transformation of its time-$T$ map. We show that depending on the specific structure of the network, the input-output map has different properties regarding the existence and regularity of critical points, which can be characterized via Morse functions. We prove that critical points cannot exist if the dimension of the hidden layer is monotonically decreasing or the dimension of the phase space is smaller or equal to the input dimension. In the case that critical points exist, we classify their regularity depending on the specific architecture of the network. We show that except for a Lebesgue measure zero set in the weight space, each critical point is non-degenerate, if for finite depth neural networks the underlying graph has no bottleneck, and if for neural ODEs, the affine linear transformations used have full rank. For each type of architecture, the proven properties are comparable in the finite and the infinite depth case. The established theorems allow us to formulate results on universal embedding, i.e., on the exact representation of maps by neural networks and neural ODEs. Our dynamical systems viewpoint on the geometric structure of the input-output map provides a fundamental understanding of why certain architectures perform better than others.