On the Principles of Deep Feedforward ReLU Networks

We prove a depth hierarchy for ReLU neural networks in which every additional ReLU layer can save exponentially many neurons. For all $k\geq2$, we construct a globally $[0,1]$-valued, $1$-Lipschitz function realized by a depth-$(k+1)$ network of width $\mathcal{O}(d^4)$, whereas any depth-$k$ network with unrestricted weights and width at most $\frac{2^d}{2d(k-1)}$ has squared $L_2$ error at least $1/24$ under an absolutely continuous distribution supported at exponential distance from the origin. To the best of our knowledge, this is the first exponential hierarchy across all adjacent fixed depths, and the first exponential separation for ReLU networks between two fixed depths whose shallower network has depth at least $3$. The lower bound also immediately yields the corresponding hierarchy for exact computation. Moreover, the case $k=2$ gives a compactly supported separation between depths $3$ and $2$ with unrestricted shallow-network weights, answering a question raised by Safran, Eldan, and Shamir (2019). The distribution used in our construction nevertheless has all its mass at exponential radius, placing the hierarchy outside the regularity regime in which such a separation would imply major threshold-circuit lower bounds. We also prove an exact separation for a more regular target, which is globally $[0,1]$-valued and $\mathcal{O}(\sqrt d)$-Lipschitz and maps the unit hypercube onto $[0,1]$. It is computed by a polynomial-width depth-$4$ network, whereas any depth-$3$ network agreeing with it on the unit hypercube requires exponentially many first-layer neurons, even with unrestricted weights.

Two deep ReLU networks can have entirely different architectures and parameters, yet realize the same function. We provide a complete characterization of this nonuniqueness. This is effected by building a symbolic calculus for deep ReLU networks, equivalence and simplification of networks becoming derivation of formulae, in close parallel to Shannon's analysis of switching circuits through Boolean logic. Inspired by Shannon, who turned circuit synthesis into the manipulation of Boolean formulae by the axioms of Boolean algebra, we turn ReLU network identification into the derivation of Łukasiewicz formulae by the axioms of many-valued (MV) logic. Two non-degenerate ReLU networks realize the same function on the unit cube if and only if one is obtained from the other by finitely many applications of the MV axioms for integer weights and biases, the divisible MV axioms for rational ones, and the Riesz MV axioms for real ones. The MV logic axioms characterize all symmetries of ReLU networks, the single-layer ones, which for tanh networks are the only kind, and the deep ones, spanning three or more layers. Our framework consists of three steps, an extraction algorithm turning a network into a substitution graph, whose represented formula has the network's input-output map as its truth function, a completeness theorem, by which functionally equivalent formulae are interderivable, and a construction algorithm returning from graphs to networks. The substitution graph is layered, carrying at each node a formula in the variables of the layer feeding it, encodes the network uniquely, and induces a new normal form for MV logic, compositional rather than flat as in the literature, hence retaining the algebraic structure of the network, with three local operations--node rewrite, layer collapse, layer expansion--realizing every derivation.

This paper aims to understand the training solution, which is obtained by the back-propagation algorithm, of two-layer neural networks whose hidden layer is composed of the units with smooth activation functions, including the usual sigmoid type most commonly used before the advent of ReLUs. The mechanism contains four main principles: construction of Taylor series expansions, strict partial order of knots, smooth-spline implementation and smooth-continuity restriction. The universal approximation for arbitrary input dimensionality is proved and the explanation of training solutions is given. Through the principles proposed, the mystery of ``black box'' of the solution space is largely revealed. The new proofs employed also enrich approximation theory.