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Neural networks with the Rectified Linear Unit (ReLU) nonlinearity are described by a vector of parameters $\theta$, and realized as a piecewise linear continuous function $R_{\theta}: x \in \mathbb R^{d} \mapsto R_{\theta}(x) \in \mathbb R^{k}$. Natural scalings and permutations operations on the parameters $\theta$ leave the realization unchanged, leading to equivalence classes of parameters that yield the same realization. These considerations in turn lead to the notion of identifiability -- the ability to recover (the equivalence class of) $\theta$ from the sole knowledge of its realization $R_{\theta}$. The overall objective of this paper is to introduce an embedding for ReLU neural networks of any depth, $\Phi(\theta)$, that is invariant to scalings and that provides a locally linear parameterization of the realization of the network. Leveraging these two key properties, we derive some conditions under which a deep ReLU network is indeed locally identifiable from the knowledge of the realization on a finite set of samples $x_{i} \in \mathbb R^{d}$. We study the shallow case in more depth, establishing necessary and sufficient conditions for the network to be identifiable from a bounded subset $\mathcal X \subseteq \mathbb R^{d}$.

Hamilton and Moitra (2021) showed that, in certain regimes, it is not possible to accelerate Riemannian gradient descent in the hyperbolic plane if we restrict ourselves to algorithms which make queries in a (large) bounded domain and which receive gradients and function values corrupted by a (small) amount of noise. We show that acceleration remains unachievable for any deterministic algorithm which receives exact gradient and function-value information (unbounded queries, no noise). Our results hold for the classes of strongly and nonstrongly geodesically convex functions, and for a large class of Hadamard manifolds including hyperbolic spaces and the symmetric space $\mathrm{SL}(n) / \mathrm{SO}(n)$ of positive definite $n \times n$ matrices of determinant one. This cements a surprising gap between the complexity of convex optimization and geodesically convex optimization: for hyperbolic spaces, Riemannian gradient descent is optimal on the class of smooth and and strongly geodesically convex functions, in the regime where the condition number scales with the radius of the optimization domain. The key idea for proving the lower bound consists of perturbing the hard functions of Hamilton and Moitra (2021) with sums of bump functions chosen by a resisting oracle.

In the graphical calculus of planar string diagrams, equality is generated by exchange moves, which swap the heights of adjacent vertices. We show that left- and right-handed exchanges each give strongly normalizing rewrite strategies for connected string diagrams. We use this result to give a linear-time solution to the equivalence problem in the connected case, and a quadratic solution in the general case. We also give a stronger proof of the Joyal-Street coherence theorem, settling Selinger's conjecture on recumbent isotopy.

We study the dynamics of a neural network in function space when optimizing the mean squared error via gradient flow. We show that in the underparameterized regime the network learns eigenfunctions of an integral operator $T_{K^\infty}$ determined by the Neural Tangent Kernel (NTK) at rates corresponding to their eigenvalues. For example, for uniformly distributed data on the sphere $S^{d - 1}$ and rotation invariant weight distributions, the eigenfunctions of $T_{K^\infty}$ are the spherical harmonics. Our results can be understood as describing a spectral bias in the underparameterized regime. The proofs use the concept of "Damped Deviations", where deviations of the NTK matter less for eigendirections with large eigenvalues due to the occurence of a damping factor. Aside from the underparameterized regime, the damped deviations point-of-view can be used to track the dynamics of the empirical risk in the overparameterized setting, allowing us to extend certain results in the literature. We conclude that damped deviations offers a simple and unifying perspective of the dynamics when optimizing the squared error.

In addition to being extremely non-linear, modern problems require millions if not billions of parameters to solve or at least to get a good approximation of the solution, and neural networks are known to assimilate that complexity by deepening and widening their topology in order to increase the level of non-linearity needed for a better approximation. However, compact topologies are always preferred to deeper ones as they offer the advantage of using less computational units and less parameters. This compacity comes at the price of reduced non-linearity and thus, of limited solution search space. We propose the 1-Dimensional Polynomial Neural Network (1DPNN) model that uses automatic polynomial kernel estimation for 1-Dimensional Convolutional Neural Networks (1DCNNs) and that introduces a high degree of non-linearity from the first layer which can compensate the need for deep and/or wide topologies. We show that this non-linearity enables the model to yield better results with less computational and spatial complexity than a regular 1DCNN on various classification and regression problems related to audio signals, even though it introduces more computational and spatial complexity on a neuronal level. The experiments were conducted on three publicly available datasets and demonstrate that, on the problems that were tackled, the proposed model can extract more relevant information from the data than a 1DCNN in less time and with less memory.

The training of deep residual neural networks (ResNets) with backpropagation has a memory cost that increases linearly with respect to the depth of the network. A way to circumvent this issue is to use reversible architectures. In this paper, we propose to change the forward rule of a ResNet by adding a momentum term. The resulting networks, momentum residual neural networks (Momentum ResNets), are invertible. Unlike previous invertible architectures, they can be used as a drop-in replacement for any existing ResNet block. We show that Momentum ResNets can be interpreted in the infinitesimal step size regime as second-order ordinary differential equations (ODEs) and exactly characterize how adding momentum progressively increases the representation capabilities of Momentum ResNets. Our analysis reveals that Momentum ResNets can learn any linear mapping up to a multiplicative factor, while ResNets cannot. In a learning to optimize setting, where convergence to a fixed point is required, we show theoretically and empirically that our method succeeds while existing invertible architectures fail. We show on CIFAR and ImageNet that Momentum ResNets have the same accuracy as ResNets, while having a much smaller memory footprint, and show that pre-trained Momentum ResNets are promising for fine-tuning models.

We propose the Gaussian Error Linear Unit (GELU), a high-performing neural network activation function. The GELU nonlinearity is the expected transformation of a stochastic regularizer which randomly applies the identity or zero map to a neuron's input. The GELU nonlinearity weights inputs by their magnitude, rather than gates inputs by their sign as in ReLUs. We perform an empirical evaluation of the GELU nonlinearity against the ReLU and ELU activations and find performance improvements across all considered computer vision, natural language processing, and speech tasks.

Graph Neural Networks (GNNs) for representation learning of graphs broadly follow a neighborhood aggregation framework, where the representation vector of a node is computed by recursively aggregating and transforming feature vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs in capturing different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.

Implicit probabilistic models are models defined naturally in terms of a sampling procedure and often induces a likelihood function that cannot be expressed explicitly. We develop a simple method for estimating parameters in implicit models that does not require knowledge of the form of the likelihood function or any derived quantities, but can be shown to be equivalent to maximizing likelihood under some conditions. Our result holds in the non-asymptotic parametric setting, where both the capacity of the model and the number of data examples are finite. We also demonstrate encouraging experimental results.

This paper addresses the problem of formally verifying desirable properties of neural networks, i.e., obtaining provable guarantees that neural networks satisfy specifications relating their inputs and outputs (robustness to bounded norm adversarial perturbations, for example). Most previous work on this topic was limited in its applicability by the size of the network, network architecture and the complexity of properties to be verified. In contrast, our framework applies to a general class of activation functions and specifications on neural network inputs and outputs. We formulate verification as an optimization problem (seeking to find the largest violation of the specification) and solve a Lagrangian relaxation of the optimization problem to obtain an upper bound on the worst case violation of the specification being verified. Our approach is anytime i.e. it can be stopped at any time and a valid bound on the maximum violation can be obtained. We develop specialized verification algorithms with provable tightness guarantees under special assumptions and demonstrate the practical significance of our general verification approach on a variety of verification tasks.