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Register a new userContinuous-in-Depth Neural Networks
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Added by
N. Benjamin Erichson
Publication date
2020
fields
Informatics Engineering
and research's language is
English
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Recent work has attempted to interpret residual networks (ResNets) as one step of a forward Euler discretization of an ordinary differential equation, focusing mainly on syntactic algebraic similarities between the two systems. Discrete dynamical integrators of continuous dynamical systems, however, have a much richer structure. We first show that ResNets fail to be meaningful dynamical integrators in this richer sense. We then demonstrate that neural network models can learn to represent continuous dynamical systems, with this richer structure and properties, by embedding them into higher-order numerical integration schemes, such as the Runge Kutta schemes. Based on these insights, we introduce ContinuousNet as a continuous-in-depth generalization of ResNet architectures. ContinuousNets exhibit an invariance to the particular computational graph manifestation. That is, the continuous-in-depth model can be evaluated with different discrete time step sizes, which changes the number of layers, and different numerical integration schemes, which changes the graph connectivity. We show that this can be used to develop an incremental-in-depth training scheme that improves model quality, while significantly decreasing training time. We also show that, once trained, the number of units in the computational graph can even be decreased, for faster inference with little-to-no accuracy drop.
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We introduce the framework of continuous-depth graph neural networks (GNNs). Neural graph differential equations (Neural GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of GNN layers, blending discrete topological structures and differential equations. The proposed framework is shown to be compatible with static GNN models and is extended to dynamic and stochastic settings through hybrid dynamical system theory. Here, Neural GDEs improve performance by exploiting the underlying dynamics geometry, further introducing the ability to accommodate irregularly sampled data. Results prove the effectiveness of the proposed models across applications, such as traffic forecasting or prediction in genetic regulatory networks.
We consider the training process of a neural network as a dynamical system acting on the high-dimensional weight space. Each epoch is an application of the map induced by the optimization algorithm and the loss function. Using this induced map, we can apply observables on the weight space and measure their evolution. The evolution of the observables are given by the Koopman operator associated with the induced dynamical system. We use the spectrum and modes of the Koopman operator to realize the above objectives. Our methods can help to, a priori, determine the network depth; determine if we have a bad initialization of the network weights, allowing a restart before training too long; speeding up the training time. Additionally, our methods help enable noise rejection and improve robustness. We show how the Koopman spectrum can be used to determine the number of layers required for the architecture. Additionally, we show how we can elucidate the convergence versus non-convergence of the training process by monitoring the spectrum, in particular, how the existence of eigenvalues clustering around 1 determines when to terminate the learning process. We also show how using Koopman modes we can selectively prune the network to speed up the training procedure. Finally, we show that incorporating loss functions based on negative Sobolev norms can allow for the reconstruction of a multi-scale signal polluted by very large amounts of noise.
When studying the expressive power of neural networks, a main challenge is to understand how the size and depth of the network affect its ability to approximate real functions. However, not all functions are interesting from a practical viewpoint: functions of interest usually have a polynomially-bounded Lipschitz constant, and can be computed efficiently. We call functions that satisfy these conditions benign, and explore the benefits of size and depth for approximation of benign functions with ReLU networks. As we show, this problem is more challenging than the corresponding problem for non-benign functions. We give barriers to showing depth-lower-bounds: Proving existence of a benign function that cannot be approximated by polynomial-size networks of depth $4$ would settle longstanding open problems in computational complexity. It implies that beyond depth $4$ there is a barrier to showing depth-separation for benign functions, even between networks of constant depth and networks of nonconstant depth. We also study size-separation, namely, whether there are benign functions that can be approximated with networks of size $O(s(d))$, but not with networks of size $O(s(d))$. We show a complexity-theoretic barrier to proving such results beyond size $O(dlog^2(d))$, but also show an explicit benign function, that can be approximated with networks of size $O(d)$ and not with networks of size $o(d/log d)$. For approximation in $L_infty$ we achieve such separation already between size $O(d)$ and size $o(d)$. Moreover, we show superpolynomial size lower bounds and barriers to such lower bounds, depending on the assumptions on the function. Our size-separation results rely on an analysis of size lower bounds for Boolean functions, which is of independent interest: We show linear size lower bounds for computing explicit Boolean functions with neural networks and threshold circuits.
Several recent works have shown separation results between deep neural networks, and hypothesis classes with inferior approximation capacity such as shallow networks or kernel classes. On the other hand, the fact that deep networks can efficiently express a target function does not mean that this target function can be learned efficiently by deep neural networks. In this work we study the intricate connection between learnability and approximation capacity. We show that learnability with deep networks of a target function depends on the ability of simpler classes to approximate the target. Specifically, we show that a necessary condition for a function to be learnable by gradient descent on deep neural networks is to be able to approximate the function, at least in a weak sense, with shallow neural networks. We also show that a class of functions can be learned by an efficient statistical query algorithm if and only if it can be approximated in a weak sense by some kernel class. We give several examples of functions which demonstrate depth separation, and conclude that they cannot be efficiently learned, even by a hypothesis class that can efficiently approximate them.
This paper builds on the connection between graph neural networks and traditional dynamical systems. We propose continuous graph neural networks (CGNN), which generalise existing graph neural networks with discrete dynamics in that they can be viewed as a specific discretisation scheme. The key idea is how to characterise the continuous dynamics of node representations, i.e. the derivatives of node representations, w.r.t. time. Inspired by existing diffusion-based methods on graphs (e.g. PageRank and epidemic models on social networks), we define the derivatives as a combination of the current node representations, the representations of neighbors, and the initial values of the nodes. We propose and analyse two possible dynamics on graphs---including each dimension of node representations (a.k.a. the feature channel) change independently or interact with each other---both with theoretical justification. The proposed continuous graph neural networks are robust to over-smoothing and hence allow us to build deeper networks, which in turn are able to capture the long-range dependencies between nodes. Experimental results on the task of node classification demonstrate the effectiveness of our proposed approach over competitive baselines.
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