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Register a new userHypersolvers: Toward Fast Continuous-Depth Models
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Added by
Stefano Massaroli
Publication date
2020
fields
Informatics Engineering
and research's language is
English
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The infinite-depth paradigm pioneered by Neural ODEs has launched a renaissance in the search for novel dynamical system-inspired deep learning primitives; however, their utilization in problems of non-trivial size has often proved impossible due to poor computational scalability. This work paves the way for scalable Neural ODEs with time-to-prediction comparable to traditional discrete networks. We introduce hypersolvers, neural networks designed to solve ODEs with low overhead and theoretical guarantees on accuracy. The synergistic combination of hypersolvers and Neural ODEs allows for cheap inference and unlocks a new frontier for practical application of continuous-depth models. Experimental evaluations on standard benchmarks, such as sampling for continuous normalizing flows, reveal consistent pareto efficiency over classical numerical methods.
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Continuous-depth neural models, where the derivative of the models hidden state is defined by a neural network, have enabled strong sequential data processing capabilities. However, these models rely on advanced numerical differential equation (DE) solvers resulting in a significant overhead both in terms of computational cost and model complexity. In this paper, we present a new family of models, termed Closed-form Continuous-depth (CfC) networks, that are simple to describe and at least one order of magnitude faster while exhibiting equally strong modeling abilities compared to their ODE-based counterparts. The models are hereby derived from the analytical closed-form solution of an expressive subset of time-continuous models, thus alleviating the need for complex DE solvers all together. In our experimental evaluations, we demonstrate that CfC networks outperform advanced, recurrent models over a diverse set of time-series prediction tasks, including those with long-term dependencies and irregularly sampled data. We believe our findings open new opportunities to train and deploy rich, continuous neural models in resource-constrained settings, which demand both performance and efficiency.
Continuous deep learning architectures enable learning of flexible probabilistic models for predictive modeling as neural ordinary differential equations (ODEs), and for generative modeling as continuous normalizing flows. In this work, we design a framework to decipher the internal dynamics of these continuous depth models by pruning their network architectures. Our empirical results suggest that pruning improves generalization for neural ODEs in generative modeling. Moreover, pruning finds minimal and efficient neural ODE representations with up to 98% less parameters compared to the original network, without loss of accuracy. Finally, we show that by applying pruning we can obtain insightful information about the design of better neural ODEs.We hope our results will invigorate further research into the performance-size trade-offs of modern continuous-depth models.
Kernel methods are a highly effective and widely used collection of modern machine learning algorithms. A fundamental limitation of virtually all such methods are computations involving the kernel matrix that naively scale quadratically (e.g., constructing the kernel matrix and matrix-vector multiplication) or cubically (solving linear systems) with the size of the data set $N.$ We propose the Fast Kernel Transform (FKT), a general algorithm to compute matrix-vector multiplications (MVMs) for datasets in moderate dimensions with quasilinear complexity. Typically, analytically grounded fast multiplication methods require specialized development for specific kernels. In contrast, our scheme is based on auto-differentiation and automated symbolic computations that leverage the analytical structure of the underlying kernel. This allows the FKT to be easily applied to a broad class of kernels, including Gaussian, Matern, and Rational Quadratic covariance functions and physically motivated Greens functions, including those of the Laplace and Helmholtz equations. Furthermore, the FKT maintains a high, quantifiable, and controllable level of accuracy -- properties that many acceleration methods lack. We illustrate the efficacy and versatility of the FKT by providing timing and accuracy benchmarks and by applying it to scale the stochastic neighborhood embedding (t-SNE) and Gaussian processes to large real-world data sets.
We introduce a new stochastic verification algorithm that formally quantifies the behavioral robustness of any time-continuous process formulated as a continuous-depth model. The algorithm solves a set of global optimization (Go) problems over a given time horizon to construct a tight enclosure (Tube) of the set of all process executions starting from a ball of initial states. We call our algorithm GoTube. Through its construction, GoTube ensures that the bounding tube is conservative up to a desired probability. GoTube is implemented in JAX and optimized to scale to complex continuous-depth models. Compared to advanced reachability analysis tools for time-continuous neural networks, GoTube provably does not accumulate over-approximation errors between time steps and avoids the infamous wrapping effect inherent in symbolic techniques. We show that GoTube substantially outperforms state-of-the-art verification tools in terms of the size of the initial ball, speed, time-horizon, task completion, and scalability, on a large set of experiments. GoTube is stable and sets the state-of-the-art for its ability to scale up to time horizons well beyond what has been possible before.
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.
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