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Register a new userFinite Difference Neural Networks: Fast Prediction of Partial Differential Equations
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Discovering the underlying behavior of complex systems is an important topic in many science and engineering disciplines. In this paper, we propose a novel neural network framework, finite difference neural networks (FDNet), to learn partial differential equations from data. Specifically, our proposed finite difference inspired network is designed to learn the underlying governing partial differential equations from trajectory data, and to iteratively estimate the future dynamical behavior using only a few trainable parameters. We illustrate the performance (predictive power) of our framework on the heat equation, with and without noise and/or forcing, and compare our results to the Forward Euler method. Moreover, we show the advantages of using a Hessian-Free Trust Region method to train the network.
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In this work we systematically analyze general properties of differential equations used as machine learning models. We demonstrate that the gradient of the loss function with respect to to the hidden state can be considered as a generalized momentum conjugate to the hidden state, allowing application of the tools of classical mechanics. In addition, we show that not only residual networks, but also feedforward neural networks with small nonlinearities and the weights matrices deviating only slightly from identity matrices can be related to the differential equations. We propose a differential equation describing such networks and investigate its properties.
We perform scalable approximate inference in a continuous-depth Bayesian neural network family. In this model class, uncertainty about separate weights in each layer gives hidden units that follow a stochastic differential equation. We demonstrate gradient-based stochastic variational inference in this infinite-parameter setting, producing arbitrarily-flexible approximate posteriors. We also derive a novel gradient estimator that approaches zero variance as the approximate posterior over weights approaches the true posterior. This approach brings continuous-depth Bayesian neural nets to a competitive comparison against discrete-depth alternatives, while inheriting the memory-efficient training and tunable precision of Neural ODEs.
Combinations of neural ODEs with recurrent neural networks (RNN), like GRU-ODE-Bayes or ODE-RNN are well suited to model irregularly observed time series. While those models outperform existing discrete-time approaches, no theoretical guarantees for their predictive capabilities are available. Assuming that the irregularly-sampled time series data originates from a continuous stochastic process, the $L^2$-optimal online prediction is the conditional expectation given the currently available information. We introduce the Neural Jump ODE (NJ-ODE) that provides a data-driven approach to learn, continuously in time, the conditional expectation of a stochastic process. Our approach models the conditional expectation between two observations with a neural ODE and jumps whenever a new observation is made. We define a novel training framework, which allows us to prove theoretical guarantees for the first time. In particular, we show that the output of our model converges to the $L^2$-optimal prediction. This can be interpreted as solution to a special filtering problem. We provide experiments showing that the theoretical results also hold empirically. Moreover, we experimentally show that our model outperforms the baselines in more complex learning tasks and give comparisons on real-world datasets.
The problem of solving partial differential equations (PDEs) can be formulated into a least-squares minimization problem, where neural networks are used to parametrize PDE solutions. A global minimizer corresponds to a neural network that solves the given PDE. In this paper, we show that the gradient descent method can identify a global minimizer of the least-squares optimization for solving second-order linear PDEs with two-layer neural networks under the assumption of over-parametrization. We also analyze the generalization error of the least-squares optimization for second-order linear PDEs and two-layer neural networks, when the right-hand-side function of the PDE is in a Barron-type space and the least-squares optimization is regularized with a Barron-type norm, without the over-parametrization assumption.
We provide a general framework for studying recurrent neural networks (RNNs) trained by injecting noise into hidden states. Specifically, we consider RNNs that can be viewed as discretizations of stochastic differential equations driven by input data. This framework allows us to study the implicit regularization effect of general noise injection schemes by deriving an approximate explicit regularizer in the small noise regime. We find that, under reasonable assumptions, this implicit regularization promotes flatter minima; it biases towards models with more stable dynamics; and, in classification tasks, it favors models with larger classification margin. Sufficient conditions for global stability are obtained, highlighting the phenomenon of stochastic stabilization, where noise injection can improve stability during training. Our theory is supported by empirical results which demonstrate improved robustness with respect to various input perturbations, while maintaining state-of-the-art performance.
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