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Differential equations parameterized by neural networks become expensive to solve numerically as training progresses. We propose a remedy that encourages learned dynamics to be easier to solve. Specifically, we introduce a differentiable surrogate for the time cost of standard numerical solvers, using higher-order derivatives of solution trajectories. These derivatives are efficient to compute with Taylor-mode automatic differentiation. Optimizing this additional objective trades model performance against the time cost of solving the learned dynamics. We demonstrate our approach by training substantially faster, while nearly as accurate, models in supervised classification, density estimation, and time-series modelling tasks.
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Solutions to differential equations are of significant scientific and engineering relevance. Recently, there has been a growing interest in solving differential equations with neural networks. This work develops a novel method for solving differential equations with unsupervised neural networks that applies Generative Adversarial Networks (GANs) to emph{learn the loss function} for optimizing the neural network. We present empirical results showing that our method, which we call Differential Equation GAN (DEQGAN), can obtain multiple orders of magnitude lower mean squared errors than an alternative unsupervised neural network method based on (squared) $L_2$, $L_1$, and Huber loss functions. Moreover, we show that DEQGAN achieves solution accuracy that is competitive with traditional numerical methods. Finally, we analyze the stability of our approach and find it to be sensitive to the selection of hyperparameters, which we provide in the appendix. Code available at https://github.com/dylanrandle/denn. Please address any electronic correspondence to [email protected].
We propose a physical analogy between finding the solution of an ordinary differential equation (ODE) and a $N$ particle problem in statistical mechanics. It uses the fact that the solution of an ODE is equivalent to obtain the minimum of a functional. Then, we link these two notions, proposing this functional to be the interaction potential energy or thermodynamic potential of an equivalent particle problem. Therefore, solving this statistical mechanics problem amounts to solve the ODE. If only one solution exists, our method provides the unique solution of the ODE. In case we treat an eigenvalue equation, where infinite solutions exist, we obtain the absolute minimum of the corresponding functional or fundamental mode. As a result, it is possible to establish a general relationship between statistical mechanics and ODEs which allows not only to solve them from a physical perspective but also to obtain all relevant thermodynamical equilibrium variables of that particle system related to the differential equation.
We develop a framework for estimating unknown partial differential equations from noisy data, using a deep learning approach. Given noisy samples of a solution to an unknown PDE, our method interpolates the samples using a neural network, and extracts the PDE by equating derivatives of the neural network approximation. Our method applies to PDEs which are linear combinations of user-defined dictionary functions, and generalizes previous methods that only consider parabolic PDEs. We introduce a regularization scheme that prevents the function approximation from overfitting the data and forces it to be a solution of the underlying PDE. We validate the model on simulated data generated by the known PDEs and added Gaussian noise, and we study our method under different levels of noise. We also compare the error of our method with a Cramer-Rao lower bound for an ordinary differential equation. Our results indicate that our method outperforms other methods in estimating PDEs, especially in the low signal-to-noise regime.
This paper introduces neuroevolution for solving differential equations. The solution is obtained through optimizing a deep neural network whose loss function is defined by the residual terms from the differential equations. Recent studies have focused on learning such physics-informed neural networks through stochastic gradient descent (SGD) variants, yet they face the difficulty of obtaining an accurate solution due to optimization challenges. In the context of solving differential equations, we are faced with the problem of finding globally optimum parameters of the network, instead of being concerned with out-of-sample generalization. SGD, which searches along a single gradient direction, is prone to become trapped in local optima, so it may not be the best approach here. In contrast, neuroevolution carries out a parallel exploration of diverse solutions with the goal of circumventing local optima. It could potentially find more accurate solutions with better optimized neural networks. However, neuroevolution can be slow, raising tractability issues in practice. With that in mind, a novel and computationally efficient transfer neuroevolution algorithm is proposed in this paper. Our method is capable of exploiting relevant experiential priors when solving a new problem, with adaptation to protect against the risk of negative transfer. The algorithm is applied on a variety of differential equations to empirically demonstrate that transfer neuroevolution can indeed achieve better accuracy and faster convergence than SGD. The experimental outcomes thus establish transfer neuroevolution as a noteworthy approach for solving differential equations, one that has never been studied in the past. Our work expands the resource of available algorithms for optimizing physics-informed neural networks.
DiffEqFlux.jl is a library for fusing neural networks and differential equations. In this work we describe differential equations from the viewpoint of data science and discuss the complementary nature between machine learning models and differential equations. We demonstrate the ability to incorporate DifferentialEquations.jl-defined differential equation problems into a Flux-defined neural network, and vice versa. The advantages of being able to use the entire DifferentialEquations.jl suite for this purpose is demonstrated by counter examples where simple integration strategies fail, but the sophisticated integration strategies provided by the DifferentialEquations.jl library succeed. This is followed by a demonstration of delay differential equations and stochastic differential equations inside of neural networks. We show high-level functionality for defining neural ordinary differential equations (neural networks embedded into the differential equation) and describe the extra models in the Flux model zoo which includes neural stochastic differential equations. We conclude by discussing the various adjoint methods used for backpropogation of the differential equation solvers. DiffEqFlux.jl is an important contribution to the area, as it allows the full weight of the differential equation solvers developed from decades of research in the scientific computing field to be readily applied to the challenges posed by machine learning and data science.
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