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1. Multiwavelet-based operator learning for differential equations

   Gaurav Gupta, Xiongye Xiao ( December 2021 , Advances in neural information processing systems)

   The solution of a partial differential equation can be obtained by computing the inverse operator map between the input and the solution space. Towards this end, we introduce a multiwavelet-based neural operator learning scheme that compresses the associated operator's kernel using fine-grained wavelets. By explicitly embedding the inverse multiwavelet filters, we learn the projection of the kernel onto fixed multiwavelet polynomial bases. The projected kernel is trained at multiple scales derived from using repeated computation of multiwavelet transform. This allows learning the complex dependencies at various scales and results in a resolution-independent scheme. Compare to the prior works, we exploit the fundamental properties of the operator's kernel which enable numerically efficient representation. We perform experiments on the Korteweg-de Vries (KdV) equation, Burgers' equation, Darcy Flow, and Navier-Stokes equation. Compared with the existing neural operator approaches, our model shows significantly higher accuracy and achieves state-of-the-art in a range of datasets. For the time-varying equations, the proposed method exhibits a (2X−10X) improvement (0.0018 (0.0033) relative L2 error for Burgers' (KdV) equation). By learning the mappings between function spaces, the proposed method has the ability to find the solution of a high-resolution input after learning from lower-resolution data. 

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2. Choose a Transformer: Fourier or Galerkin

   Cao, Shuhao ( December 2021 , Advances in neural information processing systems)

   In this paper, we apply the self-attention from the state-of-the-art Transformer in Attention Is All You Need for the first time to a data-driven operator learning problem related to partial differential equations. An effort is put together to explain the heuristics of, and to improve the efficacy of the attention mechanism. By employing the operator approximation theory in Hilbert spaces, it is demonstrated for the first time that the softmax normalization in the scaled dot-product attention is sufficient but not necessary. Without softmax, the approximation capacity of a linearized Transformer variant can be proved to be comparable to a Petrov-Galerkin projection layer-wise, and the estimate is independent with respect to the sequence length. A new layer normalization scheme mimicking the Petrov-Galerkin projection is proposed to allow a scaling to propagate through attention layers, which helps the model achieve remarkable accuracy in operator learning tasks with unnormalized data. Finally, we present three operator learning experiments, including the viscid Burgers' equation, an interface Darcy flow, and an inverse interface coefficient identification problem. The newly proposed simple attention-based operator learner, Galerkin Transformer, shows significant improvements in both training cost and evaluation accuracy over its softmax-normalized counterparts. 

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3. NON-LINEAR OPERATOR APPROXIMATIONS FOR INITIAL VALUE PROBLEMS

   Gupta, Gaurav ; Xiao, Xiongye ; Balan, Radu ; Bogdan, Paul ( April 2022 , International Conference on Learning Representations (ICLR))

   Time-evolution of partial differential equations is fundamental for modeling several complex dynamical processes and events forecasting, but the operators associated with such problems are non-linear. We propose a Pad´e approximation based exponential neural operator scheme for efficiently learning the map between a given initial condition and the activities at a later time. The multiwavelets bases are used for space discretization. By explicitly embedding the exponential operators in the model, we reduce the training parameters and make it more data-efficient which is essential in dealing with scarce and noisy real-world datasets. The Pad´e exponential operator uses a recurrent structure with shared parameters to model the non-linearity compared to recent neural operators that rely on using multiple linear operator layers in succession. We show theoretically that the gradients associated with the recurrent Pad´e network are bounded across the recurrent horizon. We perform experiments on non-linear systems such as Korteweg-de Vries (KdV) and Kuramoto–Sivashinsky (KS) equations to show that the proposed approach achieves the best performance and at the same time is data-efficient. We also show that urgent real-world problems like epidemic forecasting (for example, COVID- 19) can be formulated as a 2D time-varying operator problem. The proposed Pad´e exponential operators yield better prediction results (53% (52%) better MAE than best neural operator (non-neural operator deep learning model)) compared to state-of-the-art forecasting models. 

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4. Non-Linear Operator Approximations for Initial Value Problems

   Gupta, Gaurav and ( May 2022 , International Conference on Learning Representations)

   Time-evolution of partial differential equations is the key to model several dynamical processes, events forecasting but the operators associated with such problems are non-linear. We propose a Padé approximation based exponential neural operator scheme for efficiently learning the map between a given initial condition and activities at a later time. The multiwavelets bases are used for space discretization. By explicitly embedding the exponential operators in the model, we reduce the training parameters and make it more data-efficient which is essential in dealing with scarce real-world datasets. The Padé exponential operator uses a to model the non-linearity compared to recent neural operators that rely on using multiple linear operator layers in succession. We show theoretically that the gradients associated with the recurrent Padé network are bounded across the recurrent horizon. We perform experiments on non-linear systems such as Korteweg-de Vries (KdV) and Kuramoto–Sivashinsky (KS) equations to show that the proposed approach achieves the best performance and at the same time is data-efficient. We also show that urgent real-world problems like Epidemic forecasting (for example, COVID-19) can be formulated as a 2D time-varying operator problem. The proposed Padé exponential operators yield better prediction results ( better MAE than best neural operator (non-neural operator deep learning model)) compared to state-of-the-art forecasting models. 

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5. NON-LINEAR OPERATOR APPROXIMATIONS FOR INITIAL VALUE PROBLEMS

   Gupta, G. ; Xiao, X. ; Balan, R. ; Bogdan, P. ( January 2022 , International Conference of Learning Representations (ICLR))

   Time-evolution of partial differential equations is fundamental for modeling several complex dynamical processes and events forecasting, but the operators associated with such problems are non-linear. We propose a Pad´e approximation based exponential neural operator scheme for efficiently learning the map between a given initial condition and the activities at a later time. The multiwavelets bases are used for space discretization. By explicitly embedding the exponential operators in the model, we reduce the training parameters and make it more data-efficient which is essential in dealing with scarce and noisy real-world datasets. The Pad´e exponential operator uses a recurrent structure with shared parameters to model the non-linearity compared to recent neural operators that rely on using multiple linear operator layers in succession. We show theoretically that the gradients associated with the recurrent Pad´e network are bounded across the recurrent horizon. We perform experiments on non-linear systems such as Korteweg-de Vries (KdV) and Kuramoto–Sivashinsky (KS) equations to show that the proposed approach achieves the best performance and at the same time is data-efficient. We also show that urgent real-world problems like epidemic forecasting (for example, COVID- 19) can be formulated as a 2D time-varying operator problem. The proposed Pad´e exponential operators yield better prediction results (53% (52%) better MAE than best neural operator (non-neural operator deep learning model)) compared to state-of-the-art forecasting models. 

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