Song Jian

Zhongkai Hao, Zhengyi Wang, Hang Su et al. · tsinghua

Learning partial differential equations' (PDEs) solution operators is an essential problem in machine learning. However, there are several challenges for learning operators in practical applications like the irregular mesh, multiple input functions, and complexity of the PDEs' solution. To address these challenges, we propose a general neural operator transformer (GNOT), a scalable and effective transformer-based framework for learning operators. By designing a novel heterogeneous normalized attention layer, our model is highly flexible to handle multiple input functions and irregular meshes. Besides, we introduce a geometric gating mechanism which could be viewed as a soft domain decomposition to solve the multi-scale problems. The large model capacity of the transformer architecture grants our model the possibility to scale to large datasets and practical problems. We conduct extensive experiments on multiple challenging datasets from different domains and achieve a remarkable improvement compared with alternative methods. Our code and data are publicly available at \url{https://github.com/thu-ml/GNOT}.

Zhongkai Hao, Chengyang Ying, Hang Su et al. · tsinghua

Deep learning based approaches like Physics-informed neural networks (PINNs) and DeepONets have shown promise on solving PDE constrained optimization (PDECO) problems. However, existing methods are insufficient to handle those PDE constraints that have a complicated or nonlinear dependency on optimization targets. In this paper, we present a novel bi-level optimization framework to resolve the challenge by decoupling the optimization of the targets and constraints. For the inner loop optimization, we adopt PINNs to solve the PDE constraints only. For the outer loop, we design a novel method by using Broyden's method based on the Implicit Function Theorem (IFT), which is efficient and accurate for approximating hypergradients. We further present theoretical explanations and error analysis of the hypergradients computation. Extensive experiments on multiple large-scale and nonlinear PDE constrained optimization problems demonstrate that our method achieves state-of-the-art results compared with strong baselines.

Yang Xu, Fatemeh Pourahmadian, Jian Song et al.

This study takes advantage of recent advances in machine learning to establish a physics-based data analytic platform for distributed reconstruction of mechanical properties in layered components from full waveform data. In this vein, two logics, namely the direct inversion and physics-informed neural networks (PINNs), are explored. The direct inversion entails three steps: (i) spectral denoising and differentiation of the full-field data, (ii) building appropriate neural maps to approximate the profile of unknown physical and regularization parameters on their respective domains, and (iii) simultaneous training of the neural networks by minimizing the Tikhonov-regularized PDE loss using data from (i). PINNs furnish efficient surrogate models of complex systems with predictive capabilities via multitask learning where the field variables are modeled by neural maps endowed with (scaler or distributed) auxiliary parameters such as physical unknowns and loss function weights. PINNs are then trained by minimizing a measure of data misfit subject to the underlying physical laws as constraints. In this study, to facilitate learning from ultrasonic data, the PINNs loss adopts (a) wavenumber-dependent Sobolev norms to compute the data misfit, and (b) non-adaptive weights in a specific scaling framework to naturally balance the loss objectives by leveraging the form of PDEs germane to elastic-wave propagation. Both paradigms are examined via synthetic and laboratory test data. In the latter case, the reconstructions are performed at multiple frequencies and the results are verified by a set of complementary experiments highlighting the importance of verification and validation in data-driven modeling.