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Recent years have witnessed the promise of coupling machine learning methods and physical domain-specific insights for solving scientific problems based on partial differential equations (PDEs). However, being data-intensive, these methods…

Machine Learning · Computer Science 2025-06-03 Wuyang Chen , Jialin Song , Pu Ren , Shashank Subramanian , Dmitriy Morozov , Michael W. Mahoney

Physics-informed neural networks (PINNs) [31] use automatic differentiation to solve partial differential equations (PDEs) by penalizing the PDE in the loss function at a random set of points in the domain of interest. Here, we develop a…

Neural and Evolutionary Computing · Computer Science 2019-12-03 E. Kharazmi , Z. Zhang , G. E. Karniadakis

Scientific machine learning has been successfully applied to inverse problems and PDE discovery in computational physics. One caveat concerning current methods is the need for large amounts of ("clean") data, in order to characterize the…

Numerical Analysis · Mathematics 2021-11-30 Christophe Bonneville , Christopher J. Earls

Multiphysics simulation is critical for system-technology co-optimization (STCO) in chiplet-based design, but repeated finite-element solutions of PDE-governed problems are computationally expensive in parametric design exploration. This…

Machine Learning · Computer Science 2026-05-05 Xinyu Li , Jianhua Zhang , Liang Chen

This paper introduces the Descriptive Variational Autoencoder (DVAE), an unsupervised and end-to-end trainable neural network for predicting vehicle trajectories that provides partial interpretability. The novel approach is based on the…

Machine Learning · Computer Science 2021-06-25 Marion Neumeier , Andreas Tollkühn , Thomas Berberich , Michael Botsch

Efficient real-time solvers for forward and inverse problems are essential in engineering and science applications. Machine learning surrogate models have emerged as promising alternatives to traditional methods, offering substantially…

Machine Learning · Computer Science 2026-05-04 Hai V. Nguyen , Tan Bui-Thanh , Clint Dawson

Solving high-frequency oscillatory partial differential equations (PDEs) is a critical challenge in scientific computing, with applications in fluid mechanics, quantum mechanics, and electromagnetic wave propagation. Traditional…

Machine Learning · Computer Science 2025-08-04 Xiong Xiong , Zhuo Zhang , Rongchun Hu , Chen Gao , Zichen Deng

In numerous applications, surrogate models are used as a replacement for accurate parameter-to-observable mappings when solving large-scale inverse problems governed by partial differential equations (PDEs). The surrogate model may be a…

Optimization and Control · Mathematics 2025-12-08 Ruanui Nicholson , Radoslav Vuchkov , Umberto Villa , Noemi Petra

Partial Differential Equations (PDEs) are used to model a variety of dynamical systems in science and engineering. Recent advances in deep learning have enabled us to solve them in a higher dimension by addressing the curse of…

Variational Autoencoders (VAEs), as a form of deep generative model, have been widely used in recent years, and shown great great peformance in a number of different domains, including image generation and anomaly detection, etc.. This…

Machine Learning · Computer Science 2024-08-28 Liang Cheng , Peiyuan Guan , Amir Taherkordi , Lei Liu , Dapeng Lan

Partial differential equations (PDEs) are fundamental to modeling complex and nonlinear physical phenomena, but their numerical solution often requires significant computational resources, particularly when a large number of forward full…

Computational Physics · Physics 2025-07-08 Qibang Liu , Seid Koric

Transformer models are increasingly used for solving Partial Differential Equations (PDEs). Several adaptations have been proposed, all of which suffer from the typical problems of Transformers, such as quadratic memory and time complexity.…

Machine Learning · Computer Science 2024-07-16 Jan Hagnberger , Marimuthu Kalimuthu , Daniel Musekamp , Mathias Niepert

During the design process of an autonomous underwater vehicle (AUV), the pressure vessel has a critical role. The pressure vessel contains dry electronics, power sources, and other sensors that can not be flooded. A traditional design…

Machine Learning · Computer Science 2022-07-12 Harsh Vardhan , Janos Sztipanovits

In this work, we describe a novel approach to building a neural PDE solver leveraging recent advances in transformer based neural network architectures. Our model can provide solutions for different values of PDE parameters without any need…

Machine Learning · Computer Science 2024-07-10 Varun Madhavan , Amal S Sebastian , Bharath Ramsundar , Venkatasubramanian Viswanathan

We propose an algorithm, guided variational autoencoder (Guided-VAE), that is able to learn a controllable generative model by performing latent representation disentanglement learning. The learning objective is achieved by providing…

Computer Vision and Pattern Recognition · Computer Science 2020-04-06 Zheng Ding , Yifan Xu , Weijian Xu , Gaurav Parmar , Yang Yang , Max Welling , Zhuowen Tu

Partial Differential Equations (PDE) are fundamental to model different phenomena in science and engineering mathematically. Solving them is a crucial step towards a precise knowledge of the behaviour of natural and engineered systems. In…

We present approximation theories and efficient training methods for derivative-informed Fourier neural operators (DIFNOs) with applications to PDE-constrained optimization. A DIFNO is an FNO trained by minimizing its prediction error…

Machine Learning · Computer Science 2026-03-17 Boyuan Yao , Dingcheng Luo , Lianghao Cao , Nikola Kovachki , Thomas O'Leary-Roseberry , Omar Ghattas

Deep neural networks (DNN) have been used to model nonlinear relations between physical quantities. Those DNNs are embedded in physical systems described by partial differential equations (PDE) and trained by minimizing a loss function that…

Numerical Analysis · Mathematics 2020-02-26 Kailai Xu , Eric Darve

Neural networks have been applied to control problems, typically by combining data, differential equation residuals, and objective costs in the training loss or by incorporating auxiliary architectural components. Instead, we propose a…

Optimization and Control · Mathematics 2026-04-10 Oliver G. S. Lundqvist , Fabricio Oliveira

Deep operator network (DeepONet) has shown significant promise as surrogate models for systems governed by partial differential equations (PDEs), enabling accurate mappings between infinite-dimensional function spaces. However, when applied…

Machine Learning · Computer Science 2025-10-29 Sharmila Karumuri , Lori Graham-Brady , Somdatta Goswami