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Neural operators have emerged as promising surrogate models for solving partial differential equations (PDEs), but struggle to generalise beyond training distributions and are often constrained to a fixed temporal discretisation. This work…

In the realm of computational fluid dynamics, traditional numerical methods, which heavily rely on discretization, typically necessitate the formulation of partial differential equations (PDEs) in conservative form to accurately capture…

Proteins play essential roles in nature, from catalyzing biochemical reactions to binding specific targets. Advances in protein engineering have the potential to revolutionize biotechnology and healthcare by designing proteins with tailored…

Biomolecules · Quantitative Biology 2025-05-05 Hocheol Lim , Geon-Ho Lee , Kyoung Tai No

Stochastic partial differential equations (SPDEs) are ubiquitous in engineering and computational sciences. The stochasticity arises as a consequence of uncertainty in input parameters, constitutive relations, initial/boundary conditions,…

Data Analysis, Statistics and Probability · Physics 2020-01-29 Sharmila Karumuri , Rohit Tripathy , Ilias Bilionis , Jitesh Panchal

We are concerned with the arithmetic of solutions to ordinary or partial nonlinear differential equations which are algebraic in the indeterminates and their derivatives. We call these solutions D-algebraic functions, and their equations…

Symbolic Computation · Computer Science 2024-06-18 Bertrand Teguia Tabuguia

Identifying unknown differential equations from a given set of discrete time dependent data is a challenging problem. A small amount of noise can make the recovery unstable, and nonlinearity and differential equations with varying…

Numerical Analysis · Mathematics 2019-04-09 Sung Ha Kang , Wenjing Liao , Yingjie Liu

Delay Differential Equations (DDEs) are a class of differential equations that can model diverse scientific phenomena. However, identifying the parameters, especially the time delay, that make a DDE's predictions match experimental results…

Machine Learning · Computer Science 2024-05-16 Robert Stephany

Partial differential equations (PDEs) are widely used across the physical and computational sciences. Decades of research and engineering went into designing fast iterative solution methods. Existing solvers are general purpose, but may be…

Numerical Analysis · Mathematics 2024-09-23 Jun-Ting Hsieh , Shengjia Zhao , Stephan Eismann , Lucia Mirabella , Stefano Ermon

Numerical solutions of partial differential equations (PDEs) require expensive simulations, limiting their application in design optimization, model-based control, and large-scale inverse problems. Surrogate modeling techniques seek to…

Computational Physics · Physics 2022-05-18 James Duvall , Karthik Duraisamy , Shaowu Pan

We develop in this paper a multi-grade deep learning method for solving nonlinear partial differential equations (PDEs). Deep neural networks (DNNs) have received super performance in solving PDEs in addition to their outstanding success in…

Numerical Analysis · Mathematics 2023-09-15 Yuesheng Xu , Taishan Zeng

We introduce a general framework for solving partial differential equations (PDEs) using generative diffusion models. In particular, we focus on the scenarios where we do not have the full knowledge of the scene necessary to apply classical…

Machine Learning · Computer Science 2024-11-04 Jiahe Huang , Guandao Yang , Zichen Wang , Jeong Joon Park

Physics-informed neural networks (PINNs) provide a deep learning framework for numerically solving partial differential equations (PDEs), and have been widely used in a variety of PDE problems. However, there still remain some challenges in…

Machine Learning · Computer Science 2022-05-19 Wensheng Li , Chao Zhang , Chuncheng Wang , Hanting Guan , Dacheng Tao

Solving high-dimensional partial differential equations (PDEs) is a major challenge in scientific computing. We develop a new numerical method for solving elliptic-type PDEs by adapting the Q-learning algorithm in reinforcement learning.…

Numerical Analysis · Mathematics 2023-06-27 Samuel N. Cohen , Deqing Jiang , Justin Sirignano

Protein structure prediction can be shown to be an NP-hard problem; the number of conformations grows exponentially with the number of residues. The native conformations of proteins occupy a very small subset of these, hence an exploratory,…

Chemical Physics · Physics 2008-02-03 Mehul M. Khimasia , Peter V. Coveney

Digital communication systems inherently operate through physical media governed by partial differential equations (PDEs). In this paper, we introduce a physics-aware decoding framework that integrates gradient descent-based error…

Information Theory · Computer Science 2025-01-28 Tadashi Wadayama , Koji Igarashi , Takumi Takahashi

Recent years have witnessed a growth in mathematics for deep learning--which seeks a deeper understanding of the concepts of deep learning with mathematics and explores how to make it more robust--and deep learning for mathematics, where…

Machine Learning · Computer Science 2023-10-31 Derick Nganyu Tanyu , Jianfeng Ning , Tom Freudenberg , Nick Heilenkötter , Andreas Rademacher , Uwe Iben , Peter Maass

Diffusion models have recently emerged as powerful stochastic frameworks for high-dimensional inference and generation. However, existing applications to partial differential equations (PDEs) predominantly rely on physics-informed training…

Numerical Analysis · Mathematics 2026-04-03 Yi Bing , Liu Jia , Fu Jinyang , Peng Xiang

Making predictions and quantifying their uncertainty when the input data is sequential is a fundamental learning challenge, recently attracting increasing attention. We develop SigGPDE, a new scalable sparse variational inference framework…

Machine Learning · Statistics 2021-10-13 Maud Lemercier , Cristopher Salvi , Thomas Cass , Edwin V. Bonilla , Theodoros Damoulas , Terry Lyons

It has been shown that the existence of a Partial Integral Equation (PIE) representation of a Partial Differential Equation (PDE) simplifies many numerical aspects of analysis, simulation, and optimal control. However, the PIE…

Optimization and Control · Mathematics 2024-03-14 Sachin Shivakumar , Amritam Das , Siep Weiland , Matthew Peet

Symbolic regression is the process of identifying mathematical expressions that fit observed output from a black-box process. It is a discrete optimization problem generally believed to be NP-hard. Prior approaches to solving the problem…

Neural and Evolutionary Computing · Computer Science 2021-11-19 T. Nathan Mundhenk , Mikel Landajuela , Ruben Glatt , Claudio P. Santiago , Daniel M. Faissol , Brenden K. Petersen
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