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Predicting the effect of amino acid mutations on enzyme thermodynamic stability (DDG) is fundamental to protein engineering and drug design. While recent deep learning approaches have shown promise, they often process sequence and structure…

Machine Learning · Computer Science 2025-11-10 Abigail Lin

High-resolution reconstruction of flow-field data from low-resolution and noisy measurements is of interest due to the prevalence of such problems in experimental fluid mechanics, where the measurement data are in general sparse, incomplete…

Fluid Dynamics · Physics 2024-02-23 Hamidreza Eivazi , Yuning Wang , Ricardo Vinuesa

Graph-based representations for samples of computational mechanics-related datasets can prove instrumental when dealing with problems like irregular domains or molecular structures of materials, etc. To effectively analyze and process such…

Machine Learning · Computer Science 2024-12-13 Isha Jain , Shailesh Garg , Shaurya Shriyam , Souvik Chakraborty

Active researches are currently being performed to incorporate the wealth of scientific knowledge into data-driven approaches (e.g., neural networks) in order to improve the latter's effectiveness. In this study, the Theory-guided Neural…

Machine Learning · Computer Science 2020-03-03 Nanzhe Wang , Dongxiao Zhang , Haibin Chang , Heng Li

A physics-informed neural network (PINN), which has been recently proposed by Raissi et al [J. Comp. Phys. 378, pp. 686-707 (2019)], is applied to the partial differential equation (PDE) of liquid film flows. The PDE considered is the time…

Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which…

Computational Physics · Physics 2025-04-07 Mario Lino , Tobias Pfaff , Nils Thuerey

Although Finite Element Analysis (FEA) is an integral part of the product design lifecycle, the analysis is computationally expensive, making it unsuitable for many design optimization problems. The deep learning models can be a great…

Machine Learning · Computer Science 2025-10-20 Nayan Kumar Singh

Modeling self-gravitating gas flows is essential to answering many fundamental questions in astrophysics. This spans many topics including planet-forming disks, star-forming clouds, galaxy formation, and the development of large-scale…

Machine Learning · Computer Science 2023-08-17 Sayantan Auddy , Ramit Dey , Neal J. Turner , Shantanu Basu

Physics-informed neural networks (PINNs) have attracted considerable attention for their ability to integrate partial differential equation priors into deep learning frameworks; however, they often exhibit limited predictive accuracy when…

Machine Learning · Computer Science 2026-05-28 Ze Tao , Hanxuan Wang , Fujun Liu

Pressure and flow estimation in Water Distribution Networks (WDN) allows water management companies to optimize their control operations. For many years, mathematical simulation tools have been the most common approach to reconstructing an…

Machine Learning · Computer Science 2024-07-11 Huy Truong , Andrés Tello , Alexander Lazovik , Victoria Degeler

The simulation of microcirculatory blood flow in realistic vascular architectures poses significant challenges due to the multiscale nature of the problem and the topological complexity of capillary networks. In this work, we propose a…

Numerical Analysis · Mathematics 2025-12-12 Paolo Botta , Piermario Vitullo , Thomas Ventimiglia , Andreas Linninger , Paolo Zunino

Physics-informed graph neural networks (PIGNNs) have emerged as fast AC power-flow solvers that can replace the classic NewtonRaphson (NR) solvers, especially when thousands of scenarios must be evaluated. However, current PIGNNs still need…

Physics-based simulations are often used to model and understand complex physical systems and processes in domains like fluid dynamics. Such simulations, although used frequently, have many limitations which could arise either due to the…

Machine Learning · Computer Science 2019-11-12 Nikhil Muralidhar , Jie Bu , Ze Cao , Long He , Naren Ramakrishnan , Danesh Tafti , Anuj Karpatne

Physics-Informed machine learning models have recently emerged with some interesting and unique features that can be applied to reservoir engineering. In particular, physics-informed neural networks (PINN) leverage the fact that neural…

Fluid Dynamics · Physics 2023-12-01 Daniel Badawi , Eduardo Gildin

Physics-informed deep learning has drawn tremendous interest in recent years to solve computational physics problems, whose basic concept is to embed physical laws to constrain/inform neural networks, with the need of less data for training…

Fluid Dynamics · Physics 2020-11-24 Chengping Rao , Hao Sun , Yang Liu

Traditional numerical methods often struggle with the complexity and scale of modeling pollutant transport across vast and dynamic oceanic domains. This paper introduces a Physics-Informed Neural Network (PINN) framework to simulate the…

Machine Learning · Computer Science 2025-07-15 Karishma Battina , Prathamesh Dinesh Joshi , Raj Abhijit Dandekar , Rajat Dandekar , Sreedath Panat

Fast prediction of suspension rheology is fundamental for optimizing process efficiency and performance in numerous industrial settings. However, traditional simulations are computationally demanding due to explicit evaluation of contact…

Soft Condensed Matter · Physics 2026-02-10 Armin Aminimajd , Joao Maia , Abhinendra Singh

The application of deep learning methods to speed up the resolution of challenging power flow problems has recently shown very encouraging results. However, power system dynamics are not snap-shot, steady-state operations. These dynamics…

Machine Learning · Computer Science 2022-06-22 Mostafa Mohammadian , Kyri Baker , Ferdinando Fioretto

Weather Forecasting is an attractive challengeable task due to its influence on human life and complexity in atmospheric motion. Supported by massive historical observed time series data, the task is suitable for data-driven approaches,…

Machine Learning · Computer Science 2022-09-20 Minbo Ma , Peng Xie , Fei Teng , Tianrui Li , Bin Wang , Shenggong Ji , Junbo Zhang

Battery energy storage systems (BESS) have become increasingly vital in three-phase unbalanced distribution grids for maintaining voltage stability and enabling optimal dispatch. However, existing deep learning approaches often lack…

Machine Learning · Computer Science 2026-01-30 Aoxiang Ma , Salah Ghamizi , Jun Cao , Pedro Rodriguez