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Simulations of biological macromolecules play an important role in understanding the physical basis of a number of complex processes such as protein folding. Even with increasing computational power and evolution of specialized…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-09-18 Hyungro Lee , Heng Ma , Matteo Turilli , Debsindhu Bhowmik , Shantenu Jha , Arvind Ramanathan

Accurate representations of unknown and sub-grid physical processes through parameterizations (or closure) in numerical simulations with quantified uncertainty are critical for resolving the coarse-grained partial differential equations…

Machine Learning · Computer Science 2024-05-08 Yongquan Qu , Mohamed Aziz Bhouri , Pierre Gentine

There is a growing need for computational tools to automatically design and verify autonomous systems, especially complex robotic systems involving perception, planning, control, and hardware in the autonomy stack. Differentiable…

Robotics · Computer Science 2022-04-26 Charles Dawson , Chuchu Fan

Measurement and analysis of high energetic particles for scientific, medical or industrial applications is a complex procedure, requiring the design of sophisticated detector and data processing systems. The development of adaptive and…

Computational Physics · Physics 2025-10-30 Tobias Kortus , Ralf Keidel , Nicolas R. Gauger

Solving partial differential equations with deep learning makes it possible to reduce simulation times by multiple orders of magnitude and unlock scientific methods that typically rely on large numbers of sequential simulations, such as…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-11-24 Philipp A. Witte , Russell J. Hewett , Kumar Saurabh , AmirHossein Sojoodi , Ranveer Chandra

Underground duct banks carrying power cables dissipate heat to the surrounding soil. The amount of heat dissipated determines the current rating of cables, which in turn affects the sizing of the cables. The dissipation of heat through the…

Geophysics · Physics 2023-12-27 Anusha Vajapeyajula , Krishna Kumar

The solution for non-linear, complex partial differential Equations (PDEs) is achieved through numerical approximations, which yield a linear system of equations. This approach is prevalent in Computational Fluid Dynamics (CFD), but it…

Fluid Dynamics · Physics 2024-09-06 Ferdin Sagai Don Bosco , Dhamotharan S , Rut Lineswala , Abhishek Chopra

Probabilistic Programming Languages (PPLs) are a powerful tool in machine learning, allowing highly expressive generative models to be expressed succinctly. They couple complex inference algorithms, implemented by the language, with an…

Programming Languages · Computer Science 2020-10-19 Alexander Collins , Vinod Grover

Automatic differentiation (AD) has driven recent advances in machine learning, including deep neural networks and Hamiltonian Markov Chain Monte Carlo methods. Partially observed nonlinear stochastic dynamical systems have proved resistant…

Methodology · Statistics 2024-07-04 Kevin Tan , Giles Hooker , Edward L. Ionides

This work develops a class of probabilistic algorithms for the numerical solution of nonlinear, time-dependent partial differential equations (PDEs). Current state-of-the-art PDE solvers treat the space- and time-dimensions separately,…

Numerical Analysis · Mathematics 2022-03-10 Nicholas Krämer , Jonathan Schmidt , Philipp Hennig

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

Current trends in Machine Learning prefer explainability even when it comes at the cost of performance. Therefore, explainable AI methods are particularly important in the field of Fraud Detection. This work investigates the applicability…

Risk Management · Quantitative Finance 2024-10-30 Boris Wolfson , Erman Acar

In this paper we show that our Machine Learning (ML) approach, CoMLSim (Composable Machine Learning Simulator), can simulate PDEs on highly-resolved grids with higher accuracy and generalization to out-of-distribution source terms and…

Machine Learning · Computer Science 2022-10-13 Rishikesh Ranade , Chris Hill , Lalit Ghule , Jay Pathak

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…

Mesh generation is essential for accurate and efficient computational fluid dynamics simulations. To resolve critical features in the flow, adaptive mesh refinement (AMR) is routinely employed in certain regions of the computational domain,…

Fluid Dynamics · Physics 2024-12-02 Yongzheng Zhu , Shiji Zhao , Yuanye Zhou , Hong Liang , Xin Bian

Machine learning for scientific applications faces the challenge of limited data. We propose a framework that leverages a priori known physics to reduce overfitting when training on relatively small datasets. A deep neural network is…

Machine Learning · Computer Science 2019-11-22 Jonathan B. Freund , Jonathan F. MacArt , Justin Sirignano

Over the last few decades, existing Partial Differential Equation (PDE) solvers have demonstrated a tremendous success in solving complex, non-linear PDEs. Although accurate, these PDE solvers are computationally costly. With the advances…

Computational Physics · Physics 2020-05-19 Rishikesh Ranade , Chris Hill , Jay Pathak

Differentiable simulators continue to push the state of the art across a range of domains including computational physics, robotics, and machine learning. Their main value is the ability to compute gradients of physical processes, which…

Robotics · Computer Science 2024-07-09 Rhys Newbury , Jack Collins , Kerry He , Jiahe Pan , Ingmar Posner , David Howard , Akansel Cosgun

Partial Differential Equations (PDEs) are fundamental tools for modeling physical phenomena, yet most PDEs of practical interest cannot be solved analytically and require numerical approximations. The feasibility of such numerical methods,…

Numerical Analysis · Mathematics 2025-12-03 Juan Esteban Suarez Cardona , Holger Boche , Gitta Kutyniok

Differentiable Programming for scientific machine learning (SciML) has recently seen considerable interest and success, as it directly embeds neural networks inside PDEs, often called as NeuralPDEs, derived from first principle physics.…

Machine Learning · Computer Science 2024-11-25 Arvind Mohan , Ashesh Chattopadhyay , Jonah Miller