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Approximating partial differential equations for extensive industrial and scientific applications requires leveraging the power of modern high-performance computing. In large-scale parallel computations, the geometrical discretisation…

Numerical Analysis · Mathematics 2024-12-30 Pere A. Martorell , Santiago Badia

We demonstrate a practical differentiable programming approach for acoustic inverse problems through two applications: admittance estimation and shape optimization for resonance damping. First, we show that JAX-FEM's automatic…

Machine Learning · Computer Science 2025-11-17 Nikolas Borrel-Jensen , Josiah Bjorgaard

We introduce JAX-LaB, a differentiable, Python-based Lattice Boltzmann simulation library designed for modeling multiphase and multiphysics fluid dynamics problems in hydrologic, geologic, and engineered porous media settings. The library…

Computational Physics · Physics 2025-11-18 Piyush Pradhan , Pierre Gentine , Shaina Kelly

This paper presents a fast method for global search of atomic structures at ab initio level. The structures global optimization (SGO) engine consists of a high-efficiency differential evolution algorithm, accelerated local relaxation…

Materials Science · Physics 2017-09-13 Zhanghui Chen , Weile Jia , Lin-Wang Wang

Designing mechanically efficient geometry for architectural structures like shells, towers, and bridges, is an expensive iterative process. Existing techniques for solving such inverse problems rely on traditional optimization methods,…

Computational Engineering, Finance, and Science · Computer Science 2025-03-18 Rafael Pastrana , Eder Medina , Isabel M. de Oliveira , Sigrid Adriaenssens , Ryan P. Adams

Context. Inferring spectral parameters from X-ray data is one of the cornerstones of high-energy astrophysics, and is achieved using software stacks that have been developed over the last twenty years and more. However, as models get more…

Instrumentation and Methods for Astrophysics · Physics 2024-10-23 Simon Dupourqué , Didier Barret , Camille M. Diez , Sébastien Guillot , Erwan Quintin

Electronic structure simulation (ESS) has been used for decades to provide quantitative scientific insights on an atomistic scale, enabling advances in chemistry, biology, and materials science, among other disciplines. Following standard…

Machine Learning · Computer Science 2024-06-06 Hatem Helal , Andrew Fitzgibbon

In robot control, planning, and learning, there is a need for rigid-body dynamics libraries that are highly performant, easy to use, and compatible with CPUs and accelerators. While existing libraries often excel at either low-latency CPU…

Robotics · Computer Science 2026-05-18 Daniel Morton , Marco Pavone

X-ray security inspection requires accurate real-time detection of prohibited items, but existing models often struggle to balance the challenges of severe occlusion, complex clutter, and strict speed requirements. To overcome these…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 Jiahao Kong

We propose a data-driven framework to increase the computational efficiency of the explicit finite element method in the structural analysis of soft tissue. An encoder-decoder long short-term memory deep neural network is trained based on…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-07-11 Guoxiang Grayson Tong , Daniele E. Schiavazzi

Robotic cutting of soft materials is critical for applications such as food processing, household automation, and surgical manipulation. As in other areas of robotics, simulators can facilitate controller verification, policy learning, and…

Robotics · Computer Science 2021-05-27 Eric Heiden , Miles Macklin , Yashraj Narang , Dieter Fox , Animesh Garg , Fabio Ramos

We introduce Atomistic learned potentials in JAX (apax), a flexible and efficient open source software package for training and inference of machine-learned interatomic potentials. Built on the JAX framework, apax supports GPU acceleration…

Chemical Physics · Physics 2025-11-19 Moritz René Schäfer , Nico Segreto , Fabian Zills , Christian Holm , Johannes Kästner

Partial differential equations (PDEs) are used to describe a variety of physical phenomena. Often these equations do not have analytical solutions and numerical approximations are used instead. One of the common methods to solve PDEs is the…

Mathematical Software · Computer Science 2023-09-15 Ivan Yashchuk

Genetic programming is an optimization algorithm inspired by evolution which automatically evolves the structure of interpretable computer programs. The fitness evaluation in genetic programming suffers from high computational requirements,…

Neural and Evolutionary Computing · Computer Science 2025-04-16 Sigur de Vries , Sander W. Keemink , Marcel A. J. van Gerven

The proliferation of location-based services has led to massive spatial data generation. Spatial join is a crucial database operation that identifies pairs of objects from two spatial datasets based on spatial relationships. Due to the…

Databases · Computer Science 2025-04-03 Yongyi Liu , Ahmed Mahmood , Amr Magdy , Minyao Zhu

CASL-HJX is a computational framework designed for solving deterministic and stochastic Hamilton-Jacobi equations in two spatial dimensions. It provides a flexible and efficient approach to modeling front propagation problems, optimal…

Optimization and Control · Mathematics 2025-05-21 Faranak Rajabi , Jacob Fingerman , Andrew Wang , Jeff Moehlis , Frederic Gibou

Gel-elastomer composites, comprising an active swellable hydrogel and a passive elastomer, are a compelling class of programmable material systems (PMS) capable of shape morphing under multiphysics actuation. The precise design of the…

Computational Engineering, Finance, and Science · Computer Science 2026-05-20 Aaditya Chandrasekhar , Dex Doksoo Lee , Hyunwoo Kwon , Wei Chen

Numerical modeling of fermionic many-body quantum systems presents similar challenges across various research domains, necessitating universal tools, including state-of-the-art machine learning techniques. Here, we introduce SOLAX, a Python…

Computational Physics · Physics 2025-02-26 Louis Thirion , Philipp Hansmann , Pavlo Bilous

We demonstrate a high-performance vendor-agnostic method for massively parallel solving of ensembles of ordinary differential equations (ODEs) and stochastic differential equations (SDEs) on GPUs. The method is integrated with a widely used…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-20 Utkarsh Utkarsh , Valentin Churavy , Yingbo Ma , Tim Besard , Prakitr Srisuma , Tim Gymnich , Adam R. Gerlach , Alan Edelman , George Barbastathis , Richard D. Braatz , Christopher Rackauckas

We introduce an efficient open-source python package for the inverse design of three-dimensional photonic nanostructures using the Finite-Difference Time-Domain (FDTD) method. Leveraging a flexible reverse-mode automatic differentiation…