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Despite the importance of sparse matrices in numerous fields of science, software implementations remain difficult to use for non-expert users, generally requiring the understanding of underlying details of the chosen sparse matrix storage…

In this paper, we address a way to reduce the total computational cost of meshless approximation by reducing the required stencil size through spatially varying computational node regularity. Rather than covering the entire domain with…

The proliferation of 3D representations, from explicit meshes to implicit neural fields and more, motivates the need for simulators agnostic to representation. We present a data-, mesh-, and grid-free solution for elastic simulation for any…

Medical image analysis continues to hold interesting challenges given the subtle characteristics of certain diseases and the significant overlap in appearance between diseases. In this work, we explore the concept of self-attention for…

Nowadays, the paradigm of parallel computing is changing. CUDA is now a popular programming model for general purpose computations on GPUs and a great number of applications were ported to CUDA obtaining speedups of orders of magnitude…

This paper describes a 2D and 3D simulation engine that quantitatively models the statics, dynamics, and non-linear deformation of heterogeneous soft bodies in a computationally efficient manner. There is a large body of work simulating…

In this chapter, we discuss recent advances and new opportunities through methods of machine learning for the field of classical density functional theory, dealing with the equilibrium properties of thermal nano- and micro-particle systems…

Incorporation of machine learning (ML) techniques into atomic-scale modeling has proven to be an extremely effective strategy to improve the accuracy and reduce the computational cost of simulations. It also entails conceptual and practical…

In the numerical solution of partial differential equations (PDEs), a central question is the one of building variational formulations that are inf-sup stable not only at the infinite-dimensional level, but also at the finite-dimensional…

We introduce a C++ header-only library that is used to solve the axion equation of motion, MiMeS. MiMeS makes no assumptions regarding the cosmology and the mass of the axion, which allows the user to consider various cosmological scenarios…

This work outlines a new multi-physics-compatible immersed rigid body method for Eulerian finite-volume simulations. To achieve this, rigid bodies are represented as a diffuse scalar field and an interface seeding method is employed to…

Representing scientific data sets efficiently on external storage usually involves converting them to a byte string representation using specialized reader/writer routines. The resulting storage files are frequently difficult to interpret…

The immersed boundary method is a mathematical formulation and numerical method for solving fluid-structure interaction problems. For many biological problems, such as models that include the cell membrane, the immersed structure is a…

We present version 3 of the open-source simulator for flow and transport processes in porous media DuMu$^\text{x}$. DuMu$^\text{x}$ is based on the modular C++ framework Dune (Distributed and Unified Numerics Environment) and is developed…

We describe a set of lower-level abstractions to improve performance on modern large scale heterogeneous systems. These provide portable access to system- and hardware-dependent features, automatically apply dynamic optimizations at run…

We present Theseus, an efficient application-agnostic open source library for differentiable nonlinear least squares (DNLS) optimization built on PyTorch, providing a common framework for end-to-end structured learning in robotics and…

Video games have emerged as a medium for learning by creating engaging environments, encouraging creative and deep thinking, and exposing learners to complex problems. Unfortunately, even though there are increasing examples of video games…

latfield2 is a C++ library designed to simplify writing parallel codes for solving partial differen- tial equations, developed for application to classical field theories in particle physics and cosmology. It is a significant rewrite of the…

We introduce a learning-based framework to optimize tensor programs for deep learning workloads. Efficient implementations of tensor operators, such as matrix multiplication and high dimensional convolution, are key enablers of effective…

A 3D fluid-structure interaction solver based on an improved weakly-compressible moving particle simulation (WC-MPS) method and a geometrically nonlinear shell structural model is developed and applied to hydro-elastic free-surface flows.…