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Writing efficient hybrid parallel code is tedious, error-prone, and requires good knowledge of both parallel programming and multithreading such as MPI and OpenMP, resp. Therefore, we present a framework which is based on a job model that…
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…
MiMiC is a flexible and efficient framework for multiscale simulations in which different subsystems are treated by individual client programs. In this work, we present a new interface with OpenMM to be used as an MM client program and we…
As molecular scientists have made progress in their ability to engineer nano-scale molecular structure, we are facing new challenges in our ability to engineer molecular dynamics (MD) and flexibility. Dynamics at the molecular scale differs…
In this paper, we study applications of the virtual element method (VEM) for simulating the deformation of multiphase composites. The VEM is a Galerkin approach that is applicable to meshes that consist of arbitrarily-shaped polygonal and…
The traditional ML development methodology does not enable a large number of contributors, each with distinct objectives, to work collectively on the creation and extension of a shared intelligent system. Enabling such a collaborative…
Developing smart house systems has been a great challenge for researchers and engineers in this area because of the high cost of implementation and evaluation process of these systems, while being very time consuming. Testing a designed…
The Collective Variables Dashboard is a software tool for real-time, seamless exploration of molecular structures and trajectories in a customizable space of collective variables. The Dashboard arises from the integration of the Collective…
A Cyber-Physical System (CPS) comprises physical as well as software subsystems. Simulation-based approaches are typically used to support design and Verification and Validation (V&V) of CPSs in several domains such as: aerospace, defence,…
MDL, Multimodal Deep Learning Library, is a deep learning framework that supports multiple models, and this document explains its philosophy and functionality. MDL runs on Linux, Mac, and Unix platforms. It depends on OpenCV.
Recent advances in 4D generation mainly focus on generating 4D content by distilling pre-trained text or single-view image-conditioned models. It is inconvenient for them to take advantage of various off-the-shelf 3D assets with multi-view…
Multimodal representation learning has demonstrated remarkable potential in enabling models to process and integrate diverse data modalities, such as text and images, for improved understanding and performance. While the medical domain can…
Augmented reality (AR) has revolutionized the video game industry by providing interactive, three-dimensional visualization. Interestingly, AR technology has only been sparsely used in scientific visualization. This is, at least in part,…
Recent advances in large language models (LLMs) have driven impressive progress in omni-modal understanding and generation. However, training omni-modal LLMs remains a significant challenge due to the heterogeneous model architectures…
In this article we introduce the concept and the first implementation of a lightweight client-server-framework as middleware for distributed computing. On the client side an installation without administrative rights or privileged ports can…
Multimodal pre-training demonstrates its potential in the medical domain, which learns medical visual representations from paired medical reports. However, many pre-training tasks require extra annotations from clinicians, and most of them…
We present advances in the software engineering design and implementation of the multi-tier run-time system for the General Intensional Programming System (GIPSY) by further unifying the distributed technologies used to implement the Demand…
This paper presents a generalized framework for the simulation of multiple robots and drones in highly realistic models of natural environments. The proposed simulation architecture uses the Unreal Engine4 for generating both optical and…
This article reviews recent progress in the development of the computing framework vector symbolic architectures (VSA) (also known as hyperdimensional computing). This framework is well suited for implementation in stochastic, emerging…
Only a small fraction of the data generated in state-of-the-art all-atom multi-microsecond molecular dynamics (MD) simulations is typically analyzed. With femtosecond integration steps, microsecond simulations generate billions of time…