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Developing complex biomolecular workflows is not always straightforward. It requires tedious developments to enable the interoperability between the different biomolecular simulation and analysis tools. Moreover, the need to execute the…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-20 Jorge Ejarque , Pau Andrio , Adam Hospital , Javier Conejero , Daniele Lezzi , Josep LL. Gelpi , Rosa M. Badia

Deep neural networks (DNNs) have been proving the effectiveness in various computing fields. To provide more efficient computing platforms for DNN applications, it is essential to have evaluation environments that include assorted benchmark…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-01-16 Aajna Karki , Chethan Palangotu Keshava , Spoorthi Mysore Shivakumar , Joshua Skow , Goutam Madhukeshwar Hegde , Hyeran Jeon

Over the past decade, machine learning model complexity has grown at an extraordinary rate, as has the scale of the systems training such large models. However there is an alarmingly low hardware utilization (5-20%) in large scale AI…

Hardware Architecture · Computer Science 2022-11-14 Newsha Ardalani , Saptadeep Pal , Puneet Gupta

We present a differentiable pipeline for simulating the motion of objects that represent their geometry as a continuous density field parameterized as a deep network. This includes Neural Radiance Fields (NeRFs), and other related models.…

Machine learning libraries such as TensorFlow and PyTorch simplify model implementation. However, researchers are still required to perform a non-trivial amount of manual tasks such as GPU allocation, training status tracking, and…

We present a novel framework to explore neural control and design of complex fluidic systems with dynamic solid boundaries. Our system features a fast differentiable Navier-Stokes solver with solid-fluid interface handling, a…

Fluid Dynamics · Physics 2024-11-04 Yifei Li , Yuchen Sun , Pingchuan Ma , Eftychios Sifakis , Tao Du , Bo Zhu , Wojciech Matusik

The time evolution of dynamical systems is frequently described by ordinary differential equations (ODEs), which must be solved for given initial conditions. Most standard approaches numerically integrate ODEs producing a single solution…

Machine Learning · Computer Science 2020-06-26 Cedric Flamant , Pavlos Protopapas , David Sondak

The numerical simulation of multiphase flows involving dispersed components with large scale disparities, such as the collisions between millimeter-sized bubbles and micron-sized mineral particles in flotation, poses a significant…

Fluid Dynamics · Physics 2026-05-21 Linfeng Jiang , Enrico Calzavarini , Dominik Krug

Concept-based interpretability for Convolutional Neural Networks (CNNs) aims to align internal model representations with high-level semantic concepts, but existing approaches largely overlook the semantic roles of individual filters and…

Machine Learning · Computer Science 2025-09-24 Xinyu Mu , Hui Dou , Furao Shen , Jian Zhao

In resent years, the software ecosystem for numerical simulation still remains fragmented, with different algorithms and discretization methods often implemented in isolation, each with distinct data structures and programming conventions.…

Numerical Analysis · Mathematics 2026-03-10 Yangyang Zheng , Huayi Wei , Yunqing Huang , Chunyu Chen , Tian Tian , Hanbin Liu , Wenbin Wang , Liang He

Graph Neural Networks (GNNs) play a crucial role in various fields. However, most existing deep graph learning frameworks assume pre-stored static graphs and do not support training on graph streams. In contrast, many real-world graphs are…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-12-01 Yuchen Zhong , Guangming Sheng , Tianzuo Qin , Minjie Wang , Quan Gan , Chuan Wu

In this paper, we introduce SciANN, a Python package for scientific computing and physics-informed deep learning using artificial neural networks. SciANN uses the widely used deep-learning packages Tensorflow and Keras to build deep neural…

Other Computer Science · Computer Science 2020-12-30 Ehsan Haghighat , Ruben Juanes

We present a novel up-resing technique for generating high-resolution liquids based on scene flow estimation using deep neural networks. Our approach infers and synthesizes small- and large-scale details solely from a low-resolution…

Graphics · Computer Science 2021-12-15 Bruno Roy , Pierre Poulin , Eric Paquette

Dynamical systems see widespread use in natural sciences like physics, biology, chemistry, as well as engineering disciplines such as circuit analysis, computational fluid dynamics, and control. For simple systems, the differential…

Spiking neural networks are nature's versatile solution to fault-tolerant and energy efficient signal processing. To translate these benefits into hardware, a growing number of neuromorphic spiking neural network processors attempt to…

Neural and Evolutionary Computing · Computer Science 2019-05-06 Emre O. Neftci , Hesham Mostafa , Friedemann Zenke

Physics-informed neural networks (PINNs) have gained significant prominence as a powerful tool in the field of scientific computing and simulations. Their ability to seamlessly integrate physical principles into deep learning architectures…

Machine Learning · Computer Science 2024-04-05 Zakaria Elabid , Daniel Busby , Abdenour Hadid

The study of complex many-body systems via analysis of the trajectories of the units that dynamically move and interact within them is a non-trivial task. The workflow for extracting meaningful information from the raw trajectory data is…

Materials Science · Physics 2025-10-31 Simone Martino , Matteo Becchi , Andrew Tarzia , Daniele Rapetti , Giovanni M. Pavan

FastFlow is a structured parallel programming framework targeting shared memory multicores. Its layered design and the optimized implementation of the communication mechanisms used to implement the FastFlow streaming networks provided to…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-04-25 Marco Aldinucci , Marco Danelutto , Massimo Torquati

We present VegasFlow, a new software for fast evaluation of high dimensional integrals based on Monte Carlo integration techniques designed for platforms with hardware accelerators. The growing complexity of calculations and simulations in…

Computational Physics · Physics 2020-06-24 Stefano Carrazza , Juan M. Cruz-Martinez

Distributed training frameworks, like TensorFlow, have been proposed as a means to reduce the training time of deep learning models by using a cluster of GPU servers. While such speedups are often desirable---e.g., for rapidly evaluating…

Performance · Computer Science 2019-05-07 Shijian Li , Robert J. Walls , Lijie Xu , Tian Guo