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A flexible treatment for gas- and aerosol-phase chemical processes has been developed for models of diverse scale, from box models up to global models. At the core of this novel framework is an "abstracted aerosol representation" that…

Computational Engineering, Finance, and Science · Computer Science 2021-11-16 Matthew L. Dawson , Christian Guzman , Jeffrey H. Curtis , Mario Acosta , Shupeng Zhu , Donald Dabdub , Andrew Conley , Matthew West , Nicole Riemer , Oriol Jorba

In the emerging field of molecular communication (MC), testbeds are needed to validate theoretical concepts, motivate applications, and guide further modeling efforts. To this end, this paper presents a flexible and extendable in-vessel…

The advent of simulation engines has revolutionized learning and operational efficiency for robots, offering cost-effective and swift pipelines. However, the lack of a universal simulation platform tailored for chemical scenarios impedes…

Robotics · Computer Science 2024-06-13 Shoujie Li , Yan Huang , Changqing Guo , Tong Wu , Jiawei Zhang , Linrui Zhang , Wenbo Ding

Biochemical reactions typically occur at low copy numbers, but at once in crowded and diverse environments. Space and stochasticity therefore play an essential role in biochemical networks. Spatial-stochastic simulations have become a…

Discrete diffusion models are a class of generative models that construct sequences by progressively denoising samples from a categorical noise distribution. Beyond their rapidly growing ability to generate coherent natural language, these…

Computation and Language · Computer Science 2025-12-11 Michael Cardei , Jacob K Christopher , Thomas Hartvigsen , Bhavya Kailkhura , Ferdinando Fioretto

Many distributed systems require coordination between the components involved. With the steady growth of such systems, the probability of failures increases, which necessitates scalable fault-tolerant agreement protocols. The most common…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-24 Marius Poke , Torsten Hoefler , Colin W. Glass

We report adaptive resolution molecular dynamics simulations of a flexible linear polymer in solution. The solvent, i.e., a liquid of tetrahedral molecules, is represented within a certain radius from the polymer's center of mass with a…

Soft Condensed Matter · Physics 2007-05-23 Matej Praprotnik , Luigi Delle Site , Kurt Kremer

Multiparticle collision dynamics (MPCD) is a flexible and robust mesoscale computational technique for simulating solvent-mediated hydrodynamic interactions in soft materials. Here, we provide a critical overview of the MPCD method and…

Soft Condensed Matter · Physics 2019-02-28 Michael P. Howard , Arash Nikoubashman , Jeremy C. Palmer

Active- and transfer-learning are applied to polymer flows for the multiscale discovery of effective constitutive approximations required in viscoelastic flow simulation. The result is macroscopic rheology directly connected to a…

Computational Physics · Physics 2021-02-03 Lifei Zhao , Zhen Li , Zhicheng Wang , Bruce Caswell , Jie Ouyang , George Em Karniadakis

We have developed URDME, a general software for simulation of stochastic reaction-diffusion processes on unstructured meshes. This allows for a more flexible handling of complicated geometries and curved boundaries compared to simulations…

Molecular Networks · Quantitative Biology 2026-02-27 Stefan Engblom

The simulation of stochastic reaction-diffusion systems using fine-grained representations can become computationally prohibitive when particle numbers become large. If particle numbers are sufficiently high then it may be possible to…

Quantitative Methods · Quantitative Biology 2020-10-02 Christian A. Yates , Adam George , Armand Jordana , Cameron A. Smith , Andrew B. Duncan , Konstantinos C. Zygalakis

We propose cross-modal attentive connections, a new dynamic and effective technique for multimodal representation learning from wearable data. Our solution can be integrated into any stage of the pipeline, i.e., after any convolutional…

Machine Learning · Computer Science 2022-06-10 Anubhav Bhatti , Behnam Behinaein , Paul Hungler , Ali Etemad

Although semantic communication (SC) has shown its potential in efficiently transmitting multimodal data such as texts, speeches and images, SC for videos has focused primarily on pixel-level reconstruction. However, these SC systems may be…

Computer Vision and Pattern Recognition · Computer Science 2025-02-12 Jiangyuan Guo , Wei Chen , Yuxuan Sun , Jialong Xu , Bo Ai

Beamforming is a key technology in millimeter-wave (mmWave) communications that improves signal transmission by optimizing directionality and intensity. However, conventional channel estimation methods, such as pilot signals or beam…

Networking and Internet Architecture · Computer Science 2025-12-02 Yu Min Park , Yan Kyaw Tun , Eui-Nam Huh , Walid Saad , Choong Seon Hong

We develop a novel method of replica-exchange molecular dynamics (REMD) simulation, mass-scaling REMD (MSREMD) method, which improves trajectory accuracy at high temperatures, and thereby contributes to numerical stability. In addition, the…

Statistical Mechanics · Physics 2015-06-19 Tetsuro Nagai , Takuya Takahashi

We created an efficient algorithm suitable for graphics processing units (GPUs) to perform Monte Carlo simulations of a subset of reaction-diffusion models. The algorithm uses techniques that are specific to GPU programming, and combines…

Computational Physics · Physics 2013-03-06 R. D. Schram

Numerical simulation is one of the mainstream methods in scientific research, typically performed by professional engineers. With the advancement of multi-agent technology, using collaborating agents to replicate human behavior shows…

Multiagent Systems · Computer Science 2026-01-13 Chunwei Yang , Yankai Wang , Jianxiang Tang , Haojie Qu , Ziqiang Zou , YuLiu , Chunrui Deng , Zhifang Qiu , Ming Ding

Masked Diffusion Models (MDMs) provide an efficient non-causal alternative to autoregressive generation but often struggle with token dependencies and semantic incoherence due to their reliance on discrete marginal distributions. We address…

Computation and Language · Computer Science 2026-04-20 Roy Uziel , Omer Belhasin , Itay Levy , Akhiad Bercovich , Ran El-Yaniv , Ran Zilberstein , Michael Elad

Spoken conversational question answering (SCQA) requires machines to model complex dialogue flow given the speech utterances and text corpora. Different from traditional text question answering (QA) tasks, SCQA involves audio signal…

Computation and Language · Computer Science 2021-06-25 Chenyu You , Nuo Chen , Yuexian Zou

We present SoundLoCD, a novel text-to-sound generation framework, which incorporates a LoRA-based conditional discrete contrastive latent diffusion model. Unlike recent large-scale sound generation models, our model can be efficiently…

Sound · Computer Science 2024-05-27 Xinlei Niu , Jing Zhang , Christian Walder , Charles Patrick Martin