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In this work, we propose a novel transport model for soluble surfactants in two-phase flows. In a two-phase flow, the soluble surfactants can adsorb/desorb from/into the bulk of any of the phases to the interface and can modify the…

Fluid Dynamics · Physics 2025-10-14 Suhas S. Jain

Language models are revolutionizing the biochemistry domain, assisting scientists in drug design and chemical synthesis with high efficiency. Yet current approaches struggle between small language models prone to hallucination and limited…

Machine Learning · Computer Science 2026-02-02 Hao Li , He Cao , Shenyao Peng , Zijing Liu , Bin Feng , Yu Wang , Zhiyuan Yan , Yonghong Tian , Yu Li , Li Yuan

This work aims at a challenging task: human action-reaction synthesis, i.e., generating human reactions conditioned on the action sequence of another person. Currently, autoregressive modeling approaches with vector quantization (VQ) have…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Yabiao Wang , Shuo Wang , Jiangning Zhang , Jiafu Wu , Qingdong He , Yong Liu

In molecular simulation and fluid mechanics, the coupling of a particle domain with a continuum representation of its embedding environment is an ongoing challenge. In this work, we show a novel approach where the latest version of the…

Computational Physics · Physics 2022-12-14 Abbas Gholami , Rupert Klein , Luigi Delle Site

Diffusion-based voice conversion (VC) techniques such as VoiceGrad have attracted interest because of their high VC performance in terms of speech quality and speaker similarity. However, a notable limitation is the slow inference caused by…

Sound · Computer Science 2024-09-05 Takuhiro Kaneko , Hirokazu Kameoka , Kou Tanaka , Yuto Kondo

Diffusion-based generative models have become dominant generators of high-fidelity images and videos but remain limited by their computationally expensive inference procedures. Existing acceleration techniques either require extensive model…

Machine Learning · Computer Science 2025-07-22 Jiaqi Han , Haotian Ye , Puheng Li , Minkai Xu , James Zou , Stefano Ermon

A biofilm is a microbial city. It consists of bacteria embedded in an extracellular polymeric substance (EPS) that functions as a protective barrier. Quorum sensing (QS) is a method of bacterial communication, where autoinducers (AIs)…

Signal Processing · Electrical Eng. & Systems 2024-08-15 Yanahan Paramalingam , Hamidreza Arjmandi , Freya Harrison , Tara Schiller , Adam Noel

Subdiffusion has been proposed as an explanation of various kinetic phenomena inside living cells. In order to fascilitate large-scale computational studies of subdiffusive chemical processes, we extend a recently suggested mesoscopic model…

Analysis of PDEs · Mathematics 2018-02-19 Emilie Blanc , Stefan Engblom , Andreas Hellander , Per Lötstedt

Molecular dynamics (MD) simulation is a powerful tool for studying biomolecular structural changes, molecular recognition, transmembrane transport, and functional mechanisms. However, its practical bottleneck lies not only in software…

Quantitative Methods · Quantitative Biology 2026-04-22 Zhenyu Ma , Chunyi Yang , Yuyang Song , Jingyi Zhu , Letian Yang , Limei Xu , Min Xiao , Xukai Jiang

We introduce SODA, a self-supervised diffusion model, designed for representation learning. The model incorporates an image encoder, which distills a source view into a compact representation, that, in turn, guides the generation of related…

Computer Vision and Pattern Recognition · Computer Science 2023-11-30 Drew A. Hudson , Daniel Zoran , Mateusz Malinowski , Andrew K. Lampinen , Andrew Jaegle , James L. McClelland , Loic Matthey , Felix Hill , Alexander Lerchner

This work examines adaptive distributed learning strategies designed to operate under communication constraints. We consider a network of agents that must solve an online optimization problem from continual observation of streaming data.…

Machine Learning · Computer Science 2025-04-25 Marco Carpentiero , Vincenzo Matta , Ali H. Sayed

Text-based diffusion models have made significant breakthroughs in generating high-quality images and videos from textual descriptions. However, the lengthy sampling time of the denoising process remains a significant bottleneck in…

Computer Vision and Pattern Recognition · Computer Science 2026-05-28 Shangwen Zhu , Han Zhang , Zhantao Yang , Qianyu Peng , Zhao Pu , Huangji Wang , Fan Cheng

Biological cells can exchange messages through soluble molecules or membrane-bound receptors. In particular in the latter case, the interaction is usually located in specific regions of the interacting cells and may depend on or induce…

Quantitative Methods · Quantitative Biology 2023-12-12 Thorsten Prüstel , Martin Meier-Schellersheim

In this study, an active disturbance rejection control (ADRC) toolbox for MATLAB/Simulink is introduced. Although ADRC has already been established as a powerful robust control framework with successful industrial implementations and strong…

Systems and Control · Electrical Eng. & Systems 2022-06-09 Krzysztof Lakomy , Wojciech Giernacki , Jacek Michalski , Rafal Madonski

Molecular Communication (MC) is a bio-inspired communication paradigm utilizing molecules for information transfer. Research on this unconventional communication technique has recently started to transition from theoretical investigations…

Emerging Technologies · Computer Science 2023-07-11 Ali Abdali , Murat Kuscu

One of the main challenges in diffusion-based molecular communication is dealing with the non-linearity of reaction-diffusion chemical equations. While numerical methods can be used to solve these equations, a change in the input signals or…

Information Theory · Computer Science 2021-06-04 Hamidreza Abin , Amin Gohari , Masoumeh Nasiri-Kenari

Collaborative perception in multi-agent system enhances overall perceptual capabilities by facilitating the exchange of complementary information among agents. Current mainstream collaborative perception methods rely on discretized feature…

Computer Vision and Pattern Recognition · Computer Science 2025-03-19 Kang Yang , Tianci Bu , Lantao Li , Chunxu Li , Yongcai Wang , Deying Li

Molecular communication is a biologically-inspired method of communication with attractive properties for microscale and nanoscale devices. In molecular communication, messages are transmitted by releasing a pattern of molecules at a…

Information Theory · Computer Science 2008-12-09 Andrew W. Eckford

A hybrid mesoscopic multi-particle collision model is used to study diffusion-influenced reaction kinetics. The mesoscopic particle dynamics conserves mass, momentum and energy so that hydrodynamic effects are fully taken into account.…

Chemical Physics · Physics 2007-05-23 Kay Tucci , Raymond Kapral

Acid-base reactions are ubiquitous in nature. Understanding their mechanisms is crucial in many fields, from biochemistry to industrial catalysis. Unfortunately, experiments only give limited information without much insight into the…

Chemical Physics · Physics 2022-06-08 Emanuele Grifoni , GiovanniMaria Piccini , Michele Parrinello
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