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Molecular dynamics (MD) simulates the time evolution of atomic systems governed by interatomic forces, and the fidelity of these simulations depends critically on the underlying force model. Classical force fields (CFFs) rely on fixed…

Performance · Computer Science 2026-03-05 Udari De Alwis , Benjamin E. Mayer , Tom J. Ashby , Maria Barrera , Timon Evenblij , Joyjit Kundu

In diffusion-based molecular communication, information particles locomote via a diffusion process, characterized by random movement and heavy tail distribution for the random arrival time. As a result, the molecular communication shows…

Emerging Technologies · Computer Science 2017-04-05 Changmin Lee , H. Birkan Yilmaz , Chan-Byoung Chae , Nariman Farsad , Andrea Goldsmith

In diffusion-based molecular communication, information transport is governed by diffusion through a fluid medium. The achievable data rates for these channels are very low compared to the radio-based communication system, since diffusion…

Emerging Technologies · Computer Science 2016-03-15 Bon-Hong Koo , Changmin Lee , H. Birkan Yilmaz , Nariman Farsad , Andrew Eckford , Chan-Byoung Chae

We present a novel method for learning the weights of an artificial neural network - a Message Passing Learning Protocol (MPLP). In MPLP, we abstract every operations occurring in ANNs as independent agents. Each agent is responsible for…

Machine Learning · Computer Science 2020-07-06 Ettore Randazzo , Eyvind Niklasson , Alexander Mordvintsev

Molecular communication (MC) is an emerging paradigm that enables data transmission through biochemical signals rather than traditional electromagnetic waves. This approach is particularly promising for environments where conventional…

Information Theory · Computer Science 2025-03-17 Vida Gholamiyan , Yaning Zhao , Wafa Labidi , Holger Boche , Christian Deppe

Electron transmission through molecules and molecular interfaces has been a subject of intensive research due to recent interest in electron transfer phenomena underlying the operation of the scanning tunneling microscope (STM) on one hand,…

Condensed Matter · Physics 2015-06-24 Abraham Nitzan

To maintain homeostasis, living cells process information with networks of interacting molecules. Traditional models for cellular information processing have focused on networks of chemical reactions between molecules. Here, we describe how…

Biological Physics · Physics 2025-08-01 Arvind Murugan , David Zwicker , Charlotta Lorenz , Eric R. Dufresne

Recently, message-passing Neural networks (MPNN) provide a promising tool for dealing with molecular graphs and have achieved remarkable success in facilitating the discovery and materials design with desired properties. However, the…

Materials Science · Physics 2023-07-12 Hai Lan , Xian Wei

Information molecules play a crucial role in molecular communication (MC), acting as carriers for information transfer. A common approach to get information molecules in MC involves harvesting them from the environment; however, the…

Information Theory · Computer Science 2025-08-08 Dongliang Jing , Linjuan Li , Zhen Cheng , Lin Lin , Andrew W. Eckford

Molecular communication (MC) enables information exchange at the nano- and microscale, with applications in areas like drug delivery and health monitoring. These event-driven scenarios often require alternatives to traditional transmission.…

Information Theory · Computer Science 2025-06-18 Yaning Zhao , Luca Miszewski , Christian Deppe , Massimiliano Pierobon

The arrival of molecules in molecular communication via diffusion (MCvD) is a counting process, exhibiting by its nature binomial distribution. Even if the binomial process describes well the arrival of molecules, when considering…

Emerging Technologies · Computer Science 2014-10-29 H. Birkan Yilmaz , Chan-Byoung Chae , Burcu Tepekule , Ali E. Pusane

We provide a fundamental treatment of the molecular communication channel wherein "inscribed matter" is transmitted across a spatial gap to provide reliable signaling between a sender and receiver. Inscribed matter is defined as an ensemble…

Emerging Technologies · Computer Science 2020-09-22 Christopher Rose , Ismat Saira Mian

The analysis and design of advection-diffusion based molecular communication (MC) systems in cylindrical environments is of particular interest for applications such as micro-fluidics and targeted drug delivery in blood vessels. Therefore,…

Emerging Technologies · Computer Science 2020-07-06 Maximilian Schäfer , Wayan Wicke , Lukas Brand , Rudolf Rabenstein , Robert Schober

In this manuscript, a general method for deriving filtering algorithms that involve a network of interconnected Bayesian filters is proposed. This method is based on the idea that the processing accomplished inside each of the Bayesian…

Statistics Theory · Mathematics 2020-04-22 Giorgio M. Vitetta , Pasquale Di Viesti , Emilio Sirignano , Francesco Montorsi

Molecular communication in nature can incorporate a large number of nano-things in nanonetworks as well as demonstrate how nano-things communicate. This paper presents molecular communication where transmit nanomachines deliver information…

Information Theory · Computer Science 2019-11-05 Dung Phuong Trinh , Youngmin Jeong , Hyundong Shin , Moe Z. Win

Flow Matching enables simulation-free training of generative models on Riemannian manifolds, yet sampling typically still relies on numerically integrating a probability-flow ODE. We propose Riemannian MeanFlow (RMF), extending MeanFlow to…

Machine Learning · Computer Science 2026-05-21 Zichen Zhong , Haoliang Sun , Yukun Zhao , Yongshun Gong , Yilong Yin

Molecular communication (MC) can enable the transfer of information between nanomachines using molecules as the information carrier. In MC systems, multiple receiver nanomachines often co-exist in the same communication channel to serve…

Information Theory · Computer Science 2022-12-07 Nithin V. Sabu , Abhishek K. Gupta , Neeraj Varshney , Anshuman Jindal

Mean flow (MeanFlow) enables efficient, high-fidelity image generation, yet its single-function evaluation (1-NFE) generation often cannot yield compelling results. We address this issue by introducing RMFlow, an efficient multimodal…

Machine Learning · Computer Science 2026-02-03 Yuhao Huang , Shih-Hsin Wang , Andrea L. Bertozzi , Bao Wang

In this paper, we present a new approach to interpret deep learning models. By coupling mutual information with network science, we explore how information flows through feedforward networks. We show that efficiently approximating mutual…

Machine Learning · Computer Science 2020-05-05 Brian Davis , Umang Bhatt , Kartikeya Bhardwaj , Radu Marculescu , José M. F. Moura

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