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Knowing a biomolecule's structure is inherently linked to and a prerequisite for any detailed understanding of its function. Significant effort has gone into developing technologies for structural characterization. These technologies do not…

Data Structures and Algorithms · Computer Science 2017-06-22 Michael Wegner , Oskar Taubert , Alexander Schug , Henning Meyerhenke

This paper develops a molecular integrated sensing and communication (ISAC) framework that exploits the same molecular observations for physical-parameter sensing and data detection. As a representative instantiation, we consider a…

Signal Processing · Electrical Eng. & Systems 2026-05-05 Ruifeng Zheng , Pengjie Zhou , Martín Schottlender , Veronika Volkova , Juan A. Cabrera , Frank H. P. Fitzek , Pit Hofmann

Energy harvesting is a technology for enabling green, sustainable, and autonomous wireless networks. In this paper, a large-scale wireless network with energy harvesting transmitters is considered, where a group of transmitters forms a…

Information Theory · Computer Science 2015-11-12 Talha Ahmed Khan , Philip Orlik , Kyeong Jin Kim , Robert W. Heath , Kentaro Sawa

Generating molecular structures with desired properties is a critical task with broad applications in drug discovery and materials design. We propose 3M-Diffusion, a novel multi-modal molecular graph generation method, to generate diverse,…

Machine Learning · Computer Science 2024-10-04 Huaisheng Zhu , Teng Xiao , Vasant G Honavar

This paper discusses a simple stochastic model for the spread of messages in a large population with two types of individuals: transmitters and receivers. Transmitters, after receiving the message, start spreading copies of the message to…

Probability · Mathematics 2017-02-24 Pekka Aalto , Lasse Leskelä

Synthetic molecular communication (MC) is a new communication engineering paradigm which is expected to enable revolutionary applications such as smart drug delivery and real-time health monitoring. The design and implementation of…

A molecule's 2D representation consists of its atoms, their attributes, and the molecule's covalent bonds. A 3D (geometric) representation of a molecule is called a conformer and consists of its atom types and Cartesian coordinates. Every…

In this paper an analytical model is introduced to describe the impulse response of the diffusive channel between a pointwise transmitter and a given fully-absorbing (FA) receiver in a molecular communication (MC) system. The presence of…

Information Theory · Computer Science 2021-11-25 Marco Ferrari , Fardad Vakilipoor , Eric Regonesi , Mariangela Rapisarda , Maurizio Magarini

Strategies to improve the predicting performance of Message-Passing Neural-Networks for molecular property predictions can be achieved by simplifying how the message is passed and by using descriptors that capture multiple aspects of…

Machine Learning · Computer Science 2025-10-22 Alma C. Castaneda-Leautaud , Rommie E. Amaro

Generative models, especially diffusion models (DMs), have achieved promising results for generating feature-rich geometries and advancing foundational science problems such as molecule design. Inspired by the recent huge success of Stable…

Machine Learning · Computer Science 2023-05-03 Minkai Xu , Alexander Powers , Ron Dror , Stefano Ermon , Jure Leskovec

In this paper, we propose a semantic communication approach based on probabilistic graphical model (PGM). The proposed approach involves constructing a PGM from a training dataset, which is then shared as common knowledge between the…

Machine Learning · Computer Science 2024-08-09 Haowen Wan , Qianqian Yang , Jiancheng Tang , Zhiguo shi

A molecule's geometry, also known as conformation, is one of a molecule's most important properties, determining the reactions it participates in, the bonds it forms, and the interactions it has with other molecules. Conventional…

Machine Learning · Computer Science 2020-01-01 Elman Mansimov , Omar Mahmood , Seokho Kang , Kyunghyun Cho

This paper presents a novel spatially consistent approach for modeling line-of-sight (LOS) paths in vehicular networks. We use stochastic geometry to model transmitters, obstacles, and receivers located in three parallel lines,…

Information Theory · Computer Science 2021-08-25 Chang-Sik Choi , François Baccelli

Compressive sensing is a signal acquisition framework based on the revelation that a small collection of linear projections of a sparse signal contains enough information for stable recovery. In this paper we introduce a new theory for…

Information Theory · Computer Science 2009-01-23 Dror Baron , Marco F. Duarte , Michael B. Wakin , Shriram Sarvotham , Richard G. Baraniuk

Convenient variational formula for collective diffusion of many particles adsorbed at lattices of arbitrary geometry is formulated. The approach allows to find the expressions for the diffusion coefficient for any value of the system's…

Statistical Mechanics · Physics 2018-07-04 Marcin Mińkowski , Magdalena A. Załuska--Kotur

In this paper, we study the performance of detectors in a diffusive molecular communication environment where steady uniform flow is present. We derive the expected number of information molecules to be observed in a passive spherical…

Information Theory · Computer Science 2014-10-17 Adam Noel , Karen C. Cheung , Robert Schober

Device-to-device (D2D) communications are now considered as an integral part of future 5G networks which will enable direct communication between user equipment (UE) without unnecessary routing via the network infrastructure. This…

Information Theory · Computer Science 2016-05-12 Young Jin Chun , Simon L. Cotton , Harpreet S. Dhillon , Ali Ghrayeb , Mazen O. Hasna

Molecular communication (MC) is a model of information transmission where the signal is transmitted by information-carrying molecules through their physical transport from a transmitter to a receiver through a communication channel. Prior…

Statistical Mechanics · Physics 2026-05-05 Phanindra Dewan , Sumantra Sarkar

This survey paper focuses on the estimation schemes in molecular communication (MC) systems. The existing studies in estimation schemes can be divided into parameter estimation (e.g., distance, diffusion coefficient, and flow velocity) and…

Information Theory · Computer Science 2021-07-20 Xinyu Huang , Yuting Fang , Nan Yang

We develop a unified framework for distributed inference, semantic communication, and exploration in spatial networks by integrating stochastic geometry with information geometry - a direction that has not been explored in prior literature.…

Information Theory · Computer Science 2025-08-26 Gourab Ghatak