Related papers: Analyzing Large-Scale Multiuser Molecular Communic…
n this work, we propose a latent molecular diffusion model that can make the generated 3D molecules rich in diversity and maintain rich geometric features. The model captures the information of the forces and local constraints between atoms…
In this paper, a methodology is proposed that enables to analyze the sensitivity of the outcome of a therapy to unavoidable high dispersion of the patient specific parameters on one hand and to the choice of the parameters that define the…
In this paper, we consider a molecular diffusion based communications link that conveys information on the macro-scale (several metres). The motivation is to apply molecular-based communications to challenging electromagnetic environments.…
Generating molecules that bind to specific proteins is an important but challenging task in drug discovery. Previous works usually generate atoms in an auto-regressive way, where element types and 3D coordinates of atoms are generated one…
In recent times, the use of stochastic geometry has become a popular and important tool for performance analysis of next-generation dense small cell wireless networks. Usually, such networks are modeled using 2 dimensional spatial Poisson…
Particle size measurement based on digital holography with conventional algorithms are usually time-consuming and susceptible to noises associated with hologram quality and particle complexity, limiting its usage in a broad range of…
Introduction: molecular geometry, the three-dimensional arrangement of atoms within a molecule, is fundamental to understanding chemical reactivity, physical properties, and biological activity. The prevailing models used to describe…
In this work, we describe the first modular, and programmable platform capable of transmitting a text message using chemical signalling -- a method also known as molecular communication. This form of communication is attractive for…
In this paper, we present an analytical framework to derive the performance of a molecular communication system where a transmitter bio-nano-machine (TBN) is communicating with a fully-absorbing spherical receiver bio-nano-machine (RBN) in…
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…
The ubiquity of information transmission via molecular communication between cells is comprehensively documented on Earth; this phenomenon might even have played a vital role in the origin(s) and early evolution of life. Motivated by these…
This survey paper focuses on modulation aspects of molecular communication, an emerging field focused on building biologically-inspired systems that embed data within chemical signals. The primary challenges in designing these systems are…
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,…
We apply a recently developed framework for analyzing the convergence of stochastic algorithms to the general problem of large-scale nonconvex composite optimization more generally, and nonconvex likelihood maximization in particular. Our…
This paper considers the scenario of a targeted drug delivery system, which consists of deploying a number of biological nanomachines close to a biological target (e.g. a tumor), able to deliver drug molecules in the diseased area. Suitably…
In this paper, a new mathematical framework to the analysis of millimeter wave cellular networks is introduced. Its peculiarity lies in considering realistic path-loss and blockage models, which are derived from recently reported…
The goal of structure-based drug discovery is to find small molecules that bind to a given target protein. Deep learning has been used to generate drug-like molecules with certain cheminformatic properties, but has not yet been applied to…
Satellite networks are promising to provide ubiquitous and high-capacity global wireless connectivity. Traditionally, satellite networks are modeled by placing satellites on a grid of multiple circular orbit geometries. Such a network…
Molecular communication (MC) is a concept in communication engineering, where diffusive molecules are used to transmit information between nano or micro-scale chemical reaction systems. Engineering MC to control the reaction systems in…
In this paper, with the aid of the mathematical tool of stochastic geometry, we introduce analytical and computational frameworks for the distribution of three different definitions of delay, i.e., the time that it takes for a user to…