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Deep learning has proven to yield fast and accurate predictions of quantum-chemical properties to accelerate the discovery of novel molecules and materials. As an exhaustive exploration of the vast chemical space is still infeasible, we…

Machine Learning · Statistics 2020-01-10 Niklas W. A. Gebauer , Michael Gastegger , Kristof T. Schütt

We report a detailed and systematic study of wave propagation through a stochastic absorbing random medium. Stochastic absorption is modeled by introducing an attenuation constant per unit length $\alpha$ in the free propagation region of…

Disordered Systems and Neural Networks · Physics 2007-05-23 Sandeep K. Joshi , Debendranath Sahoo , A. M. Jayannavar

Beam management is central in the operation of dense 5G cellular networks. Focusing the energy radiated to mobile terminals (MTs) by increasing the number of beams per cell increases signal power and decreases interference, and has hence…

Generalized spatial modulation (GSM) is a spectral-efficient technique used in multiple-input multiple-output (MIMO) wireless communications when the number of radio frequency chains at the transmitter is less than the number of transmit…

Information Theory · Computer Science 2020-08-11 Lakshit Singla , Lakshmi Natarajan

To understand the spatial deployment of base stations (BSs) is the first step to analyze the performance of cellular networks and further design efficient networking protocols. Poisson point process (PPP), which has been widely adopted to…

Information Theory · Computer Science 2018-11-20 Rongpeng Li , Zhifeng Zhao , Yi Zhong , Chen Qi , Honggang Zhang

In quorum sensing (QS), bacteria exchange molecular signals to work together. An analytically-tractable model is presented for characterizing QS signal propagation within a population of bacteria and the number of responsive cooperative…

Information Theory · Computer Science 2020-09-03 Yuting Fang , Adam Noel , Andrew W. Eckford , Nan Yang , Jing Guo

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…

Machine Learning · Computer Science 2024-12-06 Xiang Chen

The design and analysis of diffusive molecular communication systems generally requires knowledge of the environment's physical and chemical properties. Furthermore, prospective applications might rely on the timely detection of changes in…

Information Theory · Computer Science 2015-11-20 Adam Noel , Karen C. Cheung , Robert Schober

Concurrent cooperative transmission for relaying purposes in mobile communication networks is relevant in current institutional systems with limited infrastructure, and and may be viewed as a potential range-extension mechanism for future…

Information Theory · Computer Science 2016-11-15 Spyridon Evangelatos , Aris L. Moustakas , Andreas Polydoros

Molecules with identical graph connectivity can exhibit different physical and biological properties if they exhibit stereochemistry-a spatial structural characteristic. However, modern neural architectures designed for learning…

Quantitative Methods · Quantitative Biology 2020-12-07 Lagnajit Pattanaik , Octavian-Eugen Ganea , Ian Coley , Klavs F. Jensen , William H. Green , Connor W. Coley

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…

Information Theory · Computer Science 2016-11-15 Marco Di Renzo

The rational design of molecules with desired properties is a long-standing challenge in chemistry. Generative neural networks have emerged as a powerful approach to sample novel molecules from a learned distribution. Here, we propose a…

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…

Information Theory · Computer Science 2020-01-01 Aritra Chatterjee , Suvra Sekhar Das

In this paper, we examine the benefits of multiple antenna communication in random wireless networks, the topology of which is modeled by stochastic geometry. The setting is that of the Poisson bipolar model introduced in [1], which is a…

Information Theory · Computer Science 2016-08-23 Junse Lee , Namyoon Lee , Francois Baccelli

Synaptic communication is studied by communication engineers for two main reasons. One is to enable novel neuroengineering applications that require interfacing with neurons. The other reason is to draw inspiration for the design of…

Neurons and Cognition · Quantitative Biology 2023-01-18 Sebastian Lotter , Michael T. Barros , Robert Schober , Maximilian Schäfer

We report a detailed and systematic study of wave propagation through a stochastic absorbing random medium. Stochastic absorption is modeled by introducing an attenuation constant per unit length $\alpha$ in the free propagation region of…

Disordered Systems and Neural Networks · Physics 2009-10-31 Sandeep K. Joshi , Debendranath Sahoo , A. M. Jayannavar

We consider representation learning of 3D molecular graphs in which each atom is associated with a spatial position in 3D. This is an under-explored area of research, and a principled message passing framework is currently lacking. In this…

Machine Learning · Computer Science 2022-11-28 Yi Liu , Limei Wang , Meng Liu , Xuan Zhang , Bora Oztekin , Shuiwang Ji

Synaptic communication is based on a biological Molecular Communication (MC) system which may serve as a blueprint for the design of synthetic MC systems. However, the physical modeling of synaptic MC is complicated by the possible…

Emerging Technologies · Computer Science 2021-07-19 Sebastian Lotter , Maximilian Schäfer , Johannes Zeitler , Robert Schober

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…

Biomolecules · Quantitative Biology 2024-07-16 Haitao Lin , Yufei Huang , Odin Zhang , Siqi Ma , Meng Liu , Xuanjing Li , Lirong Wu , Jishui Wang , Tingjun Hou , Stan Z. Li

This paper focuses on molecular communication (MC) systems using two types of signaling molecules which may participate in a reversible bimolecular reaction in the channel. The motivation for studying these MC systems is that they can…

Information Theory · Computer Science 2019-07-25 Vahid Jamali , Nariman Farsad , Robert Schober , Andrea Goldsmith
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