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In diffusion-based communication, as for molecular systems, the achievable data rate is very low due to the slow nature of diffusion and the existence of severe inter-symbol interference (ISI). Multiple-input multiple-output (MIMO)…

Information Theory · Computer Science 2018-01-23 S. Mohammadreza Rouzegar , Umberto Spagnolini

This paper presents a fast computational method, the Expectation Maximization algorithm, for Maximum Likelihood (ML) estimation in diffusion tensor imaging under the Rice noise model. We further extend the ML framework to the maximum a…

Computation · Statistics 2015-01-09 Jia Liu , Dario Gasbarra , Juha Railavo

Molecular dynamics (MD) is a widely-used tool for simulating the molecular and materials properties. It is a common wisdom that molecular dynamics simulations should obey physical laws and, hence, lots of effort is put into ensuring that…

Chemical Physics · Physics 2023-08-23 Lina Zhang , Yi-Fan Hou , Fuchun Ge , Pavlo O. Dral

We address the problem of efficiently computing Wasserstein distances for multiple pairs of distributions drawn from a meta-distribution. To this end, we propose a fast estimation method based on regressing Wasserstein distance on sliced…

Machine Learning · Statistics 2026-03-04 Khai Nguyen , Hai Nguyen , Nhat Ho

In this paper, we consider queueing systems where the dynamics are non-stationary and state-dependent. For performance analysis of these systems, fluid and diffusion models have been typically used. Although they are proven to be…

Probability · Mathematics 2016-09-08 Young Myoung Ko , Natarajan Gautam

This paper proposes a novel imperfect spherical transmitter (TX) model, namely the membrane fusion (MF)-based TX, that adopts MF between a vesicle and the TX membrane to release molecules encapsulated within the vesicle. For the MF-based…

Emerging Technologies · Computer Science 2021-02-17 Xinyu Huang , Yuting Fang , Adam Noel , Nan Yang

The use of terahertz (THz) communications with massive multiple input multiple output (MIMO) systems in 6G can potentially provide high data rates and low latency communications. However, accurate channel estimation in THz frequencies…

Networking and Internet Architecture · Computer Science 2025-12-05 Kitae Kim , Yan Kyaw Tun , Md. Shirajum Munir , Chirsto Kurisummoottil Thomas , Walid Saad , Choong Seon Hong

Aqueous solid-liquid interfaces (SLI) are ubiquitous in nature and technology, often hosting molecular-level processes with macroscopic consequences. Molecular dynamics (MD) simulations offer a tool of choice to investigate interfacial…

Soft Condensed Matter · Physics 2025-08-12 Mahdi Tavakol , Kislon Voïtchovsky

Experiments of cell migration and chemotaxis assays have been classically performed in the so-called Boyden Chambers. A recent technology, xCELLigence Real Time Cell Analysis, is now allowing to monitor the cell migration in real time. This…

Molecular communication (MC) is a communication paradigm in which information is conveyed through the controlled release, propagation, and reception of molecules. Many envisioned healthcare applications of MC are expected to operate inside…

Emerging Technologies · Computer Science 2026-04-10 Theofilos Symeonidis , Fardad Vakilipoor , Robert Schober , Nunzio Tuccitto , Maximilian Schäfer

Molecular communication (MC), one of the emerging techniques in the field of communication, is entering a new phase following several decades of foundational research. Recently, attention has shifted toward MC in liquid media, particularly…

Information Theory · Computer Science 2025-06-03 Yun-Feng Lo , Changmin Lee , Chan-Byoung Chae

Employing Bayesian inference to calibrate constitutive model parameters has grown substantially in recent years. Among the available techniques, Markov Chain Monte Carlo (MCMC) sampling remains one of the most widely used approaches for…

Computational Engineering, Finance, and Science · Computer Science 2026-04-02 Aricia Rinkens , Rodrigo L. S. Silva , Erik Quaeghebeur , Nick Jaensson , Clemens Verhoosel

Efficient information processing is crucial for both living organisms and engineered systems. The mutual information rate, a core concept of information theory, quantifies the amount of information shared between the trajectories of input…

Molecular Networks · Quantitative Biology 2025-09-01 Manuel Reinhardt , Age J. Tjalma , Anne-Lena Moor , Christoph Zechner , Pieter Rein ten Wolde

A near-field motion parameter estimation method is proposed. In contract to far-field sensing systems, the near-field sensing system leverages spherical-wave characteristics to enable full-vector location and velocity estimation. Despite…

Signal Processing · Electrical Eng. & Systems 2025-07-18 Chunwei Meng , Zhaolin Wang , Zhiqing Wei , Yuanwei Liu , Zhiyong Feng

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…

Emerging Technologies · Computer Science 2018-08-14 Mauro Femminella , Gianluca Reali , Athanasios V. Vasilakos

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

Mobile contact tracing apps are -- in principle -- a perfect aid to condemn the human-to-human spread of an infectious disease such as COVID-19 due to the wide use of smartphones worldwide. Yet, the unknown accuracy of contact estimation by…

Information Retrieval · Computer Science 2021-05-06 Bernhard Etzlinger , Barbara Nußbaummüller , Philipp Peterseil , Karin Anna Hummel

Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations have been developed to simulate molecular systems, where an explicit description of changes in the electronic structure is necessary. However, QM/MM MD…

Chemical Physics · Physics 2021-04-15 Lennard Böselt , Moritz Thürlemann , Sereina Riniker

Training data are usually limited or heterogeneous in many chemical and biological applications. Existing machine learning models for chemistry and materials science fail to consider generalizing beyond training domains. In this article, we…

Machine Learning · Computer Science 2023-10-31 Fang Wu , Nicolas Courty , Shuting Jin , Stan Z. Li

Despite linear regression being the most popular statistical modelling technique, in real-life we often need to deal with situations where the true relationship between the response and the covariates is nonlinear in parameters. In such…

Methodology · Statistics 2026-01-21 Suryasis Jana , Abhik Ghosh
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