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A Markov state model is a powerful tool that can be used to track the evolution of populations of configurations in an atomistic representation of a protein. For a coarse-grained linear chain model with discontinuous interactions, the…

Soft Condensed Matter · Physics 2024-02-06 Margarita Colberg , Jeremy Schofield

Discrete diffusion has recently emerged as a promising paradigm in discrete data modeling. However, existing methods typically rely on a fixed rate transition matrix during training, which not only limits the expressiveness of latent…

Machine Learning · Computer Science 2025-05-27 Hengli Li , Yuxuan Wang , Song-Chun Zhu , Ying Nian Wu , Zilong Zheng

We present a channel-constrained Markovian quantum diffusion (CCMQD) model that prepares quantum states by rigorously framing the generative process within the dynamics of open quantum systems. Our model interprets the forward diffusion…

Quantum Physics · Physics 2025-11-18 Qin-Sheng Zhu , Geng Chen , Lian-Hui Yu , Xiaodong Xing , Xiao-Yu Li

Diffusion models (DMs) have achieved remarkable success across various domains owing to their strong generative and denoising capabilities. Meanwhile, semantic communication based on neural joint source-channel coding (JSCC) has emerged as…

Signal Processing · Electrical Eng. & Systems 2026-03-25 Yoon Huh , Jeongho Kang , Wan Choi

In this paper, we consider a diffusive mobile molecular communication (MC) system consisting of a pair of mobile transmitter and receiver nano-machines suspended in a fluid medium, where we model the mobility of the nano-machines by…

Information Theory · Computer Science 2017-04-24 Arman Ahmadzadeh , Vahid Jamali , Robert Schober

Molecular simulations can provide microscopic insight into the physical and chemical driving forces of complex molecular processes. Despite continued advancement of simulation methodology, model errors may lead to inconsistencies between…

Chemical Physics · Physics 2016-02-12 Joseph F. Rudzinski , Kurt Kremer , Tristan Bereau

Diffusion processes are instrumental to describe the movement of a continuous quantity in a generic network of interacting agents. Here, we present a probabilistic framework for diffusion in networks and propose to classify agent…

Social and Information Networks · Computer Science 2015-08-28 Wai Hong Ronald Chan , Matthias Wildemeersch , Tony Q. S. Quek

Probabilistic generative models based on measure transport, such as diffusion and flow-based models, are often formulated in the language of Markovian stochastic dynamics, where the choice of the underlying process impacts both algorithmic…

Machine Learning · Computer Science 2026-04-06 Yinuo Ren , Grant M. Rotskoff , Lexing Ying

In this paper, we propose an end-to-end channel model for molecular communication systems with metal-oxide sensors. In particular, we focus on the recently developed table top molecular communication platform. The system is separated into…

Emerging Technologies · Computer Science 2015-03-11 Na-Rae Kim , Nariman Farsad , Chan-Byoung Chae , Andrew W. Eckford

By considering potential health problems that a fully covering receiver may cause in vessel-like environments, the implementation of a partially covering receiver is needed. To this end, distribution of hitting location of messenger…

Emerging Technologies · Computer Science 2018-02-06 Meriç Turan , Mehmet Sukru Kuran , H. Birkan Yilmaz , Ilker Demirkol , Tuna Tugcu

We consider molecular communication networks consisting of transmitters and receivers distributed in a fluidic medium. In such networks, a transmitter sends one or more signalling molecules, which are diffused over the medium, to the…

Computational Engineering, Finance, and Science · Computer Science 2015-03-20 Chun Tung Chou

The derivation of suitable analytical models is an important step for the design and analysis of molecular communication systems. However, many existing models have limited applicability in practical scenarios due to various simplifications…

Emerging Technologies · Computer Science 2019-11-28 Maximilian Schäfer , Wayan Wicke , Werner Haselmayr , Rudolf Rabenstein , Robert Schober

This work presents algebraic closure models associated with advective transport and nonlinear reactions in a Reynolds-averaged Navier-Stokes context for a system of species subject to binary reactions and transport by advection and…

Fluid Dynamics · Physics 2021-11-29 Omkar B. Shende , Ali Mani

We propose and analyse a model predictive control (MPC) strategy tailored for networks of underwater agents tasked with maintaining formation while following a shared path and using acoustic communication channels. The strategy accommodates…

Optimization and Control · Mathematics 2024-10-22 Emil Wengle , Damiano Varagnolo

Mathematically modeling complex transport phenomena at the molecular level can be a powerful tool for identifying transport mechanisms and predicting macroscopic properties. We use two different stochastic time series models, parameterized…

Soft Condensed Matter · Physics 2020-09-11 Benjamin J. Coscia , Michael R. Shirts

Reaction-diffusion systems have been proposed as a model for pattern formation and morphogenesis. The Fickian diffusion typically employed in these constructions model the Brownian motion of particles. The biological and chemical elements…

Quantitative Methods · Quantitative Biology 2023-11-09 Siddhartha Srivastava , Krishna Garikipati

This paper proposes a control theoretic framework to model and analyze the self-organized pattern formation of molecular concentrations in biomolecular communication networks, emerging applications in synthetic biology. In biomolecular…

Molecular Networks · Quantitative Biology 2019-01-08 Yutaka Hori , Hiroki Miyazako , Soichiro Kumagai , Shinji Hara

Many complex systems have natural representations as multi-layer networks. While these formulations retain more information than standard single-layer network models, there is not yet a fully developed theory for computing network metrics…

Social and Information Networks · Computer Science 2017-03-17 Daryl R. DeFord , Scott D. Pauls

Diffusions are a fundamental class of models in many fields, including finance, engineering, and biology. Simulating diffusions is challenging as their sample paths are infinite-dimensional and their transition functions are typically…

Methodology · Statistics 2021-06-11 Paul A. Jenkins , Murray Pollock , Gareth O. Roberts , Michael Sørensen

This paper develops a tractable analytical channel model for first-hitting-time molecular communication (MC) systems under time-varying drift. While existing studies of nonstationary transport rely primarily on numerical solutions of…

Information Theory · Computer Science 2026-03-30 Yen-Chi Lee