Related papers: Model reduction for molecular diffusion in nanopor…
We have developed and tested a simplified but versatile numerical model of nanoparticles' aggregation using Langevin dynamics. The model is particularly capable of simulating aggregation in an evaporating (or condensing) microdroplet. It…
Many theoretical and experimental results show that solute transport in heterogeneous porous media exhibits multi-scaling behaviors. To describe such non-Fickian diffusions, this work provides a distributed order Hausdorff diffusion model…
The comb model is a simplified description for anomalous diffusion under geometric constraints. It represents particles spreading out in a two-dimensional space where the motions in the x-direction are allowed only when the y coordinate of…
Generative diffusion models apply the concept of Langevin dynamics in physics to machine leaning, attracting a lot of interests from engineering, statistics and physics, but a complete picture about inherent mechanisms is still lacking. In…
The critical dimension necessary for a flame to propagate in suspensions of fuel particles in oxidizer is studied analytically and numerically. Two types of models are considered: First, a continuum model, wherein the individual particulate…
Score-based diffusion models have demonstrated remarkable empirical success in learning high-dimensional distributions, particularly those exhibiting low-dimensional and multi-modal structures. However, theoretical understanding of their…
We introduce stochastic models for continuous-time evolution of angles and develop their estimation. We focus on studying Langevin diffusions with stationary distributions equal to well-known distributions from directional statistics, since…
Advances in nanotechnology have allowed scientists to study biological processes on an unprecedented nanoscale molecule-by-molecule basis, opening the door to addressing many important biological problems. A phenomenon observed in recent…
We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their…
Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…
Self-similar solutions of the coherent diffusion equation are derived and measured. The set of real similarity solutions is generalized by the introduction of a nonuniform phase surface, based on the elegant Gaussian modes of optical…
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…
Probing the transport of fluids within confined domains is important in many areas including material science, catalysis, food science, and cell biology. The diffusion propagator fully characterizes the diffusion process, which is highly…
Understanding how colloids move in crowded environments is key for gaining control over their transport in applications such as drug delivery, filtration, contaminant/microplastic remediation and agriculture. The classical models of colloid…
Recent advancements in the ability to construct three-dimensional (3D) tissues and organoids from stem cells and biomaterials have not only opened abundant new research avenues in disease modeling and regenerative medicine but also have…
We propose a theoretical model which relies on the generalized Langevin equation and may account for various dynamical features of the thermal motion of organelles, vesicles or macromolecules in viscoelastic media such as polymer networks.…
Diffusion-based generative models provide a powerful framework for learning to sample from a complex target distribution. The remarkable empirical success of these models applied to high-dimensional signals, including images and video,…
This paper studies thermal transport in nanoporous silicon with a significant specific surface area. First, the equilibrium molecular dynamics approach was used to obtain the dependence of thermal conductivity on a specific surface area.…
Denoising diffusion models, a class of generative models, have garnered immense interest lately in various deep-learning problems. A diffusion probabilistic model defines a forward diffusion stage where the input data is gradually perturbed…
Diffusion coefficient measurements are important for many biological and material investigations, such as particle dynamics, kinetics, and size determinations. Amongst current measurement methods, single particle tracking (SPT) offers the…