Related papers: Modeling Diffusive Dynamics in Adaptive Resolution…
Diffusive molecular dynamics is a novel model for materials with atomistic resolution that can reach diffusive time scales. The main ideas of diffusive molecular dynamics are to first minimize an approximate variational Gaussian free energy…
Diffusing wave spectroscopy (DWS) can be employed as an optical rheology tool with numerous applications for studying the structure, dynamics and linear viscoelastic properties of complex fluids, foams, glasses and gels. To carry out DWS…
Diffusion models (DMs) have demonstrated remarkable success in real-world image super-resolution (SR), yet their reliance on time-consuming multi-step sampling largely hinders their practical applications. While recent efforts have…
Underwater images often suffer from color distortion and low contrast resulting in various image types, due to the scattering and absorption of light by water. While it is difficult to obtain high-quality paired training samples with a…
Generative diffusion models have achieved remarkable success in producing high-quality images. However, these models typically operate in continuous intensity spaces, diffusing independently across pixels and color channels. As a result,…
Machine learning methods, such as diffusion models, are widely explored as a promising way to accelerate high-fidelity fluid dynamics computation via a super-resolution process from faster-to-compute low-fidelity input. However, existing…
We show feasibility and benefits of porting an adaptive multi-scale kinetic-fluid code to CPU-GPU systems. Challenges are due to the irregular data access for adaptive Cartesian mesh, vast difference of computational cost between kinetic…
Disordered molecular systems such as amorphous catalysts, organic thin films, electrolyte solutions, and water are at the cutting edge of computational exploration today. Traditional simulations of such systems at length-scales relevant to…
We describe a powerful methodology for numerical solution of 3-D self-gravitational hydrodynamics problems with extremely high resolution. Our method utilizes the technique of local adaptive mesh refinement (AMR), employing multiple grids…
Diffusion models have recently achieved remarkable performance in image super-resolution (SR), but their high computational cost limits practical deployment in remote sensing applications. To address this issue, we propose SlimDiffSR, a…
Diffusion-based generative processes, formulated as differential equation solving, frequently balance computational speed with sample quality. Our theoretical investigation of ODE- and SDE-based solvers reveals complementary weaknesses: ODE…
Capturing the correct dynamics at the Coarse-Grained (CG) scale remains a central challenge in the advancement of systematic CG models for soft matter simulations. The Generalized Langevin Equation (GLE), rooted in the Mori-Zwanzig…
Various bias-correction methods such as EXTRA, gradient tracking methods, and exact diffusion have been proposed recently to solve distributed {\em deterministic} optimization problems. These methods employ constant step-sizes and converge…
Computing accurate rate constants for catalytic events occurring at the surface of a given material represents a challenging task with multiple potential applications in chemistry. To address this question, we propose an approach based on a…
Satellites are widely used to estimate and monitor ground cover, providing critical information to address the challenges posed by climate change. High-resolution satellite images help to identify smaller features on the ground and…
Fluid transport across nanometric channels induced by electric, pressure and concentration gradients is ubiquitous in biological systems and fosters various applications. In this context, computer simulation setups with well-defined…
Diffusion models have gained significant popularity in the field of image-to-image translation. Previous efforts applying diffusion models to image super-resolution (SR) have demonstrated that iteratively refining pure Gaussian noise using…
We explore some aspects of the microscopic structure of curcumin solutions with water-dimethylsulfoxide solvent of variable composition. Molecular dynamics computer simulations at isobaric-isothermal conditions are used for this purpose.…
Complex fluids exhibit structure on a wide range of length and time scales, and hierarchical approaches are necessary to investigate all facets of their often unusual properties. The study of idealized coarse-grained models at different…
Magnetic resonance imaging technique known as DWI (diffusion-weighted imaging) allows measurement of water diffusivity on a pixel basis for evaluating pathology throughout the body and is now routinely incorporated into many body MRI…