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In this paper, we present splitting algorithms to solve multicomponent transport models with Maxwell-Stefan-diffusion approaches. The multicomponent models are related to transport problems, while we consider plasma processes, in which the…
Dynamic contrast-enhanced magnetic resonance imaging (DCE- MRI) is a widely used multi-phase technique routinely used in clinical practice. DCE and similar datasets of dynamic medical data tend to contain redundant information on the…
Accurate and efficient plasma models are essential to understand and control experimental devices. Existing magnetohydrodynamic or kinetic models are nonlinear, computationally intensive, and can be difficult to interpret, while often only…
Diffusion phenomena in a multiple component lattice Boltzmann Equation (LBE) model are discussed in detail. The mass fluxes associated with different mechanical driving forces are obtained using a Chapman-Enskog analysis. This model is…
As the demand for more descriptive machine learning models grows within medical imaging, bottlenecks due to data paucity will exacerbate. Thus, collecting enough large-scale data will require automated tools to harvest data/label pairs from…
We propose communication-efficient distributed estimation and inference methods for the transelliptical graphical model, a semiparametric extension of the elliptical distribution in the high dimensional regime. In detail, the proposed…
This paper utilizes compartmental analysis and a statistical optimization technique in order to reduce a compartmental model describing the metabolism of labelled glucose in liver. Specifically, we first design a compartmental model for the…
We present an explicit method for simulating stochastic differential equations (SDEs) that have variable diffusion coefficients and satisfy the detailed balance condition with respect to a known equilibrium density. In Tupper and Yang…
Liquid water is fundamentally important, and its accurate computer simulation has been the driving force for myriad methodological developments. Ab initio molecular dynamics with forces obtained from density functional theory (DFT) is now a…
We develop an efficient approach to evaluate range-separated exact exchange for grid or plane-wave based representations within the Generalized Kohn-Sham DFT (GKS-DFT) framework. The Coulomb kernel is fragmented in reciprocal space, and we…
In this paper, we study the estimation of drift and diffusion coefficients in a two dimensional system of N interacting particles modeled by a degenerate stochastic differential equation. We consider both complete and partial observation…
Diffusion Transformers (DiTs) have demonstrated strong performance in generative modeling, particularly in image synthesis, making them a compelling choice for molecular conformer generation. However, applying DiTs to molecules introduces…
In this manuscript, we extend the variational multiscale enrichment (VME) method to model the dynamic response of hyperelastic materials undergoing large deformations. This approach enables the simulation of wave propagation under…
Dynamical evolution and electromagnetically induced transparency (EIT) is investigated here in a three-level $\lambda$-type atomic system including near-dipole-dipole interaction among atoms. The system is driven by the probe and coupling…
Motivated by a range of biological applications related to the transport of molecules in cells, we present a modular framework to treat first-passage problems for diffusion in partitioned spaces. The spatial domains can differ with respect…
Distributed statistical learning has become a popular technique for large-scale data analysis. Most existing work in this area focuses on dividing the observations, but we propose a new algorithm, DDAC-SpAM, which divides the features under…
In radiotherapy, the internal movement of organs between treatment sessions causes errors in the final radiation dose delivery. Motion models can be used to simulate motion patterns and assess anatomical robustness before delivery.…
The Diffusion Probabilistic Model (DPM) has recently gained popularity in the field of computer vision, thanks to its image generation applications, such as Imagen, Latent Diffusion Models, and Stable Diffusion, which have demonstrated…
Utilizing the Pauli equation based multislice method, introduced in Phys. Rev. Lett. 116, 127203 (2016), we study the atomic resolution differential phase contrast (DPC) imaging on an example of a hard magnet FePt with in-plane…
Introduction: Quantification of dynamic contrast-enhanced (DCE)-MRI has the potential to provide valuable clinical information, but robust pharmacokinetic modeling remains a challenge for clinical adoption. Methods: A 7-layer neural network…