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We derive effective lattice models for ultracold bosonic or fermionic nonreactive molecules (NRMs) in an optical lattice, analogous to the Hubbard model that describes ultracold atoms in a lattice. In stark contrast to the Hubbard model,…

量子气体 · 物理学 2016-04-06 Andris Doçaj , Michael L. Wall , Rick Mukherjee , Kaden R. A. Hazzard

Chemical reaction networks (CRN) comprise an important class of models to understand biological functions such as cellular information processing, the robustness and control of metabolic pathways, circadian rhythms, and many more. However,…

分子网络 · 定量生物学 2025-03-25 Dimitri Loutchko , Yuki Sughiyama , Tetsuya J. Kobayashi

The change from the diffusion-limited to the reaction-limited cooperative behaviour in reaction-diffusion systems is analysed by comparing the universal long-time behaviour of the coagulation-diffusion process on a chain and on the Bethe…

统计力学 · 物理学 2018-10-29 Dmytro Shapoval , Maxym Dudka , Xavier Durang , Malte Henkel

We propose a novel numerical approach for nonlocal diffusion equations [8] with integrable kernels, based on the relationship between the backward Kolmogorov equation and backward stochastic differential equations (BSDEs) driven by L\`{e}vy…

数值分析 · 数学 2015-07-28 Guannan Zhang , Weidong Zhao , Clayton Webster , Max Gunzburger

We prove the convergence of an adaptive mixed finite element method (AMFEM) for (nonsymmetric) convection-diffusion-reaction equations. The convergence result holds from the cases where convection or reaction is not present to convection-or…

数值分析 · 数学 2015-03-26 Shaohong Du , Xiaoping Xie

In this paper we present a high-order kernel method for numerically solving diffusion and reaction-diffusion partial differential equations (PDEs) on smooth, closed surfaces embedded in $\mathbb{R}^d$. For two-dimensional surfaces embedded…

数值分析 · 数学 2012-06-04 Edward J. Fuselier , Grady B. Wright

We propose a solution formula for chemical diffusion master equations of birth and death type. These equations, proposed and formalized in the recent paper [5], aim at incorporating the spatial diffusion of molecules into the description…

概率论 · 数学 2023-02-22 Alberto Lanconelli , Berk Tan Perçin , Mauricio J. del Razo

In this work, we derive particle schemes, based on micro-macro decomposition, for linear kinetic equations in the diffusion limit. Due to the particle approximation of the micro part, a splitting between the transport and the collision part…

数值分析 · 数学 2017-01-19 Anaïs Crestetto , Nicolas Crouseilles , Mohammed Lemou

We study how to extend the use of the diffusion model to answer the causal question from the observational data under the existence of unmeasured confounders. In Pearl's framework of using a Directed Acyclic Graph (DAG) to capture the…

机器学习 · 计算机科学 2023-12-15 Tatsuhiro Shimizu

The Drift-Diffusion Model (DDM) is widely used in neuropsychological studies to understand the decision process by incorporating both reaction times and subjects' responses. Various models have been developed to estimate DDM parameters,…

应用统计 · 统计学 2025-07-03 Zekai Jin , Yaakov Stern , Seonjoo Lee

Convection-diffusion-reaction equations are a class of second-order partial differential equations widely used to model phenomena involving the change of concentration/population of one or more substances/species distributed in space.…

Reaction networks have been widely used as generic models in diverse areas of applied sciences, such as biology, chemistry, ecology, epidemiology, and computer science. A reaction network incorporating noisy effects is modeled as a…

分子网络 · 定量生物学 2026-05-12 Chuang Xu

Masked diffusion models (MDMs) have emerged as a promising approach for language modeling, yet they face a performance gap compared to autoregressive models (ARMs) and require more training iterations. In this work, we present the…

机器学习 · 计算机科学 2026-01-26 Mahdi Karami , Ali Ghodsi

We present a multiscale approach to model diffusion in a crowded environment and its effect on the reaction rates. Diffusion in biological systems is often modeled by a discrete space jump process in order to capture the inherent noise of…

亚细胞过程 · 定量生物学 2016-03-18 Lina Meinecke

Q-conditional symmetries (nonclassical symmetries) for a general class of two-component reaction-diffusion systems with constant diffusivities are studied. Using the recently introduced notion of Q-conditional symmetries of the first type…

数学物理 · 物理学 2019-09-17 Roman Cherniha , Vasyl' Davydovych

Originating from the pioneering study of Alan Turing, the bifurcation analysis predicting spatial pattern formation from a spatially uniform state for diffusing morphogens or chemical species that interact through nonlinear reactions is a…

斑图形成与孤子 · 物理学 2023-01-18 Merlin Pelz , Michael J. Ward

We study the one-dimensional Fermi gas subject to dissipative reactions. The dynamics is governed by the quantum master equation, where the Hamiltonian describes coherent motion of the particles, while dissipation accounts for irreversible…

统计力学 · 物理学 2026-04-06 Hannah Lehr , Igor Lesanovsky , Gabriele Perfetto

Diffusion models have emerged as a powerful class of generative models for molecular design, capable of capturing complex structural distributions and achieving high fidelity in 3D molecule generation. However, their widespread use remains…

机器学习 · 计算机科学 2026-01-15 Adrita Das , Peiran Jiang , Dantong Zhu , Barnabas Poczos , Jose Lugo-Martinez

We perform a fast-reaction limit for a linear reaction-diffusion system consisting of two diffusion equations coupled by a linear reaction. We understand the linear reaction-diffusion system as a gradient flow of the free energy in the…

偏微分方程分析 · 数学 2020-12-07 Artur Stephan

Systems of reaction-diffusion partial differential equations (RD-PDEs) are widely applied for modelling life science and physico-chemical phenomena. In particular, the coupling between diffusion and nonlinear kinetics can lead to the…

数值分析 · 数学 2019-03-13 Maria Chiara D'Autilia , Ivonne Sgura , Valeria Simoncini
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