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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,…

Quantum Gases · Physics 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,…

Molecular Networks · Quantitative Biology 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…

Statistical Mechanics · Physics 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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 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…

Probability · Mathematics 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…

Numerical Analysis · Mathematics 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…

Machine Learning · Computer Science 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,…

Applications · Statistics 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.…

Numerical Analysis · Mathematics 2024-10-16 Rasha Al Jahdali , David C. Del Rey Fernandez , Lisandro Dalcin , Matteo Parsani

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…

Molecular Networks · Quantitative Biology 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…

Machine Learning · Computer Science 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…

Subcellular Processes · Quantitative Biology 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…

Mathematical Physics · Physics 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…

Pattern Formation and Solitons · Physics 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…

Statistical Mechanics · Physics 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…

Machine Learning · Computer Science 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…

Analysis of PDEs · Mathematics 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…

Numerical Analysis · Mathematics 2019-03-13 Maria Chiara D'Autilia , Ivonne Sgura , Valeria Simoncini
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