English
Related papers

Related papers: Modelling Gas-Phase Reaction Kinetics with Guided …

200 papers

We consider the problem of solving partial differential equations (PDEs) in domains with complex microparticle geometry that is impractical, or intractable, to model explicitly. Drawing inspiration from volume rendering, we propose tackling…

Graphics · Computer Science 2025-06-11 Bailey Miller , Rohan Sawhney , Keenan Crane , Ioannis Gkioulekas

The application of Stochastic Differential Equations (SDEs) to the analysis of temporal data has attracted increasing attention, due to their ability to describe complex dynamics with physically interpretable equations. In this paper, we…

Machine Learning · Statistics 2017-08-09 Constantino A. García , Abraham Otero , Paulo Félix , Jesús Presedo , David G. Márquez

We introduce a novel, training-free method for sampling differentiable representations (diffreps) using pretrained diffusion models. Rather than merely mode-seeking, our method achieves sampling by "pulling back" the dynamics of the…

Computer Vision and Pattern Recognition · Computer Science 2024-12-11 Yash Savani , Marc Finzi , J. Zico Kolter

Fractional kinetic equations employ non-integer calculus to model anomalous relaxation and diffusion in many systems. While this approach is well explored, it so far failed to describe an important class of transport in disordered systems.…

Statistical Mechanics · Physics 2021-01-04 Wanli Wang , Eli Barkai

The convergence of a family of AMF-Runge-Kutta methods (in short AMF-RK) for the time integration of evolutionary Partial Differential Equations (PDEs) of Advection Diffusion Reaction type semi-discretized in space is considered. The…

Numerical Analysis · Mathematics 2015-01-13 Severiano Gonzalez Pinto , Domingo Hernandez Abreu , Soledad Perez Rodriguez

Diffusion models provide expressive priors for forecasting trajectories of dynamical systems, but are typically unreliable in the sparse data regime. Physics-informed machine learning (PIML) improves reliability in such settings; however,…

Machine Learning · Computer Science 2026-01-30 Kaiyuan Tan , Kendra Givens , Peilun Li , Thomas Beckers

This paper explores the challenges and benefits of a trainable destruction process in diffusion samplers -- diffusion-based generative models trained to sample an unnormalised density without access to data samples. Contrary to the majority…

Physics-Informed Neural Networks (PINNs) are machine learning tools that approximate the solution of general partial differential equations (PDEs) by adding them in some form as terms of the loss/cost function of a Neural Network. Most…

Numerical Analysis · Mathematics 2022-08-29 Antonio Tadeu Azevedo Gomes , Larissa Miguez da Silva , Frederic Valentin

Pretrained diffusion models provide powerful learned priors, but in scientific sampling the target distribution often depends on physical context that is not fully represented by one generative model. We introduce Generative Gibbs for…

Machine Learning · Computer Science 2026-05-12 Weizhou Wang , Jonathan Weare , Aaron R. Dinner

We have studied the front propagation in a one dimensional case of combustion by solving numerically an advection-reaction-diffusion equation. The physical model is simplified so that no coupling phenomena are considered and the reacting…

Fluid Dynamics · Physics 2011-04-07 Federico Bianco , Sergio Chibbaro , Roger Prud'homme

Mixed reality applications require tracking the user's full-body motion to enable an immersive experience. However, typical head-mounted devices can only track head and hand movements, leading to a limited reconstruction of full-body motion…

Computer Vision and Pattern Recognition · Computer Science 2023-04-24 Angela Castillo , Maria Escobar , Guillaume Jeanneret , Albert Pumarola , Pablo Arbeláez , Ali Thabet , Artsiom Sanakoyeu

Heat transfer in a fluid can be greatly enhanced by natural convection, giving rise to the nuanced relationship between the Nusselt number and Rayleigh number that has been a focus of modern fluid dynamics. Our work explores convection in…

Fluid Dynamics · Physics 2025-07-24 Yuejia Zhang , Nicholas J. Moore , Jinzi Mac Huang

Stochastic simulation methods can be applied successfully to model exact spatio-temporally resolved reaction-diffusion systems. However, in many cases, these methods can quickly become extremely computationally intensive with increasing…

Quantitative Methods · Quantitative Biology 2016-04-29 Jonathan U. Harrison , Christian A. Yates

In this study a stabilized finite element method for solving advection-diffusion-reaction equation with spatially variable coefficients has been carried out. Here subgrid scale approach along with algebraic approximation to the sub-scales…

Analysis of PDEs · Mathematics 2018-12-18 Manisha Chowdhury , B. V. Rathish Kumar

We devised a first order time stepping ensemble hybridizable discontinuous Galerkin (HDG) method for a group of parameterized convection diffusion PDEs with different initial conditions, body forces, boundary conditions and coefficients in…

Numerical Analysis · Mathematics 2019-10-24 Gang Chen , Liangya Pi , Yangwen Zhang

This paper studies a longitudinal shape transformation model in which shapes are deformed in response to an internal growth potential that evolves according to an advection reaction diffusion process. This model extends prior works that…

Analysis of PDEs · Mathematics 2021-01-19 Dai-Ni Hsieh , Sylvain Arguillère , Nicolas Charon , Laurent Younes

The interaction of a protein with its environment can be understood and controlled via its 3D structure. Experimental methods for protein structure determination, such as X-ray crystallography or cryogenic electron microscopy, shed light on…

Machine Learning · Computer Science 2025-04-24 Axel Levy , Eric R. Chan , Sara Fridovich-Keil , Frédéric Poitevin , Ellen D. Zhong , Gordon Wetzstein

Large scale text-guided diffusion models have garnered significant attention due to their ability to synthesize diverse images that convey complex visual concepts. This generative power has more recently been leveraged to perform text-to-3D…

Computer Vision and Pattern Recognition · Computer Science 2023-09-20 Etai Sella , Gal Fiebelman , Peter Hedman , Hadar Averbuch-Elor

The measured spatiotemporal response of various physical processes is utilized to infer the governing partial differential equations (PDEs). We propose SimultaNeous Basis Function Approximation and Parameter Estimation (SNAPE), a technique…

Machine Learning · Computer Science 2021-09-17 Sutanu Bhowmick , Satish Nagarajaiah

A fractional diffusion equation with advection term is rigorously derived from a kinetic transport model with a linear turning operator, featuring a fat-tailed equilibrium distribution and a small directional bias due to a given vector…

Analysis of PDEs · Mathematics 2015-10-19 Pedro Aceves-Sanchez , Christian Schmeiser