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Neuroscientists fit morphologically and biophysically detailed neuron simulations to physiological data, often using evolutionary algorithms. However, such gradient-free approaches are computationally expensive, making convergence slow when…

Neurons and Cognition · Quantitative Biology 2024-07-23 Ilenna Simone Jones , Konrad Paul Kording

Solving parametric Partial Differential Equations (PDEs) for a broad range of parameters is a critical challenge in scientific computing. To this end, neural operators, which \textcolor{black}{predicts the PDE solution with variable PDE…

Numerical Analysis · Mathematics 2024-11-14 Weiheng Zhong , Hadi Meidani

Diffusion models have achieved state-of-the-art performance across multiple domains, with recent advancements extending their applicability to discrete data. However, aligning discrete diffusion models with task-specific preferences remains…

Machine Learning · Computer Science 2025-04-10 Umberto Borso , Davide Paglieri , Jude Wells , Tim Rocktäschel

Neural Ordinary Differential Equations (Neural ODEs) are the continuous analog of Residual Neural Networks (ResNets). We investigate whether the discrete dynamics defined by a ResNet are close to the continuous one of a Neural ODE. We first…

Machine Learning · Computer Science 2022-09-16 Michael E. Sander , Pierre Ablin , Gabriel Peyré

Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel…

Machine Learning · Computer Science 2023-05-24 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv

Diffusion models have recently emerged as powerful stochastic frameworks for high-dimensional inference and generation. However, existing applications to partial differential equations (PDEs) predominantly rely on physics-informed training…

Numerical Analysis · Mathematics 2026-04-03 Yi Bing , Liu Jia , Fu Jinyang , Peng Xiang

Physics-Informed Neural Networks (PINNs) and Neural Ordinary Differential Equations (NODEs) represent two distinct machine learning frameworks for modeling nonlinear neuronal dynamics. This study systematically evaluates their performance…

Dynamical Systems · Mathematics 2026-03-31 Nikolaos M. Matzakos , Chrisovalantis Sfyrakis

Non-equilibrium chemistry is a key process in the study of the InterStellar Medium (ISM), in particular the formation of molecular clouds and thus stars. However, computationally it is among the most difficult tasks to include in…

Astrophysics of Galaxies · Physics 2022-12-07 Lorenzo Branca , Andrea Pallottini

In this work, we generalize the reaction-diffusion equation in statistical physics, Schr\"odinger equation in quantum mechanics, Helmholtz equation in paraxial optics into the neural partial differential equations (NPDE), which can be…

Machine Learning · Computer Science 2024-10-11 Ping Guo , Kaizhu Huang , Zenglin Xu

We present a novel approach (DyNODE) that captures the underlying dynamics of a system by incorporating control in a neural ordinary differential equation framework. We conduct a systematic evaluation and comparison of our method and…

Machine Learning · Computer Science 2020-09-10 Victor M. Martinez Alvarez , Rareş Roşca , Cristian G. Fălcuţescu

Ordinary Differential Equations (ODEs) are widely used in physics, chemistry, and biology to model dynamic systems, including reaction kinetics, population dynamics, and biological processes. In this work, we integrate GPU-accelerated ODE…

Machine Learning · Computer Science 2024-12-02 Rakshit Kr. Singh , Aaron Rock Menezes , Rida Irfan , Bharath Ramsundar

We propose a methodology that combines generative latent diffusion models with physics-informed machine learning to generate solutions of parametric partial differential equations (PDEs) conditioned on partial observations, which includes,…

Machine Learning · Computer Science 2026-02-11 Davide Gallon , Philippe von Wurstemberger , Patrick Cheridito , Arnulf Jentzen

This study investigates the use of continuous-time dynamical systems for sparse signal recovery. The proposed dynamical system is in the form of a nonlinear ordinary differential equation (ODE) derived from the gradient flow of the Lasso…

Information Theory · Computer Science 2023-03-30 Tadashi Wadayama , Ayano Nakai-Kasai

Neural Ordinary Differential Equation (Neural ODE) has been proposed as a continuous approximation to the ResNet architecture. Some commonly used regularization mechanisms in discrete neural networks (e.g. dropout, Gaussian noise) are…

Machine Learning · Computer Science 2019-06-07 Xuanqing Liu , Tesi Xiao , Si Si , Qin Cao , Sanjiv Kumar , Cho-Jui Hsieh

Differential equations are frequently used in engineering domains, such as modeling and control of industrial systems, where safety and performance guarantees are of paramount importance. Traditional physics-based modeling approaches…

Systems and Control · Electrical Eng. & Systems 2020-11-30 Aaron Tuor , Jan Drgona , Draguna Vrabie

Species transport models typically combine partial differential equations (PDEs) with relations from hindered transport theory to quantify electromigrative, convective, and diffusive transport through complex nanoporous systems; however,…

Machine Learning · Computer Science 2023-12-06 Danyal Rehman , John H. Lienhard

A neural ordinary differential equation (neural ODE) is a machine learning model that is commonly described as a continuous-depth generalization of a residual network (ResNet) with a single residual block, or conversely, the ResNet can be…

Machine Learning · Computer Science 2025-10-14 Abdelrahman Sayed Sayed , Pierre-Jean Meyer , Mohamed Ghazel

Neural ordinary differential equations are an attractive option for modelling temporal dynamics. However, a fundamental issue is that the solution to an ordinary differential equation is determined by its initial condition, and there is no…

Machine Learning · Computer Science 2020-11-06 Patrick Kidger , James Morrill , James Foster , Terry Lyons

To better understand and improve the behavior of neural networks, a recent line of works bridged the connection between ordinary differential equations (ODEs) and deep neural networks (DNNs). The connections are made in two folds: (1) View…

Machine Learning · Computer Science 2019-11-05 Xinshi Chen

The neural Ordinary Differential Equation (ODE) model has shown success in learning complex continuous-time processes from observations on discrete time stamps. In this work, we consider the modeling and forecasting of time series data that…

Machine Learning · Statistics 2023-06-05 Yixuan Tan , Liyan Xie , Xiuyuan Cheng