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Conditional Neural Processes (CNP; Garnelo et al., 2018) are an attractive family of meta-learning models which produce well-calibrated predictions, enable fast inference at test time, and are trainable via a simple maximum likelihood…

Machine Learning · Computer Science 2021-10-19 Stratis Markou , James Requeima , Wessel Bruinsma , Richard Turner

We introduce the framework of continuous--depth graph neural networks (GNNs). Graph neural ordinary differential equations (GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of…

Machine Learning · Computer Science 2021-06-23 Michael Poli , Stefano Massaroli , Junyoung Park , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

Partial differential equations (PDEs) form the backbone of simulations of many natural phenomena, for example in climate modeling, material science, and even financial markets. The application of physics-informed neural networks to…

Quantum Physics · Physics 2026-04-17 Nils Klement , Veronika Eyring , Mierk Schwabe

The theory-guided neural network (TgNN) is a kind of method which improves the effectiveness and efficiency of neural network architectures by incorporating scientific knowledge or physical information. Despite its great success, the…

Machine Learning · Computer Science 2022-06-14 Miao Rong , Dongxiao Zhang , Nanzhe Wang

Physics-based deep learning frameworks have shown to be effective in accurately modeling the dynamics of complex physical systems with generalization capability across problem inputs. However, time-independent problems pose the challenge of…

Machine Learning · Computer Science 2023-03-29 Rini Jasmine Gladstone , Helia Rahmani , Vishvas Suryakumar , Hadi Meidani , Marta D'Elia , Ahmad Zareei

Reliable predictions of critical phenomena, such as weather, wildfires and epidemics often rely on models described by Partial Differential Equations (PDEs). However, simulations that capture the full range of spatio-temporal scales…

Machine Learning · Computer Science 2025-02-13 Jan-Philipp von Bassewitz , Sebastian Kaltenbach , Petros Koumoutsakos

We present a hybrid particle/grid approach for simulating incompressible fluids on collocated velocity grids. We interchangeably use particle and grid representations of transported quantities to balance efficiency and accuracy. A novel…

Approximation of functions satisfying partial differential equations (PDEs) is paramount for simulation of physical fluid flows and other problems in physics. Recently, physics-informed machine learning approaches have proven useful as a…

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

The great success of Physics-Informed Neural Networks (PINN) in solving partial differential equations (PDEs) has significantly advanced our simulation and understanding of complex physical systems in science and engineering. However, many…

Numerical Analysis · Mathematics 2024-09-10 Hao Zhang , Longxiang Jiang , Xinkun Chu , Yong Wen , Luxiong Li , Yonghao Xiao , Liyuan Wang

Nonlinear partial differential equations (PDEs) are pivotal in modeling complex physical systems, yet traditional Physics-Informed Neural Networks (PINNs) often struggle with unresolved residuals in critical spatiotemporal regions and…

Machine Learning · Computer Science 2026-04-03 Ziyang Zhang , Feifan Zhang , Weidong Tang , Lei Shi , Tailai Chen

Partial differential equations (PDEs) govern a wide range of physical phenomena, but their numerical solution remains computationally demanding, especially when repeated simulations are required across many parameter settings. Recent…

Machine Learning · Computer Science 2026-05-13 Hamda Hmida , Hsiu-Wen Chang Joly , Youssef Mesri

We leverage physics-embedded differentiable graph network simulators (GNS) to accelerate particulate and fluid simulations to solve forward and inverse problems. GNS represents the domain as a graph with particles as nodes and learned…

Geophysics · Physics 2023-09-26 Krishna Kumar , Yongjin Choi

This study presents a novel unsupervised convolutional Neural Network (NN) architecture with nonlocal interactions for solving Partial Differential Equations (PDEs). The nonlocal Peridynamic Differential Operator (PDDO) is employed as a…

Machine Learning · Computer Science 2023-03-22 A. Mavi , A. C. Bekar , E. Haghighat , E. Madenci

Embedding parameterized optimization problems as layers into machine learning architectures serves as a powerful inductive bias. Training such architectures with stochastic gradient descent requires care, as degenerate derivatives of the…

Machine Learning · Computer Science 2024-12-16 Anselm Paulus , Georg Martius , Vít Musil

We present the partial evolutionary tensor neural networks (pETNNs), a novel framework for solving time-dependent partial differential equations with high accuracy and capable of handling high-dimensional problems. Our architecture…

Numerical Analysis · Mathematics 2025-12-08 Tunan Kao , He Zhang , Lei Zhang , Jin Zhao

A novel particle tracking method based on a convolutional neural network (CNN) is proposed to improve the efficiency of Lagrangian-Eulerian (L-E) approaches. Relying on the successive neighbor search (SNS) method for particle tracking, the…

Computational Physics · Physics 2024-12-25 Xuan Luo , Zichao Jiang , Yi Zhang , Qinghe Yao , Zhuolin Wang , Gengchao Yang , Bohua Huang

We develop and implement two realizations of quantum graph neural networks (QGNN), applied to the task of particle interaction simulation. The first QGNN is a speculative quantum-classical hybrid learning model that relies on the ability to…

Time-varying vector fields produced by computational fluid dynamics simulations are often prohibitively large and pose challenges for accurate interactive analysis and exploration. To address these challenges, reduced Lagrangian…

Machine Learning · Computer Science 2022-04-11 Mengjiao Han , Sudhanshu Sane , Chris R. Johnson

This paper proposes a physics-guided recurrent neural network model (PGRNN) that combines RNNs and physics-based models to leverage their complementary strengths and improve the modeling of physical processes. Specifically, we show that a…

Computational Physics · Physics 2019-02-01 Xiaowei Jia , Jared Willard , Anuj Karpatne , Jordan Read , Jacob Zwart , Michael Steinbach , Vipin Kumar