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We propose a Kolmogorov-Arnold Representation-based Hamiltonian Neural Network (KAR-HNN) that replaces the Multilayer Perceptrons (MLPs) with univariate transformations. While Hamiltonian Neural Networks (HNNs) ensure energy conservation by…

Machine Learning · Computer Science 2025-08-28 Zongyu Wu , Ruichen Xu , Luoyao Chen , Georgios Kementzidis , Siyao Wang , Yuefan Deng

Hypergraph neural networks (HGNNs) have shown remarkable potential in modeling high-order relationships that naturally arise in many real-world data domains. However, existing HGNNs often suffer from shallow propagation, oversmoothing, and…

Machine Learning · Computer Science 2026-04-14 Zhiheng Zhou , Mengyao Zhou , Xixun Lin , Xingqin Qi , Guiying Yan

Hamilton's equations of motion form a fundamental framework in various branches of physics, including astronomy, quantum mechanics, particle physics, and climate science. Classical numerical solvers are typically employed to compute the…

Machine Learning · Computer Science 2024-10-25 Priscilla Canizares , Davide Murari , Carola-Bibiane Schönlieb , Ferdia Sherry , Zakhar Shumaylov

This work introduces a new framework integrating port-Hamiltonian systems (PHS) and neural network architectures. This framework bridges the gap between deterministic and stochastic modeling of complex dynamical systems. We introduce new…

Mathematical Physics · Physics 2025-09-09 Luca Di Persio , Matthias Ehrhardt , Youness Outaleb , Sofia Rizzotto

The physics-informed neural network (PINN) is effective in solving the partial differential equation (PDE) by capturing the physics constraints as a part of the training loss function through the Automatic Differentiation (AD). This study…

Computational Physics · Physics 2022-02-17 Zixue Xiang , Wei Peng , Weien Zhou , Wen Yao

Solving partial differential equations (PDEs) is the canonical approach for understanding the behavior of physical systems. However, large scale solutions of PDEs using state of the art discretization techniques remains an expensive…

Computational Engineering, Finance, and Science · Computer Science 2021-01-14 Xiaoxuan Zhang , Krishna Garikipati

We propose a neural network-based meta-learning method to efficiently solve partial differential equation (PDE) problems. The proposed method is designed to meta-learn how to solve a wide variety of PDE problems, and uses the knowledge for…

Machine Learning · Statistics 2023-10-23 Tomoharu Iwata , Yusuke Tanaka , Naonori Ueda

Deep neural networks (DNN) have been used to model nonlinear relations between physical quantities. Those DNNs are embedded in physical systems described by partial differential equations (PDE) and trained by minimizing a loss function that…

Numerical Analysis · Mathematics 2020-02-26 Kailai Xu , Eric Darve

Hamilton's equations are fundamental for modeling complex physical systems, where preserving key properties such as energy and momentum is crucial for reliable long-term simulations. Geometric integrators are widely used for this purpose,…

Machine Learning · Computer Science 2026-03-17 Priscilla Canizares , Davide Murari , Carola-Bibiane Schönlieb , Ferdia Sherry , Zakhar Shumaylov

We develop a new Bayesian framework based on deep neural networks to be able to extrapolate in space-time using historical data and to quantify uncertainties arising from both noisy and gappy data in physical problems. Specifically, the…

Machine Learning · Computer Science 2022-03-14 Xuhui Meng , Liu Yang , Zhiping Mao , Jose del Aguila Ferrandis , George Em Karniadakis

In recent years, deep learning for modeling physical phenomena which can be described by partial differential equations (PDEs) have received significant attention. For example, for learning Hamiltonian mechanics, methods based on deep…

Machine Learning · Computer Science 2025-02-28 Baige Xu , Yusuke Tanaka , Takashi Matsubara , Takaharu Yaguchi

The effectiveness of the Physics Informed Neural Networks (PINNs) for learning the dynamics of constrained Hamiltonian systems is demonstrated using the Dirac theory of constraints for regular systems with holonomic constraints and systems…

Computational Physics · Physics 2025-02-10 Dimitrios A. Kaltsas

Neural Stochastic Differential Equations (Neural SDEs) provide a principled framework for modeling continuous-time stochastic processes and have been widely adopted in fields ranging from physics to finance. Recent advances suggest that…

Machine Learning · Computer Science 2026-03-17 Yuanjian Xu , Yuan Shuai , Jianing Hao , Guang Zhang

We propose a physics-informed neural networks (PINNs) framework to solve the infinite-horizon optimal control problem of nonlinear systems. In particular, since PINNs are generally able to solve a class of partial differential equations…

Systems and Control · Electrical Eng. & Systems 2025-05-29 Filippos Fotiadis , Kyriakos G. Vamvoudakis

Concise, accurate descriptions of physical systems through their conserved quantities abound in the natural sciences. In data science, however, current research often focuses on regression problems, without routinely incorporating…

Computational Physics · Physics 2020-02-05 Tom Bertalan , Felix Dietrich , Igor Mezić , Ioannis G. Kevrekidis

Solving partial differential equations (PDEs) with neural networks (NNs) has shown great potential in various scientific and engineering fields. However, most existing NN solvers mainly focus on satisfying the given PDE formulas in the…

Machine Learning · Computer Science 2025-08-08 Gaohang Chen , Lili Ju , Zhonghua Qiao

The unprecedented predictive success of deep generative models in complex many-body systems, such as AlphaFold3, raises an epistemological question: do these networks merely memorize data distributions via high-dimensional interpolation, or…

Disordered Systems and Neural Networks · Physics 2026-05-18 Wenjie Xi , Wei-Qiang Chen

Inferring parameters of high-dimensional partial differential equations (PDEs) poses significant computational and inferential challenges, primarily due to the curse of dimensionality and the inherent limitations of traditional numerical…

Computational Engineering, Finance, and Science · Computer Science 2025-09-18 Weihao Yan , Christoph Brune , Mengwu Guo

Physical transport processes organize through local interactions that redistribute imbalance while preserving conservation. Classical solvers enforce this organization by applying fixed discrete operators on rigid grids. We introduce the…

Adaptation and Self-Organizing Systems · Physics 2026-03-19 Gunjan Auti , Hirofumi Daiguji , Gouhei Tanaka

This paper proposes Hamiltonian Learning, a novel unified framework for learning with neural networks "over time", i.e., from a possibly infinite stream of data, in an online manner, without having access to future information. Existing…

Machine Learning · Computer Science 2024-09-19 Stefano Melacci , Alessandro Betti , Michele Casoni , Tommaso Guidi , Matteo Tiezzi , Marco Gori
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