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There has been a wave of interest in applying machine learning to study dynamical systems. We present a Hamiltonian neural network that solves the differential equations that govern dynamical systems. This is an equation-driven machine…

Computational Physics · Physics 2022-07-01 Marios Mattheakis , David Sondak , Akshunna S. Dogra , Pavlos Protopapas

Representing and learning from graphs is essential for developing effective machine learning models tailored to non-Euclidean data. While Graph Neural Networks (GNNs) strive to address the challenges posed by complex, high-dimensional graph…

Quantum Physics · Physics 2025-01-15 Wenxuan Wang

Accurately estimating spatially heterogeneous elasticity parameters, particularly Young's modulus and Poisson's ratio, from noisy displacement measurements remains significantly challenging in inverse elasticity problems. Existing inverse…

Machine Learning · Computer Science 2025-06-19 Tatthapong Srikitrungruang , Matthew Lemon , Sina Aghaee Dabaghan Fard , Jaesung Lee , Yuxiao Zhou

Solving inverse problems in dynamical systems governed by high-dimensional coupled ordinary differential equations (ODEs) is a ubiquitous challenge in scientific machine learning. In many real-world applications, researchers seek to uncover…

Machine Learning · Computer Science 2026-05-06 Zhao Wei , Kenneth Hor Cheng Koh , Sheng Yuan Chin , James Chun Yip Chan , Chin Chun Ooi , Yew-Soon Ong

Reconstructing a system Hamiltonian through measurements on its eigenstates is an important inverse problem in quantum physics. Recently, it was shown that generic many-body local Hamiltonians can be recovered by local measurements without…

Quantum Physics · Physics 2022-02-14 Chenfeng Cao , Shi-Yao Hou , Ningping Cao , Bei Zeng

Characterizing quantum systems by learning their underlying Hamiltonians is a central task in quantum information science. While recent algorithmic advances have achieved near-optimal efficiency in this task, they critically rely on…

Quantum Physics · Physics 2026-05-01 Myeongjin Shin , Junseo Lee , Changhun Oh

Physics-Informed Neural Networks (PINNs) show significant potential for solving inverse problems, especially when observations are limited and sparse, provided that the relevant physical equations are known. We use PINNs to estimate smooth…

Numerical Analysis · Mathematics 2025-08-06 Moises Sierpe , Ernesto Castillo , Hernan Mella , Felipe Galarce

Binary Neural Networks are a promising technique for implementing efficient deep models with reduced storage and computational requirements. The training of these is however, still a compute-intensive problem that grows drastically with the…

Although the no-u-turn sampler (NUTS) is a widely adopted method for performing Bayesian inference, it requires numerous posterior gradients which can be expensive to compute in practice. Recently, there has been a significant interest in…

Machine Learning · Statistics 2022-09-21 Somayajulu L. N. Dhulipala , Yifeng Che , Michael D. Shields

Accurate amine property prediction is essential for optimizing CO2 capture efficiency in post-combustion processes. Quantum machine learning (QML) can enhance predictive modeling by leveraging superposition, entanglement, and interference…

Quantum Physics · Physics 2025-06-24 Hyein Cho , Jeonghoon Kim , Hocheol Lim

Accurately learning the temporal behavior of dynamical systems requires models with well-chosen learning biases. Recent innovations embed the Hamiltonian and Lagrangian formalisms into neural networks and demonstrate a significant…

Machine Learning · Computer Science 2021-10-04 Shaan Desai , Marios Mattheakis , David Sondak , Pavlos Protopapas , Stephen Roberts

The past few years have witnessed an increased interest in learning Hamiltonian dynamics in deep learning frameworks. As an inductive bias based on physical laws, Hamiltonian dynamics endow neural networks with accurate long-term…

Machine Learning · Computer Science 2022-03-02 Zhijie Chen , Mingquan Feng , Junchi Yan , Hongyuan Zha

We introduce HAML (Hamiltonian Adaptation via Meta-Learning), a framework for fast online adaptation of effective Hamiltonian models of superconducting quantum processors. HAML proceeds in two phases. A supervised training phase uses an…

Quantum Physics · Physics 2026-04-29 Arielle Sanford , Andrew T. Kamen , Frederic T. Chong , Andy J. Goldschmidt

The utilization of Deep Neural Networks (DNNs) in physical science and engineering applications has gained traction due to their capacity to learn intricate functions. While large datasets are crucial for training DNN models in fields like…

Machine Learning · Computer Science 2025-08-05 Vamsi Sai Krishna Malineni , Suresh Rajendran

Physics-informed neural networks (PINNs) offer a unified framework for solving both forward and inverse problems of differential equations, yet their performance and physical consistency strongly depend on how governing laws are…

Machine Learning · Computer Science 2026-03-31 Guojie Li , Liu Hong

Data-driven modeling of physical systems often relies on learning both positions and momenta to accurately capture Hamiltonian dynamics. However, in many practical scenarios, only position measurements are readily available. In this work,…

Computational Physics · Physics 2025-05-06 Ruichen Xu , Zongyu Wu , Luoyao Chen , Georgios Kementzidis , Siyao Wang , Haochun Wang , Yiwei Shi , Yuefan Deng

Physics-Informed Neural Networks (PINNs) have emerged as a powerful tool for integrating physics-based constraints and data to address forward and inverse problems in machine learning. Despite their potential, the implementation of PINNs…

Optimization and Control · Mathematics 2024-12-19 Alan Williams , Christopher Leon , Alexander Scheinker

The fundamental laws of physics are intrinsically geometric, dictating the evolution of systems through principles of symmetry and conservation. While modern machine learning offers powerful tools for modeling complex dynamics from data,…

Machine Learning · Computer Science 2025-07-22 Amine Mohamed Aboussalah , Abdessalam Ed-dib

Even though neural networks enjoy widespread use, they still struggle to learn the basic laws of physics. How might we endow them with better inductive biases? In this paper, we draw inspiration from Hamiltonian mechanics to train models…

Neural and Evolutionary Computing · Computer Science 2019-09-06 Sam Greydanus , Misko Dzamba , Jason Yosinski

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