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We develop a statistical method to learn a molecular Hamiltonian matrix from a time-series of electron density matrices. We extend our previous method to larger molecular systems by incorporating physical properties to reduce…

Chemical Physics · Physics 2021-08-03 Prachi Gupta , Harish S. Bhat , Karnamohit Ranka , Christine M. Isborn

With the fast development of quantum technology, the sizes of both digital and analog quantum systems increase drastically. In order to have better control and understanding of the quantum hardware, an important task is to characterize the…

Quantum Physics · Physics 2023-07-05 Wenjun Yu , Jinzhao Sun , Zeyao Han , Xiao Yuan

Imitation learning from large multi-task demonstration datasets has emerged as a promising path for building generally-capable robots. As a result, 1000s of hours have been spent on building such large-scale datasets around the globe.…

Humans expertly navigate the world by building rich internal models founded on an intuitive understanding of physics. Meanwhile, despite training on vast quantities of internet video data, state-of-the-art deep learning models still fall…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Ellen Su , Solim Legris , Todd M. Gureckis , Mengye Ren

Imitation learning is an effective approach for autonomous systems to acquire control policies when an explicit reward function is unavailable, using supervision provided as demonstrations from an expert, typically a human operator.…

Machine Learning · Computer Science 2018-06-20 YuXuan Liu , Abhishek Gupta , Pieter Abbeel , Sergey Levine

Real-world robotic applications, from autonomous exploration to assistive technologies, require adaptive, interpretable, and data-efficient learning paradigms. While deep learning architectures and foundation models have driven significant…

Robotics · Computer Science 2025-06-11 Octavio Arriaga , Rebecca Adam , Melvin Laux , Lisa Gutzeit , Marco Ragni , Jan Peters , Frank Kirchner

Learning disentangled representations is a key step towards effectively discovering and modelling the underlying structure of environments. In the natural sciences, physics has found great success by describing the universe in terms of…

Machine Learning · Computer Science 2020-10-27 Robin Quessard , Thomas D. Barrett , William R. Clements

This paper offers a pedestrian guide from the fundamental properties of entropy to the axioms of thermodynamics, which are a consequence of the axiom of statistical physics. It also dismantles flawed concepts, such as assigning physical…

Statistical Mechanics · Physics 2024-07-08 Mario Graml , Michael Riedl

A key tenet of the Transactional Interpretation of Quantum Mechanics is the idea that photon absorption localizes the absorbing material system. In doing so, it measures the location of the absorber and hence reduces information entropy,…

Quantum Physics · Physics 2024-12-31 Andreas Schlatter , R. E. Kastner

This paper presents a method for learning Hamiltonian dynamics from a limited set of data points. The Hamiltonian vector field is found by regularized optimization over a reproducing kernel Hilbert space of vector fields that are inherently…

Robotics · Computer Science 2024-11-05 Torbjørn Smith , Olav Egeland

Forecasting of time-series data requires imposition of inductive biases to obtain predictive extrapolation, and recent works have imposed Hamiltonian/Lagrangian form to preserve structure for systems with reversible dynamics. In this work…

Computational Physics · Physics 2021-06-25 Kookjin Lee , Nathaniel A. Trask , Panos Stinis

Variational data assimilation optimizes for an initial state of a dynamical system such that its evolution fits observational data. The physical model can subsequently be evolved into the future to make predictions. This principle is a…

Machine Learning · Computer Science 2021-05-21 Thomas Frerix , Dmitrii Kochkov , Jamie A. Smith , Daniel Cremers , Michael P. Brenner , Stephan Hoyer

The ability to explain decisions made by machine learning models remains one of the most significant hurdles towards widespread adoption of AI in highly sensitive areas such as medicine, cybersecurity or autonomous driving. Great interest…

Machine Learning · Computer Science 2024-12-17 Maximilian P Niroomand , David J Wales

A generic data-assisted control architecture within the port-Hamiltonian framework is proposed, introducing a physically meaningful observable that links conservative dynamics to all actuation, dissipation, and disturbance channels. A…

Systems and Control · Electrical Eng. & Systems 2025-09-12 Mostafa Eslami , Maryam Babazadeh

We develop a data-driven framework for discovering constitutive relations in models of fluid flow and scalar transport. Under the assumption that velocity and/or scalar fields are measured, our approach infers unknown closure terms in the…

Fluid Dynamics · Physics 2026-01-01 Suguru Shiratori , Elham Kiyani , Khemraj Shukla , George Em Karniadakis

We present a framework designed to learn the underlying dynamics between two images observed at consecutive time steps. The complex nature of image data and the lack of temporal information pose significant challenges in capturing the…

Machine Learning · Computer Science 2023-10-17 Jihun Han , Yoonsang Lee , Anne Gelb

We develop the argument that the Gibbs-von Neumann entropy is the appropriate statistical mechanical generalisation of the thermodynamic entropy, for macroscopic and microscopic systems, whether in thermal equilibrium or not, as a…

Quantum Physics · Physics 2008-01-23 O. J. E. Maroney

We are interested in learning models of intuitive physics similar to the ones that animals use for navigation, manipulation and planning. In addition to learning general physical principles, however, we are also interested in learning ``on…

Computer Vision and Pattern Recognition · Computer Science 2019-05-28 Sébastien Ehrhardt , Aron Monszpart , Niloy J. Mitra , Andrea Vedaldi

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

Recent research has extended methods from the fields of thermodynamics and statistical mechanics into other disciplines. Most notably, one recent work creates a unified theoretical framework to understand evolutionary biology, machine…

Populations and Evolution · Quantitative Biology 2024-05-22 Daniel Sadasivan , Cole Cantu , Cecilia Marsh , Andrew Graham
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