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High-fidelity quantum dynamics emulators can be used to predict the time evolution of complex physical systems. Here, we introduce an efficient training framework for constructing machine learning-based emulators. Our approach is based on…

Quantum Physics · Physics 2022-03-22 Yu Yao , Chao Cao , Stephan Haas , Mahak Agarwal , Divyam Khanna , Marcin Abram

The computational prediction of a protein structure from its sequence generally relies on a method to assess the quality of protein models. Most assessment methods rank candidate models using heavily engineered structural features, defined…

Biomolecules · Quantitative Biology 2018-11-26 Georgy Derevyanko , Sergei Grudinin , Yoshua Bengio , Guillaume Lamoureux

We investigate the emergence of intuitive physics understanding in general-purpose deep neural network models trained to predict masked regions in natural videos. Leveraging the violation-of-expectation framework, we find that video…

Computer Vision and Pattern Recognition · Computer Science 2025-02-18 Quentin Garrido , Nicolas Ballas , Mahmoud Assran , Adrien Bardes , Laurent Najman , Michael Rabbat , Emmanuel Dupoux , Yann LeCun

We present an efficient and accurate method for simulating massive neutrinos in cosmological structure formation simulations, together with an easy to use public implementation. Our method builds on our earlier implementation of the linear…

Cosmology and Nongalactic Astrophysics · Physics 2018-09-05 Simeon Bird , Yacine Ali-Haïmoud , Yu Feng , Jia Liu

We propose Neural Cellular Automata (NCA) to simulate the microstructure development during the solidification process in metals. Based on convolutional neural networks, NCA can learn essential solidification features, such as preferred…

Materials Science · Physics 2023-09-08 Jian Tang , Siddhant Kumar , Laura De Lorenzis , Ehsan Hosseini

Convolutional Neural Networks (CNNs) have recently been applied to cosmological fields -- weak lensing mass maps and galaxy maps. However, cosmological maps differ in several ways from the vast majority of images that CNNs have been tested…

Cosmology and Nongalactic Astrophysics · Physics 2024-03-05 Kunhao Zhong , Marco Gatti , Bhuvnesh Jain

The ability to accurately predict the surrounding environment is a foundational principle of intelligence in biological and artificial agents. In recent years, a variety of approaches have been proposed for learning to predict the physical…

Computer Vision and Pattern Recognition · Computer Science 2019-08-01 Alberto Cenzato , Alberto Testolin , Marco Zorzi

For light nuclei, ab initio many-body methods such as the no-core shell model are the tools of choice for predictive, high-precision nuclear structure calculations. The applicability and the level of precision of these methods, however, is…

Nuclear Theory · Physics 2024-07-29 Tobias Wolfgruber , Marco Knöll , Robert Roth

Here we present a machine learning framework and model implementation that can learn to simulate a wide variety of challenging physical domains, involving fluids, rigid solids, and deformable materials interacting with one another. Our…

Machine Learning · Computer Science 2020-09-15 Alvaro Sanchez-Gonzalez , Jonathan Godwin , Tobias Pfaff , Rex Ying , Jure Leskovec , Peter W. Battaglia

Dark matter haloes play a fundamental role in cosmological structure formation. The most common approach to model their assembly mechanisms is through N-body simulations. In this work we present an innovative pathway to predict dark matter…

Cosmology and Nongalactic Astrophysics · Physics 2020-07-15 Mauro Bernardini , Lucio Mayer , Darren Reed , Robert Feldmann

We apply reinforcement learning (RL) to robotics tasks. One of the drawbacks of traditional RL algorithms has been their poor sample efficiency. One approach to improve the sample efficiency is model-based RL. In our model-based RL…

Machine Learning · Computer Science 2023-05-16 Adithya Ramesh , Balaraman Ravindran

Neural networks (NNs) have great potential in solving the ground state of various many-body problems. However, several key challenges remain to be overcome before NNs can tackle problems and system sizes inaccessible with more established…

Strongly Correlated Electrons · Physics 2026-02-24 Khachatur Nazaryan , Filippo Gaggioli , Yi Teng , Liang Fu

Although the neural network (NN) technique plays an important role in machine learning, understanding the mechanism of NN models and the transparency of deep learning still require more basic research. In this study, we propose a novel…

Machine Learning · Computer Science 2023-11-10 Shuyue Guan , Murray Loew

N-body simulations are essential for understanding the formation and evolution of structure in the Universe. However, the discrete nature of these simulations affects their accuracy when modelling collisionless systems. We introduce a new…

Cosmology and Nongalactic Astrophysics · Physics 2015-11-18 Oliver Hahn , Raul E. Angulo

Despite the widespread practical success of deep learning methods, our theoretical understanding of the dynamics of learning in deep neural networks remains quite sparse. We attempt to bridge the gap between the theory and practice of deep…

Neural and Evolutionary Computing · Computer Science 2014-02-20 Andrew M. Saxe , James L. McClelland , Surya Ganguli

Recent works exploring deep learning application to dynamical systems modeling have demonstrated that embedding physical priors into neural networks can yield more effective, physically-realistic, and data-efficient models. However, in the…

Neural and Evolutionary Computing · Computer Science 2020-11-30 Elliott Skomski , Jan Drgona , Aaron Tuor

While the basic laws of Newtonian mechanics are well understood, explaining a physical scenario still requires manually modeling the problem with suitable equations and associated parameters. In order to adopt such models for artificial…

Computer Vision and Pattern Recognition · Computer Science 2017-06-09 Sébastien Ehrhardt , Aron Monszpart , Andrea Vedaldi , Niloy Mitra

We study the nonlinear growth of cosmic structure in different dark energy models, using large volume N-body simulations. We consider a range of quintessence models which feature both rapidly and slowly varying dark energy equations of…

Cosmology and Nongalactic Astrophysics · Physics 2010-01-13 Elise Jennings , Carlton M. Baugh , Raul E. Angulo , Silvia Pascoli

Modeling galaxy formation in a cosmological context presents one of the greatest challenges in astrophysics today, due to the vast range of scales and numerous physical processes involved. Here we review the current status of models that…

Astrophysics of Galaxies · Physics 2015-09-23 Rachel S. Somerville , Romeel Davé

Machine learning has revolutionized the high-dimensional representations for molecular properties such as potential energy. However, there are scarce machine learning models targeting tensorial properties, which are rotationally covariant.…

Chemical Physics · Physics 2020-08-11 Yaolong Zhang , Sheng Ye , Jinxiao Zhang , Ce Hu , Jun Jiang , Bin Jiang