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Machine Learning (ML) is increasingly used to construct surrogate models for physical simulations. We take advantage of the ability to generate data using numerical simulations programs to train ML models better and achieve accuracy gain…

Computational Physics · Physics 2021-01-29 Paul Novello , Gaël Poëtte , David Lugato , Pietro Congedo

Physics-based models of dynamical systems are often used to study engineering and environmental systems. Despite their extensive use, these models have several well-known limitations due to simplified representations of the physical…

Machine Learning · Computer Science 2020-09-15 Xiaowei Jia , Jared Willard , Anuj Karpatne , Jordan S Read , Jacob A Zwart , Michael Steinbach , Vipin Kumar

Deep learning (DL) enables deep neural networks (DNNs) to automatically learn complex tasks or rules from given examples without instructions or guiding principles. As we do not engineer DNNs' functions, it is extremely difficult to…

Machine Learning · Computer Science 2024-11-19 Jung H. Lee , Sujith Vijayan

Can physical concepts and laws emerge in a neural network as it learns to predict the observation data of physical systems? As a benchmark and a proof-of-principle study of this possibility, here we show an introspective learning…

Disordered Systems and Neural Networks · Physics 2019-12-02 Ce Wang , Hui Zhai , Yi-Zhuang You

Associative networks theory is increasingly providing tools to interpret update rules of artificial neural networks. At the same time, deriving neural learning rules from a solid theory remains a fundamental challenge. We make some steps in…

Neurons and Cognition · Quantitative Biology 2025-03-27 Daniele Lotito

This paper introduces an adaptive physics-guided neural network (APGNN) framework for predicting quality attributes from image data by integrating physical laws into deep learning models. The APGNN adaptively balances data-driven and…

Methodology · Statistics 2024-11-18 David Shulman , Itai Dattner

To reconstruct thermodynamics based on the microscopic laws is one of the most important unfulfilled goals of statistical physics. Here, we show that the first law and the second law for adiabatic processes are derived from an assumption…

Quantum Physics · Physics 2017-03-29 Hiroyasu Tajima , Eyuri Wakakuwa , Tomohiro Ogawa

Deep neural networks (DNN) are black box algorithms. They are trained using a gradient descent back propagation technique which trains weights in each layer for the sole goal of minimizing training error. Hence, the resulting weights cannot…

Machine Learning · Computer Science 2018-11-05 Daniel Goldfarb

Complex biological functions are carried out by the interaction of genes and proteins. Uncovering the gene regulation network behind a function is one of the central themes in biology. Typically, it involves extensive experiments of…

Quantitative Methods · Quantitative Biology 2020-02-25 Jingxiang Shen , Mariela D. Petkova , Yuhai Tu , Feng Liu , Chao Tang

Markedly increased computational power and data acquisition have led to growing interest in data-driven inverse dynamics problems. These seek to answer a fundamental question: What can we learn from time series measurements of a complex…

Statistical Mechanics · Physics 2025-04-29 Jinghao Lyu , Kyle J. Ray , James P. Crutchfield

The study of plasma physics under conditions of extreme temperatures, densities and electromagnetic field strengths is significant for our understanding of astrophysics, nuclear fusion and fundamental physics. These extreme physical systems…

Automotive Cyber-Physical Systems (ACPS) have attracted a significant amount of interest in the past few decades, while one of the most critical operations in these systems is the perception of the environment. Deep learning and,…

Computer Vision and Pattern Recognition · Computer Science 2021-07-21 Stavros Nousias , Erion-Vasilis Pikoulis , Christos Mavrokefalidis , Aris S. Lalos

Deep Learning (DL), in particular deep neural networks (DNN), by default is purely data-driven and in general does not require physics. This is the strength of DL but also one of its key limitations when applied to science and engineering…

Machine Learning · Statistics 2022-09-26 Hai V. Nguyen , Tan Bui-Thanh

This paper integrates deep neural networks (DNNs) into structural economic models to increase flexibility and capture rich heterogeneity while preserving interpretability. Economic structure and machine learning are complements in empirical…

Econometrics · Economics 2025-04-28 Max H. Farrell , Tengyuan Liang , Sanjog Misra

Simulating particle dynamics with high fidelity is crucial for solving real-world interaction and control tasks involving liquids in design, graphics, and robotics. Recently, data-driven approaches, particularly those based on graph neural…

Machine Learning · Computer Science 2025-12-01 Niteesh Midlagajni , Constantin A. Rothkopf

Metriplectic systems are learned from data in a way that scales quadratically in both the size of the state and the rank of the metriplectic data. Besides being provably energy conserving and entropy stable, the proposed approach comes with…

Machine Learning · Computer Science 2025-01-28 Anthony Gruber , Kookjin Lee , Haksoo Lim , Noseong Park , Nathaniel Trask

While deep learning has enabled significant advances in many areas of science, its black-box nature hinders architecture design for future artificial intelligence applications and interpretation for high-stakes decision makings. We…

Machine Learning · Computer Science 2023-08-14 Hangfeng He , Weijie J. Su

Molecular dynamics simulations can generate atomically detailed trajectories of complex systems, but analyzing these dynamics can be challenging when systems lack well-established quantitative descriptors (features). Graph neural networks…

Machine Learning · Computer Science 2025-12-09 Zihan Pengmei , Spencer C. Guo , Chatipat Lorpaiboon , Aaron R. Dinner

The application of deep learning techniques using convolutional neural networks to the classification of particle collisions in High Energy Physics is explored. An intuitive approach to transform physical variables, like momenta of…

Computer Vision and Pattern Recognition · Computer Science 2017-08-24 Celia Fernández Madrazo , Ignacio Heredia Cacha , Lara Lloret Iglesias , Jesús Marco de Lucas

We report a new deep learning message passing network that takes inspiration from Newton's equations of motion to learn interatomic potentials and forces. With the advantage of directional information from trainable latent force vectors,…