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In this paper we present a deep learning method to predict the temporal evolution of dissipative dynamic systems. We propose using both geometric and thermodynamic inductive biases to improve accuracy and generalization of the resulting…

Machine Learning · Computer Science 2022-06-07 Quercus Hernández , Alberto Badías , Francisco Chinesta , Elías Cueto

Coarse-grained modeling in molecular simulations serves not only to extend accessible time and length scales beyond atomistic limits, but also to reduce high-dimensional chemical data to low-dimensional representations that expose the…

Chemical Physics · Physics 2026-05-19 Michael N. Sakano , Alejandro Strachan

Machine learning, with its remarkable ability for retrieving information and identifying patterns from data, has emerged as a powerful tool for discovering governing equations. It has been increasingly informed by physics, and more recently…

Statistical Mechanics · Physics 2023-12-12 Shenglin Huang , Zequn He , Nicolas Dirr , Johannes Zimmer , Celia Reina

Climate simulations, at all grid resolutions, rely on approximations that encapsulate the forcing due to unresolved processes on resolved variables, known as parameterizations. Parameterizations often lead to inaccuracies in climate models,…

The complexity of real-world geophysical systems is often compounded by the fact that the observed measurements depend on hidden variables. These latent variables include unresolved small scales and/or rapidly evolving processes, partially…

Controlling systems governed by partial differential equations is an inherently hard problem. Specifically, control of wave dynamics is challenging due to additional physical constraints and intrinsic properties of wave phenomena such as…

Signal Processing · Electrical Eng. & Systems 2023-12-18 Tristan Shah , Feruza Amirkulova , Stas Tiomkin

Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…

Materials Science · Physics 2021-05-27 Nathan J. Szymanski , Christopher J. Bartel , Yan Zeng , Qingsong Tu , Gerbrand Ceder

Heat management is crucial for state-of-the-art applications such as passive radiative cooling, thermally adjustable wearables, and camouflage systems. Their adaptive versions, to cater to varied requirements, lean on the potential of…

Applied Physics · Physics 2023-11-06 Peng Jin , Liujun Xu , Guoqiang Xu , Jiaxin Li , Cheng-Wei Qiu , Jiping Huang

Concepts of everyday use like energy, heat, and temperature have acquired a precise meaning after the development of thermodynamics. Thermodynamics provides the basis for understanding how heat and work are related and with the general…

Statistical Mechanics · Physics 2007-05-23 D. Reguera , J. M. Rubi , J. M. G. Vilar

Progress in automatic control of thermal processes and real-time estimation of heat penetration into live tissue has long been limited by the difficulty of obtaining high-fidelity thermodynamic models. Traditionally, in complex…

Computer Vision and Pattern Recognition · Computer Science 2022-07-20 Hamza El-Kebir , Yongseok Lee , Joseph Bentsman

In recent years, predictive machine learning methods have gained prominence in various scientific domains. However, due to their black-box nature, it is essential to establish trust in these models before accepting them as accurate. One…

Statistical Mechanics · Physics 2024-04-10 Shams Mehdi , Pratyush Tiwary

Current system thermal-hydraulic codes have limited credibility in simulating real plant conditions, especially when the geometry and boundary conditions are extrapolated beyond the range of test facilities. This paper proposes a…

Machine Learning · Computer Science 2020-01-14 Han Bao , Nam Dinh , Linyu Lin , Robert Youngblood , Jeffrey Lane , Hongbin Zhang

Cutting edge detectors push sensing technology by further improving spatial and temporal resolution, increasing detector area and volume, and generally reducing backgrounds and noise. This has led to a explosion of more and more data being…

Finding amorphous polymers with higher thermal conductivity is important, as they are ubiquitous in heat transfer applications. With recent progress in material informatics, machine learning approaches have been increasingly adopted for…

Materials Science · Physics 2021-09-08 Ruimin Ma , Hanfeng Zhang , Jiaxin Xu , Yoshihiro Hayashi , Ryo Yoshida , Junichiro Shiomi , Tengfei Luo

Energy filter methods in combination with quantum simulation can efficiently access the properties of quantum many-body systems at finite energy densities [Lu et al. PRX Quantum 2, 020321 (2021)]. Classically simulating this algorithm with…

Quantum Physics · Physics 2024-07-08 Maxine Luo , Rahul Trivedi , Mari Carmen Bañuls , J. Ignacio Cirac

Many analyses in particle and nuclear physics use simulations to infer fundamental, effective, or phenomenological parameters of the underlying physics models. When the inference is performed with unfolded cross sections, the observables…

Data Analysis, Statistics and Probability · Physics 2024-09-19 Owen Long , Benjamin Nachman

Given observations of a physical system, identifying the underlying non-linear governing equation is a fundamental task, necessary both for gaining understanding and generating deterministic future predictions. Of most practical relevance…

Numerical Analysis · Mathematics 2020-03-02 A. Goeßmann , M. Götte , I. Roth , R. Sweke , G. Kutyniok , J. Eisert

The generation of molecules with Artificial Intelligence (AI) is poised to revolutionize materials discovery. Potential applications range from development of potent drugs to efficient carbon capture and separation technologies. However,…

We present ElastoGen, a knowledge-driven AI model that generates physically accurate 4D elastodynamics. Unlike deep models that learn from video- or image-based observations, ElastoGen leverages the principles of physics and learns from…

Machine Learning · Computer Science 2025-11-12 Yutao Feng , Yintong Shang , Xiang Feng , Lei Lan , Shandian Zhe , Tianjia Shao , Hongzhi Wu , Kun Zhou , Chenfanfu Jiang , Yin Yang

We present a deep learning approach for analyzing two-dimensional scattering data of semiflexible polymers under external forces. In our framework, scattering functions are compressed into a three-dimensional latent space using a…

Soft Condensed Matter · Physics 2025-04-24 Lijie Ding , Chi-Huan Tung , Bobby G. Sumpter , Wei-Ren Chen , Changwoo Do