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Equations of State model relations between thermodynamic variables and are ubiquitous in scientific modelling, appearing in modern day applications ranging from Astrophysics to Climate Science. The three desired properties of a general…

Modern laboratory techniques like ultrafast laser excitation and shock compression can bring matter into highly nonequilibrium states with complex structural transformation, metallization and dissociation dynamics. To understand and model…

Computational Physics · Physics 2022-05-24 Qiyu Zeng , Bo Chen , Xiaoxiang Yu , Shen Zhang , Dongdong Kang , Han Wang , Jiayu Dai

In this study, we present a graph neural network-based learning approach using an autoencoder setup to derive low-dimensional variables from features observed in experimental crystal structures. These variables are then biased in enhanced…

Statistical Mechanics · Physics 2023-10-13 Ziyue Zou , Pratyush Tiwary

State-space models are a popular statistical framework for analysing sequential data. Within this framework, particle filters are often used to perform inference on non-linear state-space models. We introduce a new method, StateMixNN, that…

Machine Learning · Computer Science 2025-03-28 Benjamin Cox , Santiago Segarra , Victor Elvira

Representation learning in dynamic graphs is a challenging problem because the topology of graph and node features vary at different time. This requires the model to be able to effectively capture both graph topology information and…

Machine Learning · Computer Science 2021-11-16 Xintao Xiang , Tiancheng Huang , Donglin Wang

While electroencephalogram (EEG) has been a crucial tool for monitoring the brain and diagnosing neurological disorders (e.g., epilepsy), learning meaningful representations from raw EEG signals remains challenging due to limited…

Machine Learning · Computer Science 2025-09-03 Jia Hong Puah , Sim Kuan Goh , Ziwei Zhang , Zixuan Ye , Chow Khuen Chan , Kheng Seang Lim , Si Lei Fong , Kok Sin Woon , Cuntai Guan

Physics-constrained data-driven computing is an emerging computational paradigm that allows simulation of complex materials directly based on material database and bypass the classical constitutive model construction. However, it remains…

Numerical Analysis · Mathematics 2022-09-12 Xiaolong He , Qizhi He , Jiun-Shyan Chen

Non-linear, radially global, turbulence simulations of ASDEX Upgrade (AUG) plasmas are performed and the nonlinear generated intrinsic flow shows agreement with the intrinsic flow gradients measured in the core of Ohmic L-mode plasmas at…

Revealing the continuous dynamics on the networks is essential for understanding, predicting, and even controlling complex systems, but it is hard to learn and model the continuous network dynamics because of complex and unknown governing…

Machine Learning · Computer Science 2022-11-22 Bo Liang , Lin Wang , Xiaofan Wang

Learning distributions of graphs can be used for automatic drug discovery, molecular design, complex network analysis, and much more. We present an improved framework for learning generative models of graphs based on the idea of deep state…

Machine Learning · Computer Science 2021-12-07 Julian Stier , Michael Granitzer

Machine learning is applied to investigate the phase transition of two-dimensional complex plasmas. The Langevin dynamics simulation is employed to prepare particle suspensions in various thermodynamic states. Based on the resulted particle…

Plasma Physics · Physics 2023-07-25 He Huang , Vladimir Nosenko , Han-Xiao Huang-Fu , Hubertus M. Thomas , Cheng-Ran Du

As sequential neural architectures become deeper and more complex, uncertainty estimation is more and more challenging. Efforts in quantifying uncertainty often rely on specific training procedures, and bear additional computational costs…

Machine Learning · Statistics 2023-07-06 Max Cohen , Maurice Charbit , Sylvain Le Corff

In this work we explore the application of deep neural networks to the optimization of atomic layer deposition processes based on thickness values obtained at different points of an ALD reactor. We introduce a dataset designed to train…

Machine Learning · Computer Science 2024-06-19 Angel Yanguas-Gil , Jeffrey W. Elam

Operating an active distribution network (ADN) in the absence of enough measurements, the presence of distributed energy resources, and poor knowledge of responsive demand behaviour is a huge challenge. This paper introduces systematic…

Systems and Control · Electrical Eng. & Systems 2023-10-24 Malek Alduhaymi , Ravindra Singh , Firdous Ul Nazir , Bikash C. Pal

Pre-trained deep image representations are useful for post-training tasks such as classification through transfer learning, image retrieval, and object detection. Data augmentations are a crucial aspect of pre-training robust…

Computer Vision and Pattern Recognition · Computer Science 2023-02-23 Sangnie Bhardwaj , Willie McClinton , Tongzhou Wang , Guillaume Lajoie , Chen Sun , Phillip Isola , Dilip Krishnan

We present an algorithm to learn the relevant latent variables of a large-scale discretized physical system and predict its time evolution using thermodynamically-consistent deep neural networks. Our method relies on sparse autoencoders,…

Computational Engineering, Finance, and Science · Computer Science 2021-03-25 Quercus Hernandez , Alberto Badias , David Gonzalez , Francisco Chinesta , Elias Cueto

Deep learning algorithms provide a new paradigm to study high-dimensional dynamical behaviors, such as those in fusion plasma systems. Development of novel model reduction methods, coupled with detection of abnormal modes with plasma…

Computational Physics · Physics 2024-04-29 Zhe Bai , Xishuo Wei , William Tang , Leonid Oliker , Zhihong Lin , Samuel Williams

Automatic modulation recognition (AMR) is a promising technology for intelligent communication receivers to detect signal modulation schemes. Recently, the emerging deep learning (DL) research has facilitated high-performance DL-AMR…

Signal Processing · Electrical Eng. & Systems 2021-10-12 Fuxin Zhang , Chunbo Luo , Jialang Xu , Yang Luo

We introduce generative models for accelerating simulations of complex systems through learning and evolving their effective dynamics. In the proposed Generative Learning of Effective Dynamics (G-LED), instances of high dimensional data are…

Machine Learning · Computer Science 2024-02-28 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

Inferring transient molecular structural dynamics from diffraction data is an ambiguous task that often requires different approximation methods. In this paper we present an attempt to tackle this problem using machine learning. While most…

Chemical Physics · Physics 2023-08-09 Hazem Daoud , Dhruv Sirohi , Endri Mjeku , John Feng , Saeed Oghbaey , R. J. Dwayne Miller
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