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Accurate prediction of physical properties is critical for discovering and designing novel materials. Machine learning technologies have attracted significant attention in the materials science community for their potential for large-scale…

Materials Science · Physics 2021-11-24 Boyu Zhang , Mushen Zhou , Jianzhong Wu , Fuchang Gao

This paper presents a deep learning-based framework for predicting the dynamic performance of suspension systems in multi-axle vehicles, emphasizing the integration of machine learning with traditional vehicle dynamics modeling. A…

Machine Learning · Computer Science 2024-10-04 Kai Chun Lin , Bo-Yi Lin

The development of new materials is a core aspect of advancement in synthesis and application for industry. There is a vast number of possible chemical permutations of the basic elements that can be explored to synthesize materials that…

Materials Science · Physics 2023-10-30 Antony A. Ayieko , Michael O. Atambo , George O. Amolo

In high energy physics, characterizing the response of a detector to radiation is one of the most important and basic experimental tasks. In many cases, this task is accomplished by parameterizing summary statistics of the full detector…

Data Analysis, Statistics and Probability · Physics 2020-04-22 Sanha Cheong , Aviv Cukierman , Benjamin Nachman , Murtaza Safdari , Ariel Schwartzman

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

In this work, we firstly apply the Train-Tensor (TT) networks to construct a compact representation of the classical Multilayer Perceptron, representing a reduction of up to 95% of the coefficients. A comparative analysis between tensor…

Machine Learning · Computer Science 2021-03-31 M. Nazareth da Costa , R. Attux , A. Cichocki , J. M. T. Romano

This article presents the application of machine learning (ML) algorithms in modeling of the heat transfer correlations (e.g. Nusselt number and friction factor) for a heat exchanger with twisted tape inserts. The experimental data for the…

Fluid Dynamics · Physics 2022-02-03 J. P. Panda , B. Kumar , A. K. Patil , M. Kumar

Failures attributed to hydrogen embrittlement are a major concern for metals so a better understanding of damage micro-mechanisms and hydrogen diffusion within the metal is needed. Local concentrations depend on transport phenomena…

Chemical Physics · Physics 2020-08-03 A. Díaz , I. I. Cuesta , E. Martínez-Pañeda , J. M. Alegre

Quantitative structure-activity relationship (QSAR) modelling is widely employed in materials science to predict properties of interest and extract useful descriptors for measured properties. In thermal barrier coatings (TBC), QSAR can…

Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an…

In solid mechanics, Data-driven approaches are widely considered as the new paradigm that can overcome the classic problems of constitutive models such as limiting hypothesis, complexity, and high dependence on training data. However,…

Soft Condensed Matter · Physics 2020-11-23 Aref Ghaderi , Vahid Morovati , Roozbeh Dargazany

Prediction and control of chemical mixing are vital for many scientific areas such as subsurface reactive transport, climate modeling, combustion, epidemiology, and pharmacology. Due to the complex nature of mixing in heterogeneous and…

Machine Learning · Computer Science 2021-12-15 N. V. Jagtap , M. K. Mudunuru , K. B. Nakshatrala

Standard deep neural networks (DNNs) are commonly trained in an end-to-end fashion for specific tasks such as object recognition, face identification, or character recognition, among many examples. This specificity often leads to…

Computer Vision and Pattern Recognition · Computer Science 2020-07-14 Raphaël Achddou , J. Matias di Martino , Guillermo Sapiro

This chapter presents an innovative framework for the application of machine learning and data analytics for the identification of alloys or composites exhibiting certain desired properties of interest. The main focus is on alloys and…

Materials Science · Physics 2020-12-15 Baldur Steingrimsson , Xuesong Fan , Anand Kulkarni , Michael C. Gao , Peter K. Liaw

We introduce Neural Dynamical Systems (NDS), a method of learning dynamical models in various gray-box settings which incorporates prior knowledge in the form of systems of ordinary differential equations. NDS uses neural networks to…

Transforming CO$_2$ into methanol represents a crucial step towards closing the carbon cycle, with thermoreduction technology nearing industrial application. However, obtaining high methanol yields and ensuring the stability of…

Chemical Physics · Physics 2025-07-08 Prajwal Pisal , Ondrej Krejci , Patrick Rinke

We present a method to increase the resolution of measurements of a physical system and subsequently predict its time evolution using thermodynamics-aware neural networks. Our method uses adversarial autoencoders, which reduce the…

Computational Physics · Physics 2024-07-24 Carlos Bermejo-Barbanoj , Beatriz Moya , Alberto Badías , Francisco Chinesta , Elías Cueto

Based on deep neural networks (DNNs), deep learning has been successfully applied to many problems, but its mechanism is still not well understood -- especially the reason why over-parametrized DNNs can generalize. A recent statistical…

Disordered Systems and Neural Networks · Physics 2025-06-10 Gang Huang , Lai Shun Chan , Hajime Yoshino , Ge Zhang , Yuliang Jin

This study introduces a language transformer-based machine learning model to predict key mechanical properties of high-entropy alloys (HEAs), addressing the challenges due to their complex, multi-principal element compositions and limited…

Computational Engineering, Finance, and Science · Computer Science 2024-11-08 Spyros Kamnis , Konstantinos Delibasis

The computational complexity of calculating phase diagrams for multi-parameter models significantly limits the ability to select parameters that correspond to experimental data. This work presents a machine learning method for solving the…

Computational Physics · Physics 2026-05-01 V. A. Ulitko , D. N. Yasinskaya , S. A. Bezzubin , A. A. Koshelev , Y. D. Panov