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RNA function crucially depends on its structure. Thermodynamic models currently used for secondary structure prediction rely on computing the partition function of folding ensembles, and can thus estimate minimum free-energy structures and…

生物大分子 · 定量生物学 2022-07-26 Nicola Calonaci , Alisha Jones , Francesca Cuturello , Michael Sattler , Giovanni Bussi

This study is motivated by the need to develop an efficient numerical model to simulate non-uniform interfacial degradation of reinforcing steel in concrete in an accelerated corrosion setup. In this study, a multi physics finite element…

应用物理 · 物理学 2021-12-23 Shanmukha Shetty , Sauvik Banerjee , Siddharth Tallur , Yogesh M. Desai

Driven by the transition towards a climate-neutral energy system, accurate energy time series forecasting is critical for planning and operation. Yet, it remains largely a dataset-specific task, requiring comprehensive training data,…

机器学习 · 计算机科学 2026-04-27 Marco Obermeier , Marco Pruckner , Florian Haselbeck , Andreas Zeiselmair

Refractory multi-principal element alloys (RMPEAs) represent a novel class of alloys characterized by an extensive compositional design space and the potential for exceptional mechanical performance under extreme conditions. While accurate…

材料科学 · 物理学 2026-04-21 A. K. Shargh , C. D. Stiles , J. A. El-Awady

In this paper, two fatigue lifetime prediction models are tested on TiAl intermetallic using results from uniaxial low-cycle fatigue tests. Both assessments are based on dissipated energy but one of them considers a hydrostatic pressure…

材料科学 · 物理学 2012-01-20 Anne-Lise Gloanec , Thomas Milani , Gilbert Henaff

We present a study of possible predictors based on four supervised machine learning models for the prediction of four mechanical properties of the main industrially used steels. The results were obtained from an experimental database…

机器学习 · 计算机科学 2020-04-14 Ciro Javier Diaz Penedo , Lucas Leonardo Silveira Costa

There currently exist no quantitative methods to determine the appropriate conditions for solid-state synthesis. This not only hinders the experimental realization of novel materials but also complicates the interpretation and understanding…

The layering approach used in fused filament fabrication (FFF) enables creation of complex designs generated by topology optimization. Defects associated with the layer-by-layer process, introduce considerable random variability to the…

材料科学 · 物理学 2024-09-04 Zahra Kazemi , Craig A. Steeves

Integrating model-free and model-based approaches in reinforcement learning has the potential to achieve the high performance of model-free algorithms with low sample complexity. However, this is difficult because an imperfect dynamics…

机器学习 · 计算机科学 2019-06-10 Jacob Buckman , Danijar Hafner , George Tucker , Eugene Brevdo , Honglak Lee

Plastic deformation of micron-scale crystalline solids exhibits stress-strain curves with significant sample-to-sample variations. It is a pertinent question if this variability is purely random or to some extent predictable. Here we show,…

无序系统与神经网络 · 物理学 2020-01-31 Henri Salmenjoki , Mikko J. Alava , Lasse Laurson

We propose a novel Skew Gradient Embedding (SGE) framework for systematically reformulating thermodynamically consistent partial differential equation (PDE) models-capturing both reversible and irreversible processes-as generalized gradient…

数值分析 · 数学 2025-09-24 Xuelong Gu , Qi Wang

We explore the possibilities of using energy minimization for the numerical modeling of strain localization in solids as a sharp discontinuity in the displacement field. For this purpose, we consider (regularized) strong discontinuity…

机器学习 · 计算机科学 2025-01-14 Omar León , Víctor Rivera , Angel Vázquez-Patiño , Jacinto Ulloa , Esteban Samaniego

Nowadays, manufacturing sectors harness the power of machine learning and data science algorithms to make predictions for the optimization of mechanical and microstructure properties of fabricated mechanical components. The application of…

机器学习 · 计算机科学 2022-01-25 Akshansh Mishra , Raheem Al-Sabur , Ahmad K. Jassim

This short paper presents the potential of using machine learning to predict materials behaviour in the context of hydrogen interaction with steel. Effort has been made to understand the quality, and amount of data needed to get improved…

材料科学 · 物理学 2021-10-22 M. Amir Siddiq

We introduce structured prediction energy networks (SPENs), a flexible framework for structured prediction. A deep architecture is used to define an energy function of candidate labels, and then predictions are produced by using…

机器学习 · 计算机科学 2016-09-08 David Belanger , Andrew McCallum

This paper introduces a simple framework for accurately predicting the fatigue lifetime of notched components by employing various machine learning algorithms applied to a wide range of materials, loading conditions, notch geometries, and…

应用物理 · 物理学 2023-10-19 Amir Mohammad Mirzaei

Lifecycle assessment of wind turbines is essential to improve their design and to optimum maintenance plans for preventing failures during the design life. A critical element of wind turbines is the composite blade due to uncertain cyclic…

系统与控制 · 电气工程与系统科学 2024-04-17 Chizhi Zhang , Hua-Peng Chen

Fatigue failure driven by stress gradients associated to casting defects was studied in two cast nickel-based superalloys. The experimental campaign revealed complex damage phenomena linked to spongeous shrinkages, characterized by their…

Detecting faults in steel plates is crucial for ensuring the safety and reliability of the structures and industrial equipment. Early detection of faults can prevent further damage and costly repairs. This chapter aims at diagnosing and…

神经与进化计算 · 计算机科学 2024-05-02 Salar Farahmand-Tabar , Tarik A. Rashid

AI weather prediction has advanced rapidly, yet no unified mathematical framework explains what determines forecast skill. Existing theory addresses specific architectural choices rather than the learning pipeline as a whole, while…

机器学习 · 计算机科学 2026-04-02 Piyush Garg , Diana R. Gergel , Andrew E. Shao , Galen J. Yacalis