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Deep learning methods for material property prediction have been widely explored to advance materials discovery. However, the prevailing pre-train then fine-tune paradigm often fails to address the inherent diversity and disparity of…

Recently, there has been a growing interest in applying machine learning methods to problems in engineering mechanics. In particular, there has been significant interest in applying deep learning techniques to predicting the mechanical…

机器学习 · 计算机科学 2023-03-15 Saeed Mohammadzadeh , Peerasait Prachaseree , Emma Lejeune

Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…

计算工程、金融与科学 · 计算机科学 2020-06-11 Dengpeng Huang , Jan Niklas Fuhg , Christian Weißenfels , Peter Wriggers

Metasurfaces have provided a novel and promising platform for the realization of compact and large-scale optical devices. The conventional metasurface design approach assumes periodic boundary conditions for each element, which is…

Full Waveform Inversion (FWI) is an important geophysical technique considered in subsurface property prediction. It solves the inverse problem of predicting high-resolution Earth interior models from seismic data. Traditional FWI methods…

Is there a way for a designer to evaluate the performance of a given hood frame geometry without spending significant time on simulation setup? This paper seeks to address this challenge by developing a multimodal machine-learning (MMML)…

机器学习 · 计算机科学 2025-09-16 Abhishek Indupally , Satchit Ramnath

Quantum computing allows for the manipulation of highly correlated states whose properties quickly go beyond the capacity of any classical method to calculate. Thus one natural problem which could lend itself to quantum advantage is the…

量子物理 · 物理学 2024-12-19 Kevin Lively , Tim Bode , Jochen Szangolies , Jian-Xin Zhu , Benedikt Fauseweh

Recent advances in scientific machine learning have shed light on the modeling of pattern-forming systems. However, simulations of real patterns still incur significant computational costs, which could be alleviated by leveraging large…

计算工程、金融与科学 · 计算机科学 2023-02-28 Wei Li , Martin Z. Bazant , Juner Zhu

The macroscopic behaviors of materials are determined by interactions that occur at multiple lengths and time scales. Depending on the application, describing, predicting, and understanding these behaviors require models that rely on…

计算工程、金融与科学 · 计算机科学 2026-01-29 Zhaoxiang Shen , Raúl I. Sosa , Stéphane P. A. Bordas , Alexandre Tkatchenko , Jakub Lengiewicz

This work is directed to uncertainty quantification of homogenized effective properties for composite materials with complex, three dimensional microstructure. The uncertainties arise in the material parameters of the single constituents as…

机器学习 · 计算机科学 2021-10-27 Alexander Henkes , Ismail Caylak , Rolf Mahnken

Compositionally complex alloys or concentrated solid solutions are the latest frontier in catalyst design, but mixing different elements in one catalyst may result in surface segregation. Atomistic simulations can predict segregation…

材料科学 · 物理学 2022-12-12 Alberto Ferrari , Vadim Sotskov , Alexander V. Shapeev , Fritz Körmann

Deep learning is a topic of considerable current interest. The availability of massive data collections and powerful software resources has led to an impressive amount of results in many application areas that reveal essential but hidden…

Numerical modeling errors are unavoidable in finite element analysis. The presence of model errors inherently reflects both model accuracy and uncertainty. To date there have been few methods for explicitly quantifying errors at points of…

机器学习 · 计算机科学 2024-11-19 Bozhou Zhuang , Sashank Rana , Brandon Jones , Danny Smyl

The surface properties of solid-state materials often dictate their functionality, especially for applications where nanoscale effects become important. The relevant surface(s) and their properties are determined, in large part, by the…

材料科学 · 物理学 2024-03-19 Kyle Noordhoek , Christopher J. Bartel

Artificial intelligence is transforming computational materials science, improving the prediction of material properties, and accelerating the discovery of novel materials. Recently, publicly available material data repositories have grown…

Background: Traumatic brain injury modeling requires integrating volumetric neuroimaging, demographic parameters, and acquisition metadata. Finite element solvers are too computationally expensive for clinical settings. Neural operators…

机器学习 · 计算机科学 2026-04-27 Anusha Agarwal , Dibakar Roy Sarkar , Somdatta Goswami

This work focuses on estimating soil properties from water moisture measurements. We consider simulated data generated by solving the initial-boundary value problem governing vertical infiltration in a homogeneous, bounded soil profile,…

地球物理 · 物理学 2025-06-06 Konstantinos Kalimeris , Leonidas Mindrinos , Nikolaos Pallikarakis

Collision detection is essential to virtually all robotics applications. However, traditional geometric collision detection methods generally require pre-existing workspace geometry representations; thus, they are unable to infer the…

机器人学 · 计算机科学 2023-09-15 Gabriel Guo , Judah Goldfeder , Aniv Ray , Tony Dear , Hod Lipson

Although the quest for more accurate solutions is pushing deep learning research towards larger and more complex algorithms, edge devices demand efficient inference and therefore reduction in model size, latency and energy consumption. One…

We analyze how accurately supervised machine learning techniques can predict the lowest energy levels of one-dimensional noninteracting ultracold atoms subject to the correlated disorder due to an optical speckle field. Deep neural networks…

量子气体 · 物理学 2019-04-10 S. Pilati , P. Pieri