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The use of automatic methods, often referred to as Neural Architecture Search (NAS), in designing neural network architectures has recently drawn considerable attention. In this work, we present an efficient NAS approach, named HM- NAS,…

机器学习 · 计算机科学 2019-09-10 Shen Yan , Biyi Fang , Faen Zhang , Yu Zheng , Xiao Zeng , Hui Xu , Mi Zhang

The diverse combinations of novel building blocks offer a vast design space for hydrogen-boned frameworks (HOFs), rendering it a great promise for gas separation and purification. However, the underlying separation mechanism facilitated by…

化学物理 · 物理学 2025-05-12 Yong Qiu , Lei Wang , Letian Chen , Yun Tian , Zhen Zhou , Jianzhong Wu

The fabrication of nanomaterials involves self-ordering processes of functional molecules on inorganic surfaces. To obtain specific molecular arrangements, a common strategy is to equip molecules with functional groups. However, focusing on…

介观与纳米尺度物理 · 物理学 2021-04-28 Andreas Jeindl , Jari Domke , Lukas Hörmann , Falko Sojka , Roman Forker , Torsten Fritz , Oliver T. Hofmann

Deep generative models have demonstrated effectiveness in learning compact and expressive design representations that significantly improve geometric design optimization. However, these models do not consider the uncertainty introduced by…

计算工程、金融与科学 · 计算机科学 2022-10-10 Wei Wayne Chen , Doksoo Lee , Oluwaseyi Balogun , Wei Chen

Graph Transformers (GTs) have emerged as powerful architectures for graph-structured data, yet remain constrained by rigid designs and lack quantifiable interpretability. Current state-of-the-art GTs commit to fixed GNN types across all…

机器学习 · 计算机科学 2025-11-03 Shruti Sarika Chakraborty , Peter Minary

To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…

Design exploration is an important step in the engineering design process. This involves the search for design/s that meet the specified design criteria and accomplishes the predefined objective/s. In recent years, machine learning-based…

神经与进化计算 · 计算机科学 2023-04-17 Gehendra Sharma , Sungkwang Mun , Nayeon Lee , Luke Peterson , Daniela Tellkamp , Anand Balu Nellippallil

Reticular materials, including metal-organic frameworks and covalent organic frameworks, combine relative ease of synthesis and an impressive range of applications in various fields, from gas storage to biomedicine. Diverse properties arise…

材料科学 · 物理学 2024-03-11 Vadim Korolev , Artem Mitrofanov

High-density carbon nanotube networks (CNNs) continue to attract interest as active elements in nanoelectronic devices, nanoelectromechanical systems (NEMS) and multifunctional nanocomposites. The interplay between the network nanostructure…

介观与纳米尺度物理 · 物理学 2011-08-11 Myung Gwan Hahm , Hailong Wang , Hyunyoung Jung , Sanghyun Hong , Sung-Goo Lee , Sung-Ryong Kim , Moneesh Upmanyu , Yung Joon Jung

This paper investigates the structure-property relations of thin-walled lattices under dynamic longitudinal compression, characterized by their cross-sections and heights. These relations elucidate the interactions of different geometric…

机器学习 · 计算机科学 2022-12-22 Junyan He , Shashank Kushwaha , Diab Abueidda , Iwona Jasiuk

With the achievement on the additive manufacturing, the mechanical properties of architectured materials can be precisely designed by tailoring microstructures. As one of the primary design objectives, the elastic isotropy is of great…

应用物理 · 物理学 2021-04-15 Anran Wei , Jie Xiong , Weidong Yang , Fenglin Guo

Establishing correspondence between shapes is a fundamental problem in geometry processing, arising in a wide variety of applications. The problem is especially difficult in the setting of non-isometric deformations, as well as in the…

计算机视觉与模式识别 · 计算机科学 2016-05-23 Davide Boscaini , Jonathan Masci , Emanuele Rodolà , Michael M. Bronstein

Building Information Modeling (BIM) has revolutionized the construction industry by providing a comprehensive digital representation of building structures throughout their lifecycle. However, existing research lacks effective methods for…

计算工程、金融与科学 · 计算机科学 2025-10-28 Jin Han , Xin-Zheng Lu , Jia-Rui Lin

Identifying the key microstructure representations is crucial for Computational Materials Design (CMD). However, existing microstructure characterization and reconstruction (MCR) techniques have limitations to be applied for materials…

材料科学 · 物理学 2019-01-07 Zijiang Yang , Xiaolin Li , L. Catherine Brinson , Alok N. Choudhary , Wei Chen , Ankit Agrawal

Atomic force microscopy (AFM) is a key tool for characterising nanoscale structures, with functionalised tips now offering detailed images of the atomic structure. In parallel, AFM simulations using the particle probe model provide a…

The world is covered with millions of buildings, and precisely knowing each instance's position and extents is vital to a multitude of applications. Recently, automated building footprint segmentation models have shown superior detection…

计算机视觉与模式识别 · 计算机科学 2018-03-19 Diego Marcos , Devis Tuia , Benjamin Kellenberger , Lisa Zhang , Min Bai , Renjie Liao , Raquel Urtasun

In this paper, we propose a new deep framework which predicts facial attributes and leverage it as a soft modality to improve face identification performance. Our model is an end to end framework which consists of a convolutional neural…

计算机视觉与模式识别 · 计算机科学 2018-05-02 Fariborz Taherkhani , Nasser M. Nasrabadi , Jeremy Dawson

Deep neural networks (DNNs) have been shown to outperform conventional machine learning algorithms across a wide range of applications, e.g., image recognition, object detection, robotics, and natural language processing. However, the high…

分布式、并行与集群计算 · 计算机科学 2020-04-23 Ye Yu , Yingmin Li , Shuai Che , Niraj K. Jha , Weifeng Zhang

Generative adversarial networks, which can generate metasurfaces based on a training set of high performance device layouts, have the potential to significantly reduce the computational cost of the metasurface design process. However, basic…

计算物理 · 物理学 2019-12-03 Fufang Wen , Jiaqi Jiang , Jonathan A. Fan

Predicting the properties of a molecule from its structure is a challenging task. Recently, deep learning methods have improved the state of the art for this task because of their ability to learn useful features from the given data. By…

机器学习 · 计算机科学 2020-08-28 Shengli Jiang , Prasanna Balaprakash