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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,…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…