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Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Optical metasurfaces are planar arrangements of subwavelength meta-atoms that implement a wide range of transformations on incident light. The design of efficient metasurfaces requires that the responses of and interactions among meta-atoms…

Optics · Physics 2021-01-19 Mahdad Mansouree , Andrew McClung , Sarath Samudrala , Amir Arbabi

All-dielectric metasurfaces exhibit exotic electromagnetic responses, similar to those obtained with metal-based metamaterials. Research in all-dielectric metasurfaces currently uses relatively simple unit-cell designs, but increased…

Optics · Physics 2020-12-10 Yang Deng , Simiao Ren , Kebin Fan , Jordan M. Malof , Willie J. Padilla

Word embeddings are a popular way to improve downstream performances in contemporary language modeling. However, the underlying geometric structure of the embedding space is not well understood. We present a series of explorations using…

Computation and Language · Computer Science 2020-09-17 Hongwei , Zhou , Oskar Elek , Pranav Anand , Angus G. Forbes

Humans are capable of building holistic representations for images at various levels, from local objects, to pairwise relations, to global structures. The interpretation of structures involves reasoning over repetition and symmetry of the…

Computer Vision and Pattern Recognition · Computer Science 2019-09-06 Jiayuan Mao , Xiuming Zhang , Yikai Li , William T. Freeman , Joshua B. Tenenbaum , Jiajun Wu

The integration of generative artificial intelligence (AI) into architectural design has advanced significantly, enabling the generation of text, images, and 3D models. However, prior AI applications lack support for text-to-parametric…

Human-Computer Interaction · Computer Science 2025-05-20 Guangxi Feng , Wei Yan

Neural-symbolic methods have demonstrated efficiency in enhancing the reasoning abilities of large language models (LLMs). However, existing methods mainly rely on syntactically mapping natural languages to complete formal languages like…

Computation and Language · Computer Science 2024-06-04 Yiming Wang , Zhuosheng Zhang , Pei Zhang , Baosong Yang , Rui Wang

Transformers, adapted from natural language processing, are emerging as a leading approach for graph representation learning. Contemporary graph transformers often treat nodes or edges as separate tokens. This approach leads to…

Machine Learning · Computer Science 2023-10-04 Zihan Pengmei , Zimu Li , Chih-chan Tien , Risi Kondor , Aaron R. Dinner

Understanding how AI will represent and reason about geography should be a key concern for all of us, as the broader public increasingly interacts with spaces and places through these systems. Similarly, in line with the nature of…

Artificial Intelligence · Computer Science 2026-03-20 Krzysztof Janowicz , Gengchen Mai , Rui Zhu , Song Gao , Zhangyu Wang , Yingjie Hu , Lauren Bennett

Molecular generation plays an important role in drug discovery and materials science, especially in data-scarce scenarios where traditional generative models often struggle to achieve satisfactory conditional generalization. To address this…

Machine Learning · Computer Science 2025-05-13 Zimo Yan , Jie Zhang , Zheng Xie , Chang Liu , Yizhen Liu , Yiping Song

Characterizing crystal structures and interfaces down to the atomic level is an important step for designing advanced materials. Modern electron microscopy routinely achieves atomic resolution and is capable to resolve complex arrangements…

Materials Science · Physics 2023-09-07 Andreas Leitherer , Byung Chul Yeo , Christian H. Liebscher , Luca M. Ghiringhelli

Ultrathin meta-optics offer unmatched, multifunctional control of light. Next-generation optical technologies, however, demand unprecedented performance. This will likely require design algorithms surpassing the capability of human…

Optics · Physics 2021-04-06 Shane Colburn , Arka Majumdar

Reprogrammable mechanical metamaterials, composed of a lattice of discretely adaptive elements, are emerging as a promising platform for mechanical intelligence. To operate in unknown environments, such structures must go beyond passive…

In this paper, we design and train a Generative Image-to-text Transformer, GIT, to unify vision-language tasks such as image/video captioning and question answering. While generative models provide a consistent network architecture between…

Computer Vision and Pattern Recognition · Computer Science 2022-12-19 Jianfeng Wang , Zhengyuan Yang , Xiaowei Hu , Linjie Li , Kevin Lin , Zhe Gan , Zicheng Liu , Ce Liu , Lijuan Wang

Recent advances in deep learning, in particular enabled by hardware advances and big data, have provided impressive results across a wide range of computational problems such as computer vision, natural language, or reinforcement learning.…

Computer Vision and Pattern Recognition · Computer Science 2021-12-23 Ileana Rugina , Rumen Dangovski , Mark Veillette , Pooya Khorrami , Brian Cheung , Olga Simek , Marin Soljačić

Metamaterials are artificial composite structures designed for controlling waves or fields, and exhibit interaction phenomena that are unexpected on the basis of their chemical constituents. These phenomena are encoded in effective material…

Materials Science · Physics 2015-12-21 Mihai Caleap , Bruce W Drinkwater

Wave-based signal processing has witnessed a significant expansion of interest in a variety of science and engineering disciplines, as it provides new opportunities for achieving high-speed and low-power operations. Although flat optics…

Significant strides have been made toward designing better generative models in recent years. Despite this progress, however, state-of-the-art approaches are still largely unable to capture complex global structure in data. For example,…

Machine Learning · Computer Science 2019-01-25 Halley Young , Osbert Bastani , Mayur Naik

Metamaterials are a new generation of advanced materials, exhibiting engineered microstructures that enable customized material properties not found in nature. The dynamics of metamaterials are particularly fascinating, promising the…

Applied Physics · Physics 2025-07-03 Charles Dorn , Vignesh Kannan , Ute Drechsler , Dennis M. Kochmann

Machine learning which is a sub-domain of an Artificial Intelligence which is finding various applications in manufacturing and material science sectors. In the present study, Deep Generative Modeling which a type of unsupervised machine…

Image and Video Processing · Electrical Eng. & Systems 2021-09-15 Akshansh Mishra , Tarushi Pathak
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