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Related papers: AI-driven Inverse Design of Complex Oxide Thin Fil…

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We propose a novel one-step supervised imitation learning (IL) framework called Adversarial Density Regression (ADR). This IL framework aims to correct the policy learned on unknown-quality to match the expert distribution by utilizing…

Machine Learning · Computer Science 2025-01-14 Ziqi Zhang , Zifeng Zhuang , Jingzehua Xu , Yiyuan Yang , Yubo Huang , Donglin Wang , Shuai Zhang

Terahertz (THz) technology, a cornerstone of next-generation high-speed communication and sensing, has long been hindered by impedance mismatch challenges that limit device performance and applicability. These challenges become particularly…

The state-of-the-art dimensionality reduction approaches largely rely on complicated optimization procedures. On the other hand, closed-form approaches requiring merely eigen-decomposition do not have enough sophistication and nonlinearity.…

Machine Learning · Computer Science 2023-08-14 Chengrui Li , Anqi Wu

Large-scale first principles molecular dynamics are crucial for simulating complex processes in chemical, biomedical, and materials sciences. However, the unfavorable time complexity with respect to system sizes leads to prohibitive…

In machine learning and molecular design, there exist two approaches: discriminative and generative. In the discriminative approach dubbed forward design, the goal is to map a set of features/molecules to their respective electronics…

Chemical Physics · Physics 2019-04-24 Alain Tchagang , Julio Valdés

Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an…

Materials Science · Physics 2026-03-17 Maciej J. Karcz , Luca Messina , Eiji Kawasaki , Emeric Bourasseau

Optical proximity correction (OPC) is crucial for pushing the boundaries of semiconductor manufacturing and enabling the continued scaling of integrated circuits. While pixel-based OPC, termed as inverse lithography technology (ILT), has…

Artificial Intelligence · Computer Science 2024-09-02 Guojin Chen , Haoyu Yang , Haoxing Ren , Bei Yu , David Z. Pan

Structured optical waveforms are emerging as powerful control fields for the next generation of complex photonic and electromagnetic systems, where the temporal structure of light can determine the ultimate performance of scientific…

Optical properties of thin film are greatly influenced by the thickness of each layer. Accurately predicting these thicknesses and their corresponding optical properties is important in the optical inverse design of thin films. However,…

Machine Learning · Computer Science 2025-06-13 Uijun Jung , Deokho Jang , Sungchul Kim , Jungho Kim

The inverse design of materials with specific desired properties, such as high-temperature superconductivity, represents a formidable challenge in materials science due to the vastness of chemical and structural space. We present a guided…

We demonstrate a gate dielectric engineering approach leveraging an ultrathin, atomic layer deposited (ALD) silicon oxide interfacial layer (SiL) between the amorphous oxide semiconductor (AOS) channel and the high-k gate dielectric. SiL…

Metasurfaces is an emerging field that enables the manipulation of light by an ultra-thin structure composed of sub-wavelength antennae and fulfills an important requirement for miniaturized optical elements. Finding a new design for a…

The discovery of molecules with tailored optoelectronic properties such as specific frequency and intensity of absorption or emission is a major challenge in creating next-generation organic light-emitting diodes (OLEDs) and photovoltaics.…

Chemical Physics · Physics 2022-04-27 James David Green , Eric Gabriel Fuemmeler , Timothy J. H. Hele

We explore a versatile technique for inverse designing 2D photonic crystal metasurfaces. These surfaces, known for their ability to manipulate light-matter interactions, can be precisely controlled to achieve specific functionalities. The…

Generative text-to-image models are advancing at an unprecedented pace, continuously shifting the perceptual quality ceiling and rendering previously collected labels unreliable for newer generations. To address this, we present ELIQ, a…

Computer Vision and Pattern Recognition · Computer Science 2026-04-30 Xinyue Li , Zhiming Xu , Min Tang , Zhaolin Cai , Sijing Wu , Xiongkuo Min , Yitong Chen , Guangtao Zhai

Deep Learning in Image Registration (DLIR) methods have been tremendously successful in image registration due to their speed and ability to incorporate weak label supervision at training time. However, existing DLIR methods forego many of…

Computer Vision and Pattern Recognition · Computer Science 2025-05-06 Rohit Jena , Pratik Chaudhari , James C. Gee

On-demand vibration mitigation in a mechanical system needs the suitable design of multiscale metastructures, involving complex unit cells. In this study, immersing in the world of patterns and examining the structural details of some…

The design of shape memory alloys (SMAs) with high transformation temperatures and large mechanical work output remains a longstanding challenge in functional materials engineering. Here, we introduce a data-driven framework based on…

Materials Science · Physics 2026-05-01 Cheng Li , Pengfei Danga , Yuehui Xiana , Yumei Zhou , Bofeng Shi , Xiangdong Ding , Jun Suna , Dezhen Xue

Adversarial Imitation Learning (AIL) is a class of algorithms in Reinforcement learning (RL), which tries to imitate an expert without taking any reward from the environment and does not provide expert behavior directly to the policy…

Machine Learning · Computer Science 2020-05-05 Samin Yeasar Arnob

Generative AI has redefined artificial intelligence, enabling the creation of innovative content and customized solutions that drive business practices into a new era of efficiency and creativity. In this paper, we focus on diffusion…

Machine Learning · Computer Science 2024-03-21 Zihao Li , Hui Yuan , Kaixuan Huang , Chengzhuo Ni , Yinyu Ye , Minshuo Chen , Mengdi Wang