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Bridging generative foundation models with non-equilibrium thin-film synthesis remains a central challenge, limiting the practical impact of AI-driven materials discovery on semiconductor dielectrics. Here, we introduce IDEAL (Inverse…

Materials Science · Physics 2026-03-11 Bonwook Gu , Trinh Ngoc Le , Wonjoong Kim , Zunair Masroor , Han-Bo-Ram Lee

The observation of superconductivity in hydride-based materials under ultrahigh pressures (for example, H$_3$S and LaH$_{10}$) has fueled the interest in a more data-driven approach to discovering new high-pressure hydride superconductors.…

Materials Science · Physics 2024-06-04 Daniel Wines , Kamal Choudhary

Generative machine learning models can use data generated by scientific modeling to create large quantities of novel material structures. Here, we assess how one state-of-the-art generative model, the physics-guided crystal generation model…

Two dimensional (2D) materials have emerged as promising functional materials with many applications such as semiconductors and photovoltaics because of their unique optoelectronic properties. While several thousand 2D materials have been…

Materials Science · Physics 2020-12-18 Yuqi Song , Edirisuriya M. Dilanga Siriwardane , Yong Zhao , Jianjun Hu

Artificial intelligence (AI) is transforming materials science, enabling both theoretical advancements and accelerated materials discovery. Recent progress in crystal generation models, which design crystal structures for targeted…

Materials Science · Physics 2025-02-25 Zhuoyuan Li , Siyu Liu , Beilin Ye , David J. Srolovitz , Tongqi Wen

The advent of two-dimensional metamaterials in recent years has ushered in a revolutionary means to manipulate the behavior of light on the nanoscale. The effective parameters of these architected materials render unprecedented control over…

Optics · Physics 2018-11-14 Zhaocheng Liu , Dayu Zhu , Sean P. Rodrigues , Kyu-Tae Lee , Wenshan Cai

Metamaterials are artificially engineered structures that manipulate electromagnetic waves, having optical properties absent in natural materials. Recently, machine learning for the inverse design of metamaterials has drawn attention.…

Superconductivity has been the focus of enormous research effort since its discovery more than a century ago. Yet, some features of this unique phenomenon remain poorly understood; prime among these is the connection between…

Mechanical metamaterial is a synthetic material that can possess extraordinary physical characteristics, such as abnormal elasticity, stiffness, and stability, by carefully designing its internal structure. To make metamaterials contain…

Computational Engineering, Finance, and Science · Computer Science 2024-06-11 Yanyan Yang , Lili Wang , Xiaoya Zhai , Kai Chen , Wenming Wu , Yunkai Zhao , Ligang Liu , Xiao-Ming Fu

Metamaterials, synthetic materials with customized properties, have emerged as a promising field due to advancements in additive manufacturing. These materials derive unique mechanical properties from their internal lattice structures,…

Artificial Intelligence · Computer Science 2024-10-01 Jaewan Park , Shashank Kushwaha , Junyan He , Seid Koric , Qibang Liu , Iwona Jasiuk , Diab Abueidda

Due to the high potential for abuse of GenAI systems, the task of detecting synthetic images has recently become of great interest to the research community. Unfortunately, existing image-space detectors quickly become obsolete as new…

Computer Vision and Pattern Recognition · Computer Science 2024-06-14 George Cazenavette , Avneesh Sud , Thomas Leung , Ben Usman

Cross-Modal learning tasks have picked up pace in recent times. With plethora of applications in diverse areas, generation of novel content using multiple modalities of data has remained a challenging problem. To address the same, various…

Computer Vision and Pattern Recognition · Computer Science 2023-07-12 Nikhil Verma

As deep generative models proliferate across the AI landscape, industrial practitioners still face critical yet unanswered questions about which deep generative models best suit complex manufacturing design tasks. This work addresses this…

Machine Learning · Computer Science 2025-08-27 Fouad Oubari , Raphael Meunier , Rodrigue Décatoire , Mathilde Mougeot

Efficiently generating energetically stable crystal structures has long been a challenge in material design, primarily due to the immense arrangement of atoms in a crystal lattice. To facilitate the discovery of stable material, we present…

Artificial Intelligence · Computer Science 2025-09-30 Zhelin Li , Rami Mrad , Runxian Jiao , Guan Huang , Jun Shan , Shibing Chu , Yuanping Chen

A supervised machine learning (ML) based computational methodology for the design of particulate multifunctional composite materials with desired thermal conductivity (TC) is presented. The design variables are physical descriptors of the…

Computational Physics · Physics 2025-07-25 Mohammad Saber Hashemi , Masoud Safdari , Azadeh Sheidaei

Complex nanophotonic structures hold the potential to deliver exquisitely tailored optical responses for a range of applications. Metal-insulator-metal (MIM) metasurfaces arranged in supercells, for instance, can be tailored by geometry and…

Realizing general inverse design could greatly accelerate the discovery of new materials with user-defined properties. However, state-of-the-art generative models tend to be limited to a specific composition or crystal structure. Herein, we…

Diffusion models have emerged as the new state-of-the-art generative model with high quality samples, with intriguing properties such as mode coverage and high flexibility. They have also been shown to be effective inverse problem solvers,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-06 Hyungjin Chung , Dohoon Ryu , Michael T. McCann , Marc L. Klasky , Jong Chul Ye

In addition to the forward inference of materials properties using machine learning, generative deep learning techniques applied on materials science allow the inverse design of materials, i.e., assessing the…

Materials Science · Physics 2024-10-01 Teng Long , Yixuan Zhang , Hongbin Zhang

The design of metamaterials which support unique optical responses is the basis for most thin-film nanophotonics applications. In practice this inverse design problem can be difficult to solve systematically due to the large design…

Computational Physics · Physics 2026-05-25 Andrew Lininger , Michael Hinczewski , Giuseppe Strangi