相关论文: Inverse Design of Next-generation Superconductors …

Diffusion models have become increasingly popular for generative modeling due to their ability to generate high-quality samples. This has unlocked exciting new possibilities for solving inverse problems, especially in image restoration and…

Learning from a large corpus of data, pre-trained models have achieved impressive progress nowadays. As popular generative pre-training, diffusion models capture both low-level visual knowledge and high-level semantic relations. In this…

Diffusion model, the state-of-the-art generative machine learning architecture, has shown promising results airfoil inverse designs. In this study, we implemented and trained a series of diffusion models on three different airfoil geometry…

We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen Cooper Schrieffer inspired pre-screening of 1736 materials with high Debye temperature and electronic density of states. Next, we…

Microstructure reconstruction, a major component of inverse computational materials engineering, is currently advancing at an unprecedented rate. While various training-based and training-free approaches are developed, the majority of…

Discovering new physical products and processes often demands enormous experimentation and expensive simulation. To design a new product with certain target characteristics, an extensive search is performed in the design space by trying out…

The inverse design of metamaterial architectures presents a significant challenge, particularly for nonlinear mechanical properties involving large deformations, buckling, contact, and plasticity. Traditional methods, such as gradient-based…

Diffusion models have become a successful approach for solving various image inverse problems by providing a powerful diffusion prior. Many studies tried to combine the measurement into diffusion by score function replacement, matrix…

We introduce MxDiffusion, a hybrid physics- and data-driven diffusion-based framework that enables efficient and highly accurate generation of photonic structures from target optical properties. The improved accuracy is achieved through a…

Inverse problems aim to determine parameters from observations, a crucial task in engineering and science. Lately, generative models, especially diffusion models, have gained popularity in this area for their ability to produce realistic…

We investigate the construction of generative models capable of encoding physical constraints that can be hard to express explicitly. For the problem of inverse material design, where one seeks to design a material with a prescribed set of…

The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calculations. In this work, we alleviate this issue by extending…

Inverse design of optical components based on adjoint sensitivity analysis has the potential to address the most challenging photonic engineering problems. However existing inverse design tools based on finite-difference-time-domain (FDTD)…

Conventional generative models for materials discovery are predominantly trained and validated using data from Density Functional Theory (DFT) with approximate exchange-correlation functionals. This creates a fundamental bottleneck: these…

We used the superconductors in the SuperCon database to construct element vectors and then perform unsupervised learning of their critical temperatures (T$_c$). Only the chemical composition of superconductors was used in this procedure. No…

Inverse design of metasurfaces for specific electromagnetic responses requires generating geometries that satisfy stringent spectral constraints while maintaining manufacturability. Conventional design methodologies rely on iterative…

Crystal structure determination from powder diffraction patterns is a complex challenge in materials science, often requiring extensive expertise and computational resources. This study introduces DiffractGPT, a generative pre-trained…

Superconductivity is a remarkable phenomenon in condensed matter physics, which comprises a fascinating array of properties expected to revolutionize energy-related technologies and pertinent fundamental research. However, the field faces…

Recent advances in meta-optics have enabled diverse functionalities in compact optical devices; however, conventional forward design approaches become inadequate as device complexity and scale grow. Inverse design offers a powerful…

Diffusion models gain increasing popularity for their generative capabilities. Recently, there have been surging needs to generate customized images by inverting diffusion models from exemplar images, and existing inversion methods mainly…