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As in many other fields, the rapid rise of generative artificial intelligence is reshaping materials discovery by offering new ways to propose crystal structures and, in some cases, even predict desired properties. This review provides a…

Recent advances in diffusion models have significantly improved the synthesis of materials, textures, and 3D shapes. By conditioning these models via text or images, users can guide the generation, reducing the time required to create…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Marzia Riso , Giuseppe Vecchio , Fabio Pellacini

Quantum computing holds immense potential, yet its practical success depends on multiple factors, including advances in quantum circuit design. In this paper, we introduce a generative approach based on denoising diffusion models (DMs) to…

Quantum Physics · Physics 2025-07-24 Daniel Barta , Darya Martyniuk , Johannes Jung , Adrian Paschke

In this paper, we present a novel shape reconstruction method leveraging diffusion model to generate 3D sparse point cloud for the object captured in a single RGB image. Recent methods typically leverage global embedding or local…

Computer Vision and Pattern Recognition · Computer Science 2023-08-16 Yan Di , Chenyangguang Zhang , Pengyuan Wang , Guangyao Zhai , Ruida Zhang , Fabian Manhardt , Benjamin Busam , Xiangyang Ji , Federico Tombari

Deep learning based generative models such as deepfake have been able to generate amazing images and videos. However, these models may need significant transformation when applied to generate crystal materials structures in which the…

Materials Science · Physics 2021-12-15 Yong Zhao , Edirisuriya MD Siriwardane , Jianjun Hu

Since their introduction, diffusion models have quickly become the prevailing approach to generative modeling in many domains. They can be interpreted as learning the gradients of a time-varying sequence of log-probability density…

Accelerated materials discovery is an urgent demand to drive advancements in fields such as energy conversion, storage, and catalysis. Property-directed generative design has emerged as a transformative approach for rapidly discovering new…

Synthesizing realistic microstructure images conditioned on processing parameters is crucial for understanding process-structure relationships in materials design. However, this task remains challenging due to limited training micrographs…

Materials Science · Physics 2025-11-21 Hoang Cuong Phan , Minh Tien Tran , Chihun Lee , Hoheok Kim , Sehyeok Oh , Dong-Kyu Kim , Ho Won Lee

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

The Gaussian diffusion model, initially designed for image generation, has recently been adapted for 3D point cloud generation. However, these adaptations have not fully considered the intrinsic geometric characteristics of 3D shapes,…

Graphics · Computer Science 2024-08-01 Dengsheng Chen , Jie Hu , Xiaoming Wei , Enhua Wu

The field of visual computing is rapidly advancing due to the emergence of generative artificial intelligence (AI), which unlocks unprecedented capabilities for the generation, editing, and reconstruction of images, videos, and 3D scenes.…

Graph structures offer a versatile framework for representing diverse patterns in nature and complex systems, applicable across domains like molecular chemistry, social networks, and transportation systems. While diffusion models have…

Machine Learning · Computer Science 2024-06-10 Adrien Carrel

High-pressure research is a productive route to new structures and emergent properties. However, crucial high-pressure structural information remains highly fragmented across individual publications and heterogeneous computational…

Generative models have the potential to accelerate key steps in the discovery of novel molecular therapeutics and materials. Diffusion models have recently emerged as a powerful approach, excelling at unconditional sample generation and,…

Biomolecules · Quantitative Biology 2024-07-17 Leo Klarner , Tim G. J. Rudner , Garrett M. Morris , Charlotte M. Deane , Yee Whye Teh

Creative image generation has emerged as a compelling area of research, driven by the need to produce novel and high-quality images that expand the boundaries of imagination. In this work, we propose a novel framework for creative…

Computer Vision and Pattern Recognition · Computer Science 2026-02-04 Kunpeng Song , Ahmed Elgammal

The creation of high-quality 3D assets is paramount for applications in digital heritage preservation, entertainment, and robotics. Traditionally, this process necessitates skilled professionals and specialized software for the modeling,…

Computer Vision and Pattern Recognition · Computer Science 2024-07-30 Shen Chen , Jiale Zhou , Zhongyu Jiang , Tianfang Zhang , Zongkai Wu , Jenq-Neng Hwang , Lei Li

Generative models have recently shown great promise for accelerating the design and discovery of new functional materials. Conditional generation enhances this capacity by allowing inverse design, where specific desired properties can be…

Controllable layout generation aims at synthesizing plausible arrangement of element bounding boxes with optional constraints, such as type or position of a specific element. In this work, we try to solve a broad range of layout generation…

Computer Vision and Pattern Recognition · Computer Science 2023-03-15 Naoto Inoue , Kotaro Kikuchi , Edgar Simo-Serra , Mayu Otani , Kota Yamaguchi

Stably placing an object in a multi-object scene is a fundamental challenge in robotic manipulation, as placements must be penetration-free, establish precise surface contact, and result in a force equilibrium. To assess stability, existing…

Robotics · Computer Science 2025-09-29 Philippe Nadeau , Miguel Rogel , Ivan Bilić , Ivan Petrović , Jonathan Kelly

Data-driven machine learning methods have the potential to dramatically accelerate the rate of materials design over conventional human-guided approaches. These methods would help identify or, in the case of generative models, even create…

Materials Science · Physics 2022-07-28 Victor Fung , Shuyi Jia , Jiaxin Zhang , Sirui Bi , Junqi Yin , P. Ganesh
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