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Related papers: LLM Meets Diffusion: A Hybrid Framework for Crysta…

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Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials.…

Machine Learning · Computer Science 2024-06-05 Sherry Yang , KwangHwan Cho , Amil Merchant , Pieter Abbeel , Dale Schuurmans , Igor Mordatch , Ekin Dogus Cubuk

Determining whether a candidate crystalline material is thermodynamically stable depends on identifying its true ground-state structure, a central challenge in computational materials science. We introduce CrystalGRW, a diffusion-based…

Diffusion models have exhibited substantial success in text-to-image generation. However, they often encounter challenges when dealing with complex and dense prompts involving multiple objects, attribute binding, and long descriptions. In…

Computer Vision and Pattern Recognition · Computer Science 2024-08-28 Mushui Liu , Yuhang Ma , Yang Zhen , Jun Dan , Yunlong Yu , Zeng Zhao , Zhipeng Hu , Bai Liu , Changjie Fan

Generative modeling has emerged as a promising approach for crystal structure discovery. However, existing LLM-based generative models struggle with low-level atomic precision, while diffusion-based methods fall short in integrating…

Artificial Intelligence · Computer Science 2026-05-18 Yuyang Wu , Stefano Falletta , Delia McGrath , Sherry Yang

In the burgeoning field of natural language processing (NLP), Neural Topic Models (NTMs) , Large Language Models (LLMs) and Diffusion model have emerged as areas of significant research interest. Despite this, NTMs primarily utilize…

Computation and Language · Computer Science 2023-12-27 Weijie Xu , Wenxiang Hu , Fanyou Wu , Srinivasan Sengamedu

Fashionable image generation aims to synthesize images of diverse fashion prevalent around the globe, helping fashion designers in real-time visualization by giving them a basic customized structure of how a specific design preference would…

Computer Vision and Pattern Recognition · Computer Science 2023-06-14 Krishna Sri Ipsit Mantri , Nevasini Sasikumar

Fashion content generation is an emerging area at the intersection of artificial intelligence and creative design, with applications ranging from virtual try-on to culturally diverse design prototyping. Existing methods often struggle with…

Computation and Language · Computer Science 2025-01-28 Spencer Ramsey , Amina Grant , Jeffrey Lee

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and…

The synthesis of inorganic crystalline materials is essential for modern technology, especially in quantum materials development. However, designing efficient synthesis workflows remains a significant challenge due to the precise…

Although diffusion language models (DLMs) are evolving quickly, many recent models converge on a set of shared components. These components, however, are distributed across ad-hoc research codebases or lack transparent implementations,…

Computation and Language · Computer Science 2026-02-27 Zhanhui Zhou , Lingjie Chen , Hanghang Tong , Dawn Song

Generative models have become significant assets in the exploration and identification of new materials, enabling the rapid proposal of candidate crystal structures that satisfy target properties. Despite the increasing adoption of diverse…

Machine Learning · Computer Science 2025-10-21 Charles Rhys Campbell , Aldo H. Romero , Kamal Choudhary

Latent diffusion models offer an attractive alternative to discrete diffusion for non-autoregressive text generation by operating on continuous text representations and denoising entire sequences in parallel. The major challenge in latent…

Computation and Language · Computer Science 2026-05-11 Viacheslav Meshchaninov , Alexander Shabalin , Egor Chimbulatov , Nikita Gushchin , Ilya Koziev , Alexander Korotin , Dmitry Vetrov

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

Recent advances in deep learning have enabled the generation of realistic data by training generative models on large datasets of text, images, and audio. While these models have demonstrated exceptional performance in generating novel and…

Materials Science · Physics 2024-06-17 Izumi Takahara , Kiyou Shibata , Teruyasu Mizoguchi

This paper provides an in-depth examination of the concept of semantic diffusion as a complementary instrument to large language models (LLMs) for design applications. Conventional LLMs and diffusion models fail to induce a convergent,…

Human-Computer Interaction · Computer Science 2025-05-15 Alexander P. Ryjov , Alina A. Egorova

Latent Diffusion Models (LDMs) enable high-quality image synthesis while avoiding excessive compute demands by training a diffusion model in a compressed lower-dimensional latent space. Here, we apply the LDM paradigm to high-resolution…

Computer Vision and Pattern Recognition · Computer Science 2023-12-29 Andreas Blattmann , Robin Rombach , Huan Ling , Tim Dockhorn , Seung Wook Kim , Sanja Fidler , Karsten Kreis

Generative machine learning (ML) models hold great promise for accelerating materials discovery through the inverse design of inorganic crystals, enabling an unprecedented exploration of chemical space. Yet, the lack of standardized…

Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior…

Generating novel crystalline materials has the potential to lead to advancements in fields such as electronics, energy storage, and catalysis. The defining characteristic of crystals is their symmetry, which plays a central role in…

Diffusion models have exhibit exceptional performance in text-to-image generation and editing. However, existing methods often face challenges when handling complex text prompts that involve multiple objects with multiple attributes and…

Computer Vision and Pattern Recognition · Computer Science 2024-06-05 Ling Yang , Zhaochen Yu , Chenlin Meng , Minkai Xu , Stefano Ermon , Bin Cui