English
Related papers

Related papers: polyGen: A Learning Framework for Atomic-level Pol…

200 papers

Text-to-3D generation has shown great promise in generating novel 3D content based on given text prompts. However, existing generative methods mostly focus on geometric or visual plausibility while ignoring precise physics perception for…

Computer Vision and Pattern Recognition · Computer Science 2024-03-20 Qingshan Xu , Jiao Liu , Melvin Wong , Caishun Chen , Yew-Soon Ong

With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

Biomolecules · Quantitative Biology 2020-10-14 Vitali Nesterov , Mario Wieser , Volker Roth

Modern 3D generation methods can rapidly create shapes from sparse or single views, but their outputs often lack geometric detail due to computational constraints. We present DetailGen3D, a generative approach specifically designed to…

Computer Vision and Pattern Recognition · Computer Science 2025-04-02 Ken Deng , Yuan-Chen Guo , Jingxiang Sun , Zi-Xin Zou , Yangguang Li , Xin Cai , Yan-Pei Cao , Yebin Liu , Ding Liang

Generating high-quality physically based rendering (PBR) materials is important to achieve realistic rendering in the downstream tasks, yet it remains challenging due to the intertwined effects of materials and lighting. While existing…

Computer Vision and Pattern Recognition · Computer Science 2025-03-17 Xiaokang Wei , Bowen Zhang , Xianghui Yang , Yuxuan Wang , Chunchao Guo , Xi Zhao , Yan Luximon

At the cutting edge of materials science, matter is designed to self-organize into structures that perform a wide range of functions. The past two decades have witnessed major innovations in the versatility of building blocks, ranging from…

Soft Condensed Matter · Physics 2022-09-26 Angus McMullen , Maitane Muñoz Basagoiti , Zorana Zeravcic , Jasna Brujic

Polymers are large macromolecules composed of repeating structural units known as monomers and are widely applied in fields such as energy storage, construction, medicine, and aerospace. However, existing graph neural network methods,…

Machine Learning · Computer Science 2026-01-06 Yihan Zhu , Gang Liu , Eric Inae , Tengfei Luo , Meng Jiang

One of the grand challenges of utilizing machine learning for the discovery of innovative new polymers lies in the difficulty of accurately representing the complex structures of polymeric materials. Although a wide array of hand-designed…

Materials Science · Physics 2022-05-30 Evan R. Antoniuk , Peggy Li , Bhavya Kailkhura , Anna M. Hiszpanski

Human creativity follows a perceptual process, moving from abstract ideas to finer details during creation. While 3D generative models have advanced dramatically, models specifically designed to assist human imagination in 3D creation --…

Computer Vision and Pattern Recognition · Computer Science 2026-02-25 Juil Koo , Wei-Tung Lin , Chanho Park , Chanhyeok Park , Minhyuk Sung

Despite substantial progress in text-driven 3D human motion synthesis, generating realistic multi-person interaction sequences remains challenging. Notably, body inter-penetration is a pervasive issue from both data acquisition to the…

Computer Vision and Pattern Recognition · Computer Science 2026-05-04 Nan Lei , Yuan-Ming Li , Ling-An Zeng , Liang Xu , Zhi-Wei Xia , Hui-Wen Huang , Fa-Ting Hong , Wei-Shi Zheng

The recent advances in text and image synthesis show a great promise for the future of generative models in creative fields. However, a less explored area is the one of 3D model generation, with a lot of potential applications to game…

Computer Vision and Pattern Recognition · Computer Science 2023-12-14 Antoine Schnepf , Flavian Vasile , Ugo Tanielian

A wide range of synthesized crystalline inorganic materials exhibit compositional disorder, where multiple atomic species partially occupy the same crystallographic site. As a result, the physical and chemical properties of such materials…

This paper systematically reviews the research progress and application prospects of machine learning technologies in the field of polymer materials. Currently, machine learning methods are developing rapidly in polymer material research;…

Materials Science · Physics 2025-10-31 Hongtao Guo Shuai Li Shu Li

From AlexNet to Inception, autoencoders to diffusion models, the development of novel and powerful deep learning models and learning algorithms has proceeded at breakneck speeds. In part, we believe that rapid iteration of model…

Computational Engineering, Finance, and Science · Computer Science 2022-11-17 Shehtab Zaman , Ethan Ferguson , Cecile Pereira , Denis Akhiyarov , Mauricio Araya-Polo , Kenneth Chiu

High-quality quadrilateral mesh generation is a fundamental challenge in computer graphics. Traditional optimization-based methods are often constrained by the topological quality of input meshes and suffer from severe efficiency…

Graphics · Computer Science 2026-03-12 Yuguang Chen , Xinhai Liu , Xiangyu Zhu , Yiling Zhu , Zhuo Chen , Dongyu Zhang , Chunchao Guo

Recent advances in 3D scene generation produce visually appealing output, but current representations hinder artists' workflows that require modifiable 3D textured mesh scenes for visual effects and game development. Despite significant…

Computer Vision and Pattern Recognition · Computer Science 2025-12-22 Tobias Sautter , Jan-Niklas Dihlmann , Hendrik P. A. Lensch

Machine-learning (ML) models in polymer science typically treat a polymer as a single, perfectly defined molecular graph, even though real materials consist of stochastic ensembles of chains with distributed lengths. This mismatch between…

Machine Learning · Computer Science 2025-12-16 Khalid Ferji

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

We present a method for generating physically-based materials for 3D shapes based on a video diffusion transformer architecture. Our method is conditioned on input geometry and a text description, and jointly models multiple material…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Jon Hasselgren , Zheng Zeng , Milos Hasan , Jacob Munkberg

A computational framework that leverages data from self-consistent field theory simulations with deep learning to accelerate the exploration of parameter space for block copolymers is presented. This is a substantial two-dimensional…

Materials Science · Physics 2023-07-04 Yao Xuan , Kris T. Delaney , Hector D. Ceniceros , Glenn H. Fredrickson

Generative models for 3D object synthesis have seen significant advancements with the incorporation of prior knowledge distilled from 2D diffusion models. Nevertheless, challenges persist in the form of multi-view geometric inconsistencies…

Computer Vision and Pattern Recognition · Computer Science 2023-11-20 Lincong Feng , Muyu Wang , Maoyu Wang , Kuo Xu , Xiaoli Liu