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Recent advances in self-supervised learning for EEG representation have largely relied on masked reconstruction, where models are trained to recover randomly masked signal segments. While effective at modeling local dependencies, such…

Machine Learning · Computer Science 2026-04-17 Shaocong Wang , Tong Liu , Yihan Li , Ming Li , Kairui Wen , Pei Yang , Wenqi Ji , Minjing Yu , Yong-Jin Liu

The recently proposed crystal graph convolutional neural network (CGCNN) offers a highly versatile and accurate machine learning (ML) framework by learning material properties directly from graph-like representations of crystal structures…

Computational Physics · Physics 2020-07-01 Cheol Woo Park , Chris Wolverton

The paradigm shift toward structure-driven molecule generation has been propelled by advances in deep generative models, such as variational auto-encoders and diffusion models. However, these generative models for molecular design remain…

Machine Learning · Computer Science 2026-04-17 Peidong Liu , Wenbo Zhang , Wei Ju , Jiancheng Lv , Xianggen Liu

Diffusion models have emerged as powerful tools for molecular generation, particularly in the context of 3D molecular structures. Inspired by non-equilibrium statistical physics, these models can generate 3D molecular structures with…

Chemical Physics · Physics 2025-05-16 Amira Alakhdar , Barnabas Poczos , Newell Washburn

Generative models for crystalline materials often rely on equivariant graph neural networks, which capture geometric structure well but are costly to train and slow to sample. We present Crystalite, a lightweight diffusion Transformer for…

Machine Learning · Computer Science 2026-04-03 Tin Hadži Veljković , Joshua Rosenthal , Ivor Lončarić , Jan-Willem van de Meent

We train a feed-forward text-to-3D diffusion generator for human characters using only single-view 2D data for supervision. Existing 3D generative models cannot yet match the fidelity of image or video generative models. State-of-the-art 3D…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Souhaib Attaiki , Paul Guerrero , Duygu Ceylan , Niloy J. Mitra , Maks Ovsjanikov

Understanding and representing the structure of 3D objects in an unsupervised manner remains a core challenge in computer vision and graphics. Most existing unsupervised keypoint methods are not designed for unconditional generative…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Rhys Newbury , Juyan Zhang , Tin Tran , Hanna Kurniawati , Dana Kulić

To address the data scarcity associated with 3D assets, 2D-lifting techniques such as Score Distillation Sampling (SDS) have become a widely adopted practice in text-to-3D generation pipelines. However, the diffusion models used in these…

Computer Vision and Pattern Recognition · Computer Science 2025-01-23 Utkarsh Nath , Rajeev Goel , Eun Som Jeon , Changhoon Kim , Kyle Min , Yezhou Yang , Yingzhen Yang , Pavan Turaga

Modern successes of diffusion models in learning complex, high-dimensional data distributions are attributed, in part, to their capability to construct diffusion processes with analytic transition kernels and score functions. The…

Machine Learning · Statistics 2024-03-01 Guan-Horng Liu , Tianrong Chen , Evangelos A. Theodorou , Molei Tao

There has been a recent surge of interest in using machine learning to approximate density functional theory (DFT) in materials science. However, many of the most performant models are evaluated on large databases of computed properties of,…

Materials Science · Physics 2021-07-02 Filip Ekström , Rickard Armiento , Fredrik Lindsten

Weather forecasting requires not only accuracy but also the ability to perform probabilistic prediction. However, deterministic weather forecasting methods do not support probabilistic predictions, and conversely, probabilistic models tend…

Computer Vision and Pattern Recognition · Computer Science 2023-12-06 Donggeun Yoon , Minseok Seo , Doyi Kim , Yeji Choi , Donghyeon Cho

Generative modeling of 3D LiDAR data is an emerging task with promising applications for autonomous mobile robots, such as scalable simulation, scene manipulation, and sparse-to-dense completion of LiDAR point clouds. While existing…

Computer Vision and Pattern Recognition · Computer Science 2024-03-05 Kazuto Nakashima , Ryo Kurazume

We introduce JointNet, a novel neural network architecture for modeling the joint distribution of images and an additional dense modality (e.g., depth maps). JointNet is extended from a pre-trained text-to-image diffusion model, where a…

Computer Vision and Pattern Recognition · Computer Science 2023-10-11 Jingyang Zhang , Shiwei Li , Yuanxun Lu , Tian Fang , David McKinnon , Yanghai Tsin , Long Quan , Yao Yao

We present the Groupwise Diffusion Model (GDM), which divides data into multiple groups and diffuses one group at one time interval in the forward diffusion process. GDM generates data sequentially from one group at one time interval,…

Computer Vision and Pattern Recognition · Computer Science 2023-10-03 Sangyun Lee , Gayoung Lee , Hyunsu Kim , Junho Kim , Youngjung Uh

Event-based video reconstruction has garnered increasing attention due to its advantages, such as high dynamic range and rapid motion capture capabilities. However, current methods often prioritize the extraction of temporal information…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Lin Zhu , Yunlong Zheng , Yijun Zhang , Xiao Wang , Lizhi Wang , Hua Huang

Text-to-video (T2V) diffusion models have recently achieved impressive visual quality, yet most systems still generate silent clips and treat audio as a secondary concern. Existing audio-video generation pipelines typically decompose the…

We consider representation learning on periodic graphs encoding crystal materials. Different from regular graphs, periodic graphs consist of a minimum unit cell repeating itself on a regular lattice in 3D space. How to effectively encode…

Machine Learning · Computer Science 2022-09-27 Keqiang Yan , Yi Liu , Yuchao Lin , Shuiwang Ji

By formulating data samples' formation as a Markov denoising process, diffusion models achieve state-of-the-art performances in a collection of tasks. Recently, many variants of diffusion models have been proposed to enable controlled…

Machine Learning · Computer Science 2023-04-17 Hengtong Zhang , Tingyang Xu

The availability of large-scale multimodal datasets and advancements in diffusion models have significantly accelerated progress in 4D content generation. Most prior approaches rely on multiple image or video diffusion models, utilizing…

Computer Vision and Pattern Recognition · Computer Science 2024-05-28 Hanwen Liang , Yuyang Yin , Dejia Xu , Hanxue Liang , Zhangyang Wang , Konstantinos N. Plataniotis , Yao Zhao , Yunchao Wei

Machine learning (ML) based materials discovery has emerged as one of the most promising approaches for breakthroughs in materials science. While heuristic knowledge based descriptors have been combined with ML algorithms to achieve good…

Materials Science · Physics 2021-09-28 Sadman Sadeed Omee , Steph-Yves Louis , Nihang Fu , Lai Wei , Sourin Dey , Rongzhi Dong , Qinyang Li , Jianjun Hu