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Diffusion models have recently revolutionized the field of image synthesis due to their ability to generate photorealistic images. However, one of the major drawbacks of diffusion models is that the image generation process is costly. A…

Convolutional autoregressive models have recently demonstrated state-of-the-art performance on a number of generation tasks. While fast, parallel training methods have been crucial for their success, generation is typically implemented in a…

Recent advances in feature learning have shown that self-supervised vision foundation models can capture semantic correspondences but often lack awareness of underlying 3D geometry. GECO addresses this gap by producing geometrically…

Computer Vision and Pattern Recognition · Computer Science 2025-08-04 Regine Hartwig , Dominik Muhle , Riccardo Marin , Daniel Cremers

Video analytics pipelines have steadily shifted to edge deployments to reduce bandwidth overheads and privacy violations, but in doing so, face an ever-growing resource tension. Most notably, edge-box GPUs lack the memory needed to…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-05-06 Arthi Padmanabhan , Neil Agarwal , Anand Iyer , Ganesh Ananthanarayanan , Yuanchao Shu , Nikolaos Karianakis , Guoqing Harry Xu , Ravi Netravali

Current auto-regressive models can generate high-quality, topologically precise meshes; however, they necessitate thousands-or even tens of thousands-of next-token predictions during inference, resulting in substantial latency. We introduce…

Graphics · Computer Science 2025-08-07 Dian Chen , Yansong Qu , Xinyang Li , Ming Li , Shengchuan Zhang

The kernel embedding algorithm is an important component for adapting kernel methods to large datasets. Since the algorithm consumes a major computation cost in the testing phase, we propose a novel teacher-learner framework of learning…

Machine Learning · Statistics 2017-12-08 Jianqiao Wangni , Jingwei Zhuo , Jun Zhu

Novel architectures have recently improved generative image synthesis leading to excellent visual quality in various tasks. Much of this success is due to the scalability of these architectures and hence caused by a dramatic increase in…

Computer Vision and Pattern Recognition · Computer Science 2022-10-25 Andreas Blattmann , Robin Rombach , Kaan Oktay , Jonas Müller , Björn Ommer

The generation of 3D molecules requires simultaneously deciding the categorical features~(atom types) and continuous features~(atom coordinates). Deep generative models, especially Diffusion Models (DMs), have demonstrated effectiveness in…

Machine Learning · Computer Science 2023-12-13 Yuxuan Song , Jingjing Gong , Minkai Xu , Ziyao Cao , Yanyan Lan , Stefano Ermon , Hao Zhou , Wei-Ying Ma

Machine learning approaches have become popular for molecular modeling tasks, including molecular force fields and properties prediction. Traditional supervised learning methods suffer from scarcity of labeled data for particular tasks,…

Chemical Physics · Physics 2022-11-29 Xiang Gao , Weihao Gao , Wenzhi Xiao , Zhirui Wang , Chong Wang , Liang Xiang

The length and time scales of atomistic simulations are limited by the computational cost of the methods used to predict material properties. In recent years there has been great progress in the use of machine learning algorithms to develop…

Computational Physics · Physics 2022-11-03 Alberto Hernandez , Adarsh Balasubramanian , Fenglin Yuan , Simon Mason , Tim Mueller

The design of molecules and materials with tailored properties is challenging, as candidate molecules must satisfy multiple competing requirements that are often difficult to measure or compute. While molecular structures, produced through…

Chemical Physics · Physics 2023-02-07 Julia Westermayr , Joe Gilkes , Rhyan Barrett , Reinhard J. Maurer

3D generative modeling is accelerating as the technology allowing the capture of geometric data is developing. However, the acquired data is often inconsistent, resulting in unregistered meshes or point clouds. Many generative learning…

Computer Vision and Pattern Recognition · Computer Science 2023-06-29 Thomas Besnier , Sylvain Arguillère , Emery Pierson , Mohamed Daoudi

In order to solve the problems of long training time, large consumption of computing resources and huge parameter amount of GAN network in image generation, this paper proposes an improved GAN network model, which is named Faster Projected…

Computer Vision and Pattern Recognition · Computer Science 2024-03-15 Chuang Wang , Zhengping Li , Yuwen Hao , Lijun Wang , Xiaoxue Li

Diffusion models have emerged as powerful generative models, but their high computation cost in iterative sampling remains a significant bottleneck. In this work, we present an in-depth and insightful study of state-of-the-art acceleration…

Computer Vision and Pattern Recognition · Computer Science 2025-11-19 Weizhi Gao , Zhichao Hou , Junqi Yin , Feiyi Wang , Linyu Peng , Xiaorui Liu

Searching new molecules in areas like drug discovery often starts from the core structures of candidate molecules to optimize the properties of interest. The way as such has called for a strategy of designing molecules retaining a…

Machine Learning · Computer Science 2020-09-03 Jaechang Lim , Sang-Yeon Hwang , Seungsu Kim , Seokhyun Moon , Woo Youn Kim

Diffusion transformers have shown significant effectiveness in both image and video synthesis at the expense of huge computation costs. To address this problem, feature caching methods have been introduced to accelerate diffusion…

Machine Learning · Computer Science 2025-02-20 Chang Zou , Xuyang Liu , Ting Liu , Siteng Huang , Linfeng Zhang

Generative models in molecular design tend to be richly parameterized, data-hungry neural models, as they must create complex structured objects as outputs. Estimating such models from data may be challenging due to the lack of sufficient…

Machine Learning · Computer Science 2021-08-17 Kevin Yang , Wengong Jin , Kyle Swanson , Regina Barzilay , Tommi Jaakkola

The crucial role of convolutional models, both as standalone vision models and backbones in foundation models, necessitates effective acceleration techniques. This paper proposes a novel method to learn semi-structured sparsity patterns for…

Machine Learning · Computer Science 2024-11-04 David A. Danhofer

Geometric representation-conditioned molecule generation provides an effective paradigm that decouples molecule representation modeling from structure generation. By decoupling molecule generation into two stages-first generating a…

Machine Learning · Computer Science 2026-05-11 Shaoheng Yan , Zian Li , Cai Zhou , Qiaojing Huang , Kai Liu , Muhan Zhang

Fast and accurate generation of molecular conformers is desired for downstream computational chemistry and drug discovery tasks. Currently, training and sampling state-of-the-art diffusion or flow-based models for conformer generation…