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We study how to generate molecule conformations (i.e., 3D structures) from a molecular graph. Traditional methods, such as molecular dynamics, sample conformations via computationally expensive simulations. Recently, machine learning…

Machine Learning · Computer Science 2021-04-01 Minkai Xu , Shitong Luo , Yoshua Bengio , Jian Peng , Jian Tang

Developing deep generative models has been an emerging field due to the ability to model and generate complex data for various purposes, such as image synthesis and molecular design. However, the advancement of deep generative models is…

Tremendous progress in deep generative models has led to photorealistic image synthesis. While achieving compelling results, most approaches operate in the two-dimensional image domain, ignoring the three-dimensional nature of our world.…

Computer Vision and Pattern Recognition · Computer Science 2021-04-01 Michael Niemeyer , Andreas Geiger

Semantic segmentation of medical images is pivotal in applications like disease diagnosis and treatment planning. While deep learning has excelled in automating this task, a major hurdle is the need for numerous annotated segmentation…

Image and Video Processing · Electrical Eng. & Systems 2024-09-02 Li Zhang , Basu Jindal , Ahmed Alaa , Robert Weinreb , David Wilson , Eran Segal , James Zou , Pengtao Xie

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

Learning the distribution of data on Riemannian manifolds is crucial for modeling data from non-Euclidean space, which is required by many applications in diverse scientific fields. Yet, existing generative models on manifolds suffer from…

Machine Learning · Computer Science 2024-06-04 Jaehyeong Jo , Sung Ju Hwang

Recently, several methods have leveraged deep generative modeling to produce example-based explanations of image classifiers. Despite producing visually stunning results, these methods are largely disconnected from classical explainability…

Machine Learning · Computer Science 2025-09-11 Philipp Vaeth , Alexander M. Fruehwald , Benjamin Paassen , Magda Gregorova

Deep generative models produce data according to a learned representation, e.g. diffusion models, through a process of approximation computing possible samples. Approximation can be understood as reconstruction and the large datasets used…

Human-Computer Interaction · Computer Science 2023-09-25 Luís Arandas , Mick Grierson , Miguel Carvalhais

We propose conformal generative modeling, a framework for generative modeling on 2D surfaces approximated by discrete triangle meshes. Our approach leverages advances in discrete conformal geometry to develop a map from a source triangle…

Machine Learning · Computer Science 2023-03-21 Victor Dorobantu , Charlotte Borcherds , Yisong Yue

We consider the task of generating realistic 3D shapes, which is useful for a variety of applications such as automatic scene generation and physical simulation. Compared to other 3D representations like voxels and point clouds, meshes are…

Graphics · Computer Science 2023-04-18 Zhen Liu , Yao Feng , Michael J. Black , Derek Nowrouzezahrai , Liam Paull , Weiyang Liu

For domains that involve numerical simulation, it can be computationally expensive to run an ensemble of simulations spanning a parameter space of interest to a user. To this end, an attractive surrogate for simulation is the generative…

Machine Learning · Computer Science 2025-05-13 Xiaohan Wang , Matthew Berger

Despite the astonishing progress in generative AI, 4D dynamic object generation remains an open challenge. With limited high-quality training data and heavy computing requirements, the combination of hallucinating unseen geometry together…

Computer Vision and Pattern Recognition · Computer Science 2025-04-18 Lu Sang , Zehranaz Canfes , Dongliang Cao , Riccardo Marin , Florian Bernard , Daniel Cremers

Generative models hold the promise of significantly expediting the materials design process when compared to traditional human-guided or rule-based methodologies. However, effectively generating high-quality periodic structures of materials…

Materials Science · Physics 2024-08-15 Anshuman Sinha , Shuyi Jia , Victor Fung

Text-to-image generative models have enabled high-resolution image synthesis across different domains, but require users to specify the content they wish to generate. In this paper, we consider the inverse problem -- given a collection of…

Computer Vision and Pattern Recognition · Computer Science 2023-08-04 Nan Liu , Yilun Du , Shuang Li , Joshua B. Tenenbaum , Antonio Torralba

Beyond high-fidelity image synthesis, diffusion models have recently exhibited promising results in dense visual perception tasks. However, most existing work treats diffusion models as a standalone component for perception tasks, employing…

Computer Vision and Pattern Recognition · Computer Science 2025-12-18 Shuhong Zheng , Zhipeng Bao , Ruoyu Zhao , Martial Hebert , Yu-Xiong Wang

This paper demonstrates how to use generative models trained for image synthesis as tools for visual data mining. Our insight is that since contemporary generative models learn an accurate representation of their training data, we can use…

Computer Vision and Pattern Recognition · Computer Science 2024-08-07 Ioannis Siglidis , Aleksander Holynski , Alexei A. Efros , Mathieu Aubry , Shiry Ginosar

Collecting and annotating datasets for pixel-level semantic segmentation tasks are highly labor-intensive. Data augmentation provides a viable solution by enhancing model generalization without additional real-world data collection.…

Computer Vision and Pattern Recognition · Computer Science 2026-03-20 Huy Che , Dinh-Duy Phan , Duc-Khai Lam

In recent advances of deep generative models, face reenactment -manipulating and controlling human face, including their head movement-has drawn much attention for its wide range of applicability. Despite its strong expressiveness, it is…

Computer Vision and Pattern Recognition · Computer Science 2022-02-23 Takuya Yashima , Takuya Narihira , Tamaki Kojima

The acquisition of large-scale, high-quality data is a resource-intensive and time-consuming endeavor. Compared to conventional Data Augmentation (DA) techniques (e.g. cropping and rotation), exploiting prevailing diffusion models for data…

Computer Vision and Pattern Recognition · Computer Science 2024-03-20 Yunxiang Fu , Chaoqi Chen , Yu Qiao , Yizhou Yu

Generative networks have shown remarkable success in learning complex data distributions, particularly in generating high-dimensional data from lower-dimensional inputs. While this capability is well-documented empirically, its theoretical…

Machine Learning · Computer Science 2025-04-02 Kevin Wang , Hongqian Niu , Yixin Wang , Didong Li
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