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Deep generative models are increasingly becoming integral parts of the in silico molecule design pipeline and have dual goals of learning the chemical and structural features that render candidate molecules viable while also being flexible…

Biomolecules · Quantitative Biology 2021-06-08 Yair Schiff , Vijil Chenthamarakshan , Karthikeyan Natesan Ramamurthy , Payel Das

We introduce a new generative approach for synthesizing 3D geometry and images from single-view collections. Most existing approaches predict volumetric density to render multi-view consistent images. By employing volumetric rendering using…

Computer Vision and Pattern Recognition · Computer Science 2024-06-17 Salvatore Esposito , Qingshan Xu , Kacper Kania , Charlie Hewitt , Octave Mariotti , Lohit Petikam , Julien Valentin , Arno Onken , Oisin Mac Aodha

We introduce SDM-NET, a deep generative neural network which produces structured deformable meshes. Specifically, the network is trained to generate a spatial arrangement of closed, deformable mesh parts, which respect the global part…

Graphics · Computer Science 2019-09-04 Lin Gao , Jie Yang , Tong Wu , Yu-Jie Yuan , Hongbo Fu , Yu-Kun Lai , Hao Zhang

Generative modeling aims to generate new data samples that resemble a given dataset, with diffusion models recently becoming the most popular generative model. One of the main challenges of diffusion models is solving the problem in the…

Numerical Analysis · Mathematics 2025-10-08 Wonjun Lee , Riley C. W. O'Neill , Dongmian Zou , Jeff Calder , Gilad Lerman

We present ShapeFlow, a flow-based model for learning a deformation space for entire classes of 3D shapes with large intra-class variations. ShapeFlow allows learning a multi-template deformation space that is agnostic to shape topology,…

Computer Vision and Pattern Recognition · Computer Science 2021-06-25 Chiyu "Max" Jiang , Jingwei Huang , Andrea Tagliasacchi , Leonidas Guibas

We present a StyleGAN2-based deep learning approach for 3D shape generation, called SDF-StyleGAN, with the aim of reducing visual and geometric dissimilarity between generated shapes and a shape collection. We extend StyleGAN2 to 3D…

Computer Vision and Pattern Recognition · Computer Science 2022-06-27 Xin-Yang Zheng , Yang Liu , Peng-Shuai Wang , Xin Tong

We introduce the Sphere Encoder, an efficient generative framework capable of producing images in a single forward pass and competing with many-step diffusion models using fewer than five steps. Our approach works by learning an encoder…

Computer Vision and Pattern Recognition · Computer Science 2026-02-17 Kaiyu Yue , Menglin Jia , Ji Hou , Tom Goldstein

Current diffusion or flow-based generative models for 3D shapes divide to two: distilling pre-trained 2D image diffusion models, and training directly on 3D shapes. When training a diffusion or flow models on 3D shapes a crucial design…

Computer Vision and Pattern Recognition · Computer Science 2024-04-25 Lior Yariv , Omri Puny , Natalia Neverova , Oran Gafni , Yaron Lipman

Neural networks that map 3D coordinates to signed distance function (SDF) or occupancy values have enabled high-fidelity implicit representations of object shape. This paper develops a new shape model that allows synthesizing novel distance…

Computer Vision and Pattern Recognition · Computer Science 2021-12-07 Ehsan Zobeidi , Nikolay Atanasov

We propose a new class of generative diffusion models, called functional diffusion. In contrast to previous work, functional diffusion works on samples that are represented by functions with a continuous domain. Functional diffusion can be…

Computer Vision and Pattern Recognition · Computer Science 2023-11-28 Biao Zhang , Peter Wonka

Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph…

Machine Learning · Computer Science 2024-02-07 Chenqing Hua , Sitao Luan , Minkai Xu , Rex Ying , Jie Fu , Stefano Ermon , Doina Precup

Image generation models trained on large datasets can synthesize high-quality images but often produce spatially inconsistent and distorted images due to limited information about the underlying structures and spatial layouts. In this work,…

Computer Vision and Pattern Recognition · Computer Science 2025-11-27 Hyundo Lee , Suhyung Choi , Inwoo Hwang , Byoung-Tak Zhang

Synthesizing realistic microstructure images conditioned on processing parameters is crucial for understanding process-structure relationships in materials design. However, this task remains challenging due to limited training micrographs…

Materials Science · Physics 2025-11-21 Hoang Cuong Phan , Minh Tien Tran , Chihun Lee , Hoheok Kim , Sehyeok Oh , Dong-Kyu Kim , Ho Won Lee

Generative models have achieved impressive results in many domains including image and text generation. In the natural sciences, generative models have led to rapid progress in automated drug discovery. Many of the current methods focus on…

Machine Learning · Computer Science 2019-09-04 Jordan Hoffmann , Louis Maestrati , Yoshihide Sawada , Jian Tang , Jean Michel Sellier , Yoshua Bengio

Representing 3D shape in deep learning frameworks in an accurate, efficient and compact manner still remains an open challenge. Most existing work addresses this issue by employing voxel-based representations. While these approaches benefit…

Computer Vision and Pattern Recognition · Computer Science 2019-01-25 Dominic Jack , Jhony K. Pontes , Sridha Sridharan , Clinton Fookes , Sareh Shirazi , Frederic Maire , Anders Eriksson

Diffusion probabilistic models (DPMs) have achieved remarkable quality in image generation that rivals GANs'. But unlike GANs, DPMs use a set of latent variables that lack semantic meaning and cannot serve as a useful representation for…

Computer Vision and Pattern Recognition · Computer Science 2022-03-14 Konpat Preechakul , Nattanat Chatthee , Suttisak Wizadwongsa , Supasorn Suwajanakorn

Neural implicit shape representations are an emerging paradigm that offers many potential benefits over conventional discrete representations, including memory efficiency at a high spatial resolution. Generalizing across shapes with such…

Computer Vision and Pattern Recognition · Computer Science 2020-06-18 Vincent Sitzmann , Eric R. Chan , Richard Tucker , Noah Snavely , Gordon Wetzstein

Score-based models generate samples by mapping noise to data (and vice versa) via a high-dimensional diffusion process. We question whether it is necessary to run this entire process at high dimensionality and incur all the inconveniences…

Machine Learning · Computer Science 2023-02-28 Bowen Jing , Gabriele Corso , Renato Berlinghieri , Tommi Jaakkola

Diffusion models are the de facto approach for generating high-quality images and videos, but learning high-dimensional models remains a formidable task due to computational and optimization challenges. Existing methods often resort to…

Computer Vision and Pattern Recognition · Computer Science 2024-09-04 Jiatao Gu , Shuangfei Zhai , Yizhe Zhang , Josh Susskind , Navdeep Jaitly

Due to the three-dimensional nature of CT- or MR-scans, generative modeling of medical images is a particularly challenging task. Existing approaches mostly apply patch-wise, slice-wise, or cascaded generation techniques to fit the…

Image and Video Processing · Electrical Eng. & Systems 2024-10-15 Paul Friedrich , Julia Wolleb , Florentin Bieder , Alicia Durrer , Philippe C. Cattin
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