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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

3D structure modeling is essential across scales, enabling applications from fluid simulation and 3D reconstruction to protein folding and molecular docking. Yet, despite shared 3D spatial patterns, current approaches remain fragmented,…

Machine Learning · Computer Science 2025-10-10 Shuqi Lu , Haowei Lin , Lin Yao , Zhifeng Gao , Xiaohong Ji , Yitao Liang , Weinan E , Linfeng Zhang , Guolin Ke

Deep generative models are tremendously successful in learning low-dimensional latent representations that well-describe the data. These representations, however, tend to much distort relationships between points, i.e. pairwise distances…

Machine Learning · Computer Science 2018-09-14 Tao Yang , Georgios Arvanitidis , Dongmei Fu , Xiaogang Li , Søren Hauberg

We propose a novel efficient architecture for learning long-term evolution in complex multi-scale physical systems which is based on the idea of separation of scales. Structures of various scales that dynamically emerge in the system…

Artificial Intelligence · Computer Science 2025-05-27 Alexander Khrabry , Edward Startsev , Andrew Powis , Igor Kaganovich

Variational Autoencoder (VAE) and its variations are classic generative models by learning a low-dimensional latent representation to satisfy some prior distribution (e.g., Gaussian distribution). Their advantages over GAN are that they can…

Computer Vision and Pattern Recognition · Computer Science 2020-09-24 Cong Geng , Jia Wang , Li Chen , Zhiyong Gao

Diffusion models have emerged as the new state-of-the-art generative model with high quality samples, with intriguing properties such as mode coverage and high flexibility. They have also been shown to be effective inverse problem solvers,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-06 Hyungjin Chung , Dohoon Ryu , Michael T. McCann , Marc L. Klasky , Jong Chul Ye

For learned image representations, basic autoencoders often produce blurry results. Reconstruction quality can be improved by incorporating additional penalties such as adversarial (GAN) and perceptual losses. Arguably, these approaches…

Machine Learning · Computer Science 2025-09-25 Vighnesh Birodkar , Gabriel Barcik , James Lyon , Sergey Ioffe , David Minnen , Joshua V. Dillon

Generative autoencoders offer a promising approach for controllable text generation by leveraging their latent sentence representations. However, current models struggle to maintain coherent latent spaces required to perform meaningful text…

Machine Learning · Computer Science 2020-07-08 Tianxiao Shen , Jonas Mueller , Regina Barzilay , Tommi Jaakkola

Autoregressive language models dominate modern text generation, yet their sequential nature introduces fundamental limitations: decoding is slow, and maintaining global coherence remains challenging. Diffusion models offer a promising…

Computation and Language · Computer Science 2026-01-06 Viacheslav Meshchaninov , Egor Chimbulatov , Alexander Shabalin , Aleksandr Abramov , Dmitry Vetrov

Latent Diffusion Models (LDMs) enable high-quality image synthesis while avoiding excessive compute demands by training a diffusion model in a compressed lower-dimensional latent space. Here, we apply the LDM paradigm to high-resolution…

Computer Vision and Pattern Recognition · Computer Science 2023-12-29 Andreas Blattmann , Robin Rombach , Huan Ling , Tim Dockhorn , Seung Wook Kim , Sanja Fidler , Karsten Kreis

Generative Adversarial Networks (GAN) have many potential medical imaging applications, including data augmentation, domain adaptation, and model explanation. Due to the limited memory of Graphical Processing Units (GPUs), most current 3D…

Image and Video Processing · Electrical Eng. & Systems 2022-09-13 Li Sun , Junxiang Chen , Yanwu Xu , Mingming Gong , Ke Yu , Kayhan Batmanghelich

High-quality 3D assets for traffic participants are critical for multi-sensor simulation, which is essential for the safe end-to-end development of autonomy. Building assets from in-the-wild data is key for diversity and realism, but…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Ze Yang , Jingkang Wang , Haowei Zhang , Sivabalan Manivasagam , Yun Chen , Raquel Urtasun

Turbulence is characterised by chaotic dynamics and a high-dimensional state space, which make this phenomenon challenging to predict. However, turbulent flows are often characterised by coherent spatiotemporal structures, such as vortices…

Fluid Dynamics · Physics 2023-06-21 Nguyen Anh Khoa Doan , Alberto Racca , Luca Magri

Recent advances in 3D generative models have shown promising results but often fall short in capturing the complexity of architectural geometries and topologies and fine geometric details at high resolutions. To tackle this, we present…

Computer Vision and Pattern Recognition · Computer Science 2025-11-21 S. Rasoulzadeh , M. Bank , I. Kovacic , K. Schinegger , S. Rutzinger , M. Wimmer

This paper introduces a new interpretation of the Variational Autoencoder framework by taking a fully geometric point of view. We argue that vanilla VAE models unveil naturally a Riemannian structure in their latent space and that taking…

Machine Learning · Statistics 2022-11-04 Clément Chadebec , Stéphanie Allassonnière

We propose DriveAnyMesh, a method for driving mesh guided by monocular video. Current 4D generation techniques encounter challenges with modern rendering engines. Implicit methods have low rendering efficiency and are unfriendly to…

Computer Vision and Pattern Recognition · Computer Science 2025-06-10 Yahao Shi , Yang Liu , Yanmin Wu , Xing Liu , Chen Zhao , Jie Luo , Bin Zhou

We consider the problem of image representation for the tasks of unsupervised learning and semi-supervised learning. In those learning tasks, the raw image vectors may not provide enough representation for their intrinsic structures due to…

Machine Learning · Computer Science 2014-02-20 Yiyi Liao , Yue Wang , Yong Liu

Probabilistic denoising diffusion models (DDMs) have set a new standard for 2D image generation. Extending DDMs for 3D content creation is an active field of research. Here, we propose TetraDiffusion, a diffusion model that operates on a…

Computer Vision and Pattern Recognition · Computer Science 2024-08-12 Nikolai Kalischek , Torben Peters , Jan D. Wegner , Konrad Schindler

The video generation field has witnessed rapid improvements with the introduction of recent diffusion models. While these models have successfully enhanced appearance quality, they still face challenges in generating coherent and natural…

Computer Vision and Pattern Recognition · Computer Science 2025-04-21 Yaosi Hu , Zhenzhong Chen , Chong Luo

Diffusion models (DMs) excel in photo-realistic image synthesis, but their adaptation to LiDAR scene generation poses a substantial hurdle. This is primarily because DMs operating in the point space struggle to preserve the curve-like…

Computer Vision and Pattern Recognition · Computer Science 2024-04-22 Haoxi Ran , Vitor Guizilini , Yue Wang
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