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Generating protein sequences that fold into a intended 3D structure is a fundamental step in de novo protein design. De facto methods utilize autoregressive generation, but this eschews higher order interactions that could be exploited to…

Biomolecules · Quantitative Biology 2023-12-06 John J. Yang , Jason Yim , Regina Barzilay , Tommi Jaakkola

This paper addresses the challenge of text-conditioned streaming motion generation, which requires us to predict the next-step human pose based on variable-length historical motions and incoming texts. Existing methods struggle to achieve…

Computer Vision and Pattern Recognition · Computer Science 2025-08-08 Lixing Xiao , Shunlin Lu , Huaijin Pi , Ke Fan , Liang Pan , Yueer Zhou , Ziyong Feng , Xiaowei Zhou , Sida Peng , Jingbo Wang

Morphogenesis is central to biology but remains largely unexplored in chemistry. Reaction-diffusion (RD) mechanisms are, however, essential to understand how shape emerges in the living world. While numerical methods confirm the incredible…

Pattern Formation and Solitons · Physics 2014-07-17 Anton S. Zadorin , Yannick Rondelez , Jean-Christophe Galas , André Estevez-Torres

Accurate prediction of protein-ligand binding structures, a task known as molecular docking is crucial for drug design but remains challenging. While deep learning has shown promise, existing methods often depend on holo-protein structures…

Biomolecules · Quantitative Biology 2024-02-22 Yufei Huang , Odin Zhang , Lirong Wu , Cheng Tan , Haitao Lin , Zhangyang Gao , Siyuan Li , Stan. Z. Li

We propose the deep demixing (DDmix) model, a graph autoencoder that can reconstruct epidemics evolving over networks from partial or aggregated temporal information. Assuming knowledge of the network topology but not of the epidemic model,…

Social and Information Networks · Computer Science 2023-06-14 Boning Li , Gojko Čutura , Ananthram Swami , Santiago Segarra

Recent progress in controllable image generation and editing is largely driven by diffusion-based methods. Although diffusion models perform exceptionally well in specific tasks with tailored designs, establishing a unified model is still…

Computer Vision and Pattern Recognition · Computer Science 2025-01-09 Jiteng Mu , Nuno Vasconcelos , Xiaolong Wang

Text-to-motion generation has attracted increasing attention in the research community recently, with potential applications in animation, virtual reality, robotics, and human-computer interaction. Diffusion and autoregressive models are…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Kang Ding , Hongsong Wang , Jie Gui , Liang Wang

By decomposing the image formation process into a sequential application of denoising autoencoders, diffusion models (DMs) achieve state-of-the-art synthesis results on image data and beyond. Additionally, their formulation allows for a…

Computer Vision and Pattern Recognition · Computer Science 2022-04-14 Robin Rombach , Andreas Blattmann , Dominik Lorenz , Patrick Esser , Björn Ommer

Diffusion models have demonstrated exceptional performances in various fields of generative modeling, but suffer from slow sampling speed due to their iterative nature. While this issue is being addressed in continuous domains, discrete…

Machine Learning · Computer Science 2025-05-12 Satoshi Hayakawa , Yuhta Takida , Masaaki Imaizumi , Hiromi Wakaki , Yuki Mitsufuji

This paper presents PolyDiffuse, a novel structured reconstruction algorithm that transforms visual sensor data into polygonal shapes with Diffusion Models (DM), an emerging machinery amid exploding generative AI, while formulating…

Computer Vision and Pattern Recognition · Computer Science 2023-12-27 Jiacheng Chen , Ruizhi Deng , Yasutaka Furukawa

Causal inference in spatio-temporal settings is critically hindered by unmeasured confounders with complex spatio-temporal dynamics and the prevalence of multi-resolution data. While diffusion models present a promising avenue for…

Machine Learning · Statistics 2026-04-07 Xinwen Liu , Lei Qian , Song Xi Chen , Niansheng Tang

Linker generation is critical in drug discovery applications such as lead optimization and PROTAC design, where molecular fragments are assembled into diverse drug candidates via molecular linker. Existing methods fall into point cloud-free…

Chemical Physics · Physics 2025-05-28 Minyeong Hwang , Ziseok Lee , Kwang-Soo Kim , Kyungsu Kim , Eunho Yang

We study causal discovery from observational data in linear Gaussian systems affected by \emph{mixed latent confounding}, where some unobserved factors act broadly across many variables while others influence only small subsets. This…

Machine Learning · Computer Science 2026-01-01 Amir Asiaee , Samhita Pal , James O'quinn , James P. Long

Current video diffusion models achieve impressive generation quality but struggle in interactive applications due to bidirectional attention dependencies. The generation of a single frame requires the model to process the entire sequence,…

Computer Vision and Pattern Recognition · Computer Science 2025-09-25 Tianwei Yin , Qiang Zhang , Richard Zhang , William T. Freeman , Fredo Durand , Eli Shechtman , Xun Huang

Dance requires skillful composition of complex movements that follow rhythmic, tonal and timbral features of music. Formally, generating dance conditioned on a piece of music can be expressed as a problem of modelling a high-dimensional…

Programmable structures are systems whose undeformed geometries and material property distributions are deliberately designed to achieve prescribed deformed configurations under specific loading conditions. Inflatable structures are a…

Computational Engineering, Finance, and Science · Computer Science 2025-08-19 Sara Karimi , Nikolaos N. Vlassis

Diffusion models are powerful generative models that achieve state-of-the-art performance in image synthesis. However, training them demands substantial amounts of data and computational resources. Continual learning would allow for…

Machine Learning · Computer Science 2025-03-05 Sergi Masip , Pau Rodriguez , Tinne Tuytelaars , Gido M. van de Ven

This work tackles the information loss bottleneck of vector-quantization (VQ) autoregressive image generation by introducing a novel model architecture called the 2-Dimensional Autoregression (DnD) Transformer. The DnD-Transformer predicts…

Computer Vision and Pattern Recognition · Computer Science 2024-10-04 Liang Chen , Sinan Tan , Zefan Cai , Weichu Xie , Haozhe Zhao , Yichi Zhang , Junyang Lin , Jinze Bai , Tianyu Liu , Baobao Chang

Several recent studies have attempted to autoregressively generate continuous speech representations without discrete speech tokens by combining diffusion and autoregressive models, yet they often face challenges with excessive…

Audio and Speech Processing · Electrical Eng. & Systems 2025-12-09 Dongya Jia , Zhuo Chen , Jiawei Chen , Chenpeng Du , Jian Wu , Jian Cong , Xiaobin Zhuang , Chumin Li , Zhen Wei , Yuping Wang , Yuxuan Wang

Diffusion models have risen as a promising approach to data-driven planning, and have demonstrated impressive robotic control, reinforcement learning, and video planning performance. Given an effective planner, an important question to…

Robotics · Computer Science 2023-10-17 Siyuan Zhou , Yilun Du , Shun Zhang , Mengdi Xu , Yikang Shen , Wei Xiao , Dit-Yan Yeung , Chuang Gan