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Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

Biomolecules · Quantitative Biology 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

Continuous-time generative models have achieved remarkable success in image restoration and synthesis. However, controlling the composition of multiple pre-trained models remains an open challenge. Current approaches largely treat…

Machine Learning · Computer Science 2026-05-20 Riccardo Barbano , Alexander Denker , Zeljko Kereta , Runchang Li , Francisco Vargas

Simulation is critical for safety evaluation in autonomous driving, particularly in capturing complex interactive behaviors. However, generating realistic and controllable traffic scenarios in long-tail situations remains a significant…

Artificial Intelligence · Computer Science 2025-05-28 Haohong Lin , Xin Huang , Tung Phan-Minh , David S. Hayden , Huan Zhang , Ding Zhao , Siddhartha Srinivasa , Eric M. Wolff , Hongge Chen

In this work, we propose a novel framework to enable diffusion models to adapt their generation quality based on real-time network bandwidth constraints. Traditional diffusion models produce high-fidelity images by performing a fixed number…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Xi Zhang , Hanwei Zhu , Yan Zhong , Jiamang Wang , Weisi Lin

The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science. Generative models, especially state-of-the-art diffusion models, offer the promise of modeling complex data…

Predicting drug-induced cellular state changes at single-cell resolution remains a central challenge in virtual cell modeling, particularly under out-of-distribution (OOD) conditions. Current approaches predominantly rely on RNA-based…

Genomics · Quantitative Biology 2026-05-18 Peiting Shi , Ningfeng Que , Xianzhe Huang , Xiaofei Wang , Jianzhong Jeff Xi

Complex physical systems, from supersonic turbulence to the macroscopic structure of the universe, are governed by continuous multiscale dynamics. While modern machine learning architectures excel at mapping the high-dimensional observables…

Machine Learning · Computer Science 2026-05-04 Mengke Zhao , Guang-Xing Li , Duo Xu , Keping Qiu

Text-driven human motion generation is a multimodal task that synthesizes human motion sequences conditioned on natural language. It requires the model to satisfy textual descriptions under varying conditional inputs, while generating…

Computer Vision and Pattern Recognition · Computer Science 2024-10-01 Xingyu Chen

Structure-based drug design (SBDD) aims to generate 3D ligand molecules that bind to specific protein targets. Existing 3D deep generative models including diffusion models have shown great promise for SBDD. However, it is complex to…

Biomolecules · Quantitative Biology 2024-03-01 Zhilin Huang , Ling Yang , Zaixi Zhang , Xiangxin Zhou , Yu Bao , Xiawu Zheng , Yuwei Yang , Yu Wang , Wenming Yang

For the past few years, deep generative models have increasingly been used in biological research for a variety of tasks. Recently, they have proven to be valuable for uncovering subtle cell phenotypic differences that are not directly…

Image and Video Processing · Electrical Eng. & Systems 2026-01-28 Anis Bourou , Thomas Boyer , Kévin Daupin , Véronique Dubreuil , Aurélie De Thonel , Valérie Mezger , Auguste Genovesio

This paper introduces StructDiff, a generative framework based on a single-scale diffusion model for single-image generation. Single-image generation aims to synthesize diverse samples with similar visual content to the source image by…

Computer Vision and Pattern Recognition · Computer Science 2026-04-15 Yinxi He , Kang Liao , Chunyu Lin , Tianyi Wei , Yao Zhao

Recent progress in image generation has sparked research into controlling these models through condition signals, with various methods addressing specific challenges in conditional generation. Instead of proposing another specialized…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Xirui Li , Charles Herrmann , Kelvin C. K. Chan , Yinxiao Li , Deqing Sun , Chao Ma , Ming-Hsuan Yang

Although machine learning has been successfully used to propose novel molecules that satisfy desired properties, it is still challenging to explore a large chemical space efficiently. In this paper, we present a conditional molecular design…

Machine Learning · Computer Science 2019-04-02 Seokho Kang , Kyunghyun Cho

While many diffusion models perform well when controlling particular aspects such as style, character, and interaction, they struggle with fine-grained control due to dataset limitations and intricate model architecture design. This paper…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Conghan Yue , Zhengwei Peng , Shiyan Du , Zhi Ji , Chuangjian Cai , Le Wan , Dongyu Zhang

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

Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure of molecules provides essential information about their…

Machine Learning · Computer Science 2024-10-23 Jiying Zhang , Zijing Liu , Yu Wang , Yu Li

Creating novel images by fusing visual cues from multiple sources is a fundamental yet underexplored problem in image-to-image generation, with broad applications in artistic creation, virtual reality and visual media. Existing methods…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Zeren Xiong , Yue Yu , Zedong Zhang , Shuo Chen , Jian Yang , Jun Li

We present PoseDiff, a conditional diffusion model that unifies robot state estimation and control within a single framework. At its core, PoseDiff maps raw visual observations into structured robot states-such as 3D keypoints or joint…

Robotics · Computer Science 2025-11-03 Haozhuo Zhang , Michele Caprio , Jing Shao , Qiang Zhang , Jian Tang , Shanghang Zhang , Wei Pan

Antibody therapeutics are among the most successful modern medicines, yet computationally designing antibodies with desirable binding and developability properties remains challenging. While protein language models (pLMs) have emerged as…

Machine Learning · Computer Science 2026-05-11 Justin Sanders , Luca Giancardo , Lan Guo , Yue Zhao , Kemal Sonmez , Nina Cheng , Melih Yilmaz

Unsupervised Contrastive learning has gained prominence in fields such as vision, and biology, leveraging predefined positive/negative samples for representation learning. Data augmentation, categorized into hand-designed and model-based…

Machine Learning · Computer Science 2024-05-28 Zelin Zang , Hao Luo , Kai Wang , Panpan Zhang , Fan Wang , Stan. Z Li , Yang You
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