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Modeling generalized robot control policies poses ongoing challenges for language-guided robot manipulation tasks. Existing methods often struggle to efficiently utilize cross-dataset resources or rely on resource-intensive vision-language…

Robotics · Computer Science 2024-11-05 Wenhui Tan , Bei Liu , Junbo Zhang , Ruihua Song , Jianlong Fu

Text-to-image generation has witnessed significant progress with the advent of diffusion models. Despite the ability to generate photorealistic images, current text-to-image diffusion models still often struggle to accurately interpret and…

Computer Vision and Pattern Recognition · Computer Science 2023-11-28 Tsung-Han Wu , Long Lian , Joseph E. Gonzalez , Boyi Li , Trevor Darrell

Rich data and powerful machine learning models allow us to design drugs for a specific protein target \textit{in silico}. Recently, the inclusion of 3D structures during targeted drug design shows superior performance to other target-free…

Biomolecules · Quantitative Biology 2023-03-08 Jiaqi Guan , Wesley Wei Qian , Xingang Peng , Yufeng Su , Jian Peng , Jianzhu Ma

Can we train a 3D molecule generator using data from dense regions to generate samples in sparse regions? This challenge can be framed as an out-of-distribution (OOD) generation problem. While prior research on OOD generation predominantly…

Machine Learning · Computer Science 2026-03-03 Haokai Hong , Wanyu Lin , Ming Yang , Kay Chen Tan

Diffusion-based methods represented as stochastic differential equations on a continuous-time domain have recently proven successful as a non-adversarial generative model. Training such models relies on denoising score matching, which can…

Machine Learning · Computer Science 2024-11-05 Sarthak Mittal , Korbinian Abstreiter , Stefan Bauer , Bernhard Schölkopf , Arash Mehrjou

Learning from a large corpus of data, pre-trained models have achieved impressive progress nowadays. As popular generative pre-training, diffusion models capture both low-level visual knowledge and high-level semantic relations. In this…

Computer Vision and Pattern Recognition · Computer Science 2023-03-20 Chaofan Ma , Yuhuan Yang , Chen Ju , Fei Zhang , Jinxiang Liu , Yu Wang , Ya Zhang , Yanfeng Wang

Generative latent diffusion models have been established as state-of-the-art in data generation. One promising application is generation of realistic synthetic medical imaging data for open data sharing without compromising patient privacy.…

Computer Vision and Pattern Recognition · Computer Science 2023-07-07 Salman Ul Hassan Dar , Arman Ghanaat , Jannik Kahmann , Isabelle Ayx , Theano Papavassiliu , Stefan O. Schoenberg , Sandy Engelhardt

Diffusion models without guidance generate very unrealistic samples. Guidance is used ubiquitously, and previous research has attributed its effect to low-temperature sampling that improves quality by trading off diversity. However, this…

Computer Vision and Pattern Recognition · Computer Science 2025-03-11 Shanchuan Lin , Xiao Yang

The success of deep learning in computer vision over the past decade has hinged on large labeled datasets and strong pretrained models. In data-scarce settings, the quality of these pretrained models becomes crucial for effective transfer…

Computer Vision and Pattern Recognition · Computer Science 2025-05-15 Bingxin Ke , Kevin Qu , Tianfu Wang , Nando Metzger , Shengyu Huang , Bo Li , Anton Obukhov , Konrad Schindler

Text-conditioned image generation models have recently achieved astonishing results in image quality and text alignment and are consequently employed in a fast-growing number of applications. Since they are highly data-driven, relying on…

Computer Vision and Pattern Recognition · Computer Science 2023-04-27 Patrick Schramowski , Manuel Brack , Björn Deiseroth , Kristian Kersting

Diffusion-based models have shown great promise in molecular generation but often require a large number of sampling steps to generate valid samples. In this paper, we introduce a novel Straight-Line Diffusion Model (SLDM) to tackle this…

Machine Learning · Computer Science 2025-06-10 Yuyan Ni , Shikun Feng , Haohan Chi , Bowen Zheng , Huan-ang Gao , Wei-Ying Ma , Zhi-Ming Ma , Yanyan Lan

Discrete diffusion models are a class of generative models that construct sequences by progressively denoising samples from a categorical noise distribution. Beyond their rapidly growing ability to generate coherent natural language, these…

Computation and Language · Computer Science 2025-12-11 Michael Cardei , Jacob K Christopher , Thomas Hartvigsen , Bhavya Kailkhura , Ferdinando Fioretto

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

Learning from demonstrations faces challenges in generalizing beyond the training data and often lacks collision awareness. This paper introduces Lan-o3dp, a language-guided object-centric diffusion policy framework that can adapt to unseen…

Robotics · Computer Science 2025-03-18 Hang Li , Qian Feng , Zhi Zheng , Jianxiang Feng , Zhaopeng Chen , Alois Knoll

Diffusion models are a class of flexible generative models trained with an approximation to the log-likelihood objective. However, most use cases of diffusion models are not concerned with likelihoods, but instead with downstream objectives…

Machine Learning · Computer Science 2024-01-08 Kevin Black , Michael Janner , Yilun Du , Ilya Kostrikov , Sergey Levine

Our goal is to generate realistic human motion from natural language. Modern methods often face a trade-off between model expressiveness and text-to-motion alignment. Some align text and motion latent spaces but sacrifice expressiveness;…

Computer Vision and Pattern Recognition · Computer Science 2024-10-21 Nefeli Andreou , Xi Wang , Victoria Fernández Abrevaya , Marie-Paule Cani , Yiorgos Chrysanthou , Vicky Kalogeiton

Generating molecules that bind to specific protein targets via diffusion models has shown good promise for structure-based drug design and molecule optimization. Especially, the diffusion models with binding interaction guidance enables…

Machine Learning · Computer Science 2025-05-12 Anjie Qiao , Hao Zhang , Qianmu Yuan , Qirui Deng , Jingtian Su , Weifeng Huang , Huihao Zhou , Guo-Bo Li , Zhen Wang , Jinping Lei

Generative AI has redefined artificial intelligence, enabling the creation of innovative content and customized solutions that drive business practices into a new era of efficiency and creativity. In this paper, we focus on diffusion…

Machine Learning · Computer Science 2024-03-21 Zihao Li , Hui Yuan , Kaixuan Huang , Chengzhuo Ni , Yinyu Ye , Minshuo Chen , Mengdi Wang

Goal-directed molecular generation requires satisfying heterogeneous constraints such as protein--ligand compatibility and multi-objective drug-like properties, yet existing methods often optimize these constraints in isolation, failing to…

Machine Learning · Computer Science 2026-04-14 Yanting Li , Zhuoyang Jiang , Enyan Dai , Lei Wang , Wen-Cai Ye , Li Liu

Generation of molecules with desired chemical and biological properties such as high drug-likeness, high binding affinity to target proteins, is critical for drug discovery. In this paper, we propose a probabilistic generative model to…

Biomolecules · Quantitative Biology 2023-07-12 Deqian Kong , Bo Pang , Tian Han , Ying Nian Wu