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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

In this work, we provide a systematic survey of Discrete Diffusion Language Models (dLLMs) and Discrete Diffusion Multimodal Language Models (dMLLMs). Unlike autoregressive (AR) models, dLLMs and dMLLMs adopt a multi-token, parallel…

Machine Learning · Computer Science 2025-09-22 Runpeng Yu , Qi Li , Xinchao Wang

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

We propose a Distributional Approach for addressing Controlled Text Generation from pre-trained Language Models (LMs). This approach permits to specify, in a single formal framework, both "pointwise" and "distributional" constraints over…

Computation and Language · Computer Science 2021-05-07 Muhammad Khalifa , Hady Elsahar , Marc Dymetman

Recent advancements in large language models (LLMs) have demonstrated impressive performance in molecular generation, which offers potential to accelerate drug discovery. However, the current LLMs overlook a critical requirement for drug…

Machine Learning · Computer Science 2025-02-18 Hyosoon Jang , Yunhui Jang , Jaehyung Kim , Sungsoo Ahn

Consistency Models (CMs) have showed a promise in creating visual content efficiently and with high quality. However, the way to add new conditional controls to the pretrained CMs has not been explored. In this technical report, we consider…

Computer Vision and Pattern Recognition · Computer Science 2023-12-13 Jie Xiao , Kai Zhu , Han Zhang , Zhiheng Liu , Yujun Shen , Yu Liu , Xueyang Fu , Zheng-Jun Zha

Recent advances in denoising diffusion probabilistic models have shown great success in image synthesis tasks. While there are already works exploring the potential of this powerful tool in image semantic segmentation, its application in…

Computer Vision and Pattern Recognition · Computer Science 2023-09-19 Xinrong Hu , Yu-Jen Chen , Tsung-Yi Ho , Yiyu Shi

Generating sewing patterns in garment design is receiving increasing attention due to its CG-friendly and flexible-editing nature. Previous sewing pattern generation methods have been able to produce exquisite clothing, but struggle to…

Computer Vision and Pattern Recognition · Computer Science 2025-07-08 Shengqi Liu , Yuhao Cheng , Zhuo Chen , Xingyu Ren , Wenhan Zhu , Lincheng Li , Mengxiao Bi , Xiaokang Yang , Yichao Yan

The controllable generation of diffusion models aims to steer the model to generate samples that optimize some given objective functions. It is desirable for a variety of applications including image generation, molecule generation, and…

Machine Learning · Computer Science 2025-05-29 Owen Oertell , Shikun Sun , Yiding Chen , Jin Peng Zhou , Zhiyong Wang , Wen Sun

This paper aims to design a unified Computer-Aided Design (CAD) generation system that can easily generate CAD models based on the user's inputs in the form of textual description, images, point clouds, or even a combination of them.…

Computer Vision and Pattern Recognition · Computer Science 2025-08-06 Jingwei Xu , Chenyu Wang , Zibo Zhao , Wen Liu , Yi Ma , Shenghua Gao

Molecular generation and molecular property prediction are both crucial for drug discovery, but they are often developed independently. Inspired by recent studies, which demonstrate that diffusion model, a prominent generative approach, can…

Machine Learning · Computer Science 2025-04-07 Shikun Feng , Yuyan Ni , Yan Lu , Zhi-Ming Ma , Wei-Ying Ma , Yanyan Lan

Generative models have demonstrated substantial promise in Natural Language Processing (NLP) and have found application in designing molecules, as seen in General Pretrained Transformer (GPT) models. In our efforts to develop such a tool…

Machine Learning · Computer Science 2023-11-27 Niklas Dobberstein , Astrid Maass , Jan Hamaekers

Masked diffusion models (MDMs) generate discrete sequences by iterative denoising under an absorbing masking process. In standard masked diffusion, if a token remains masked after a reverse update, the model discards its clean-state…

Machine Learning · Computer Science 2026-05-01 Michael Cardei , Huu Binh Ta , Ferdinando Fioretto

Existing PLMs generate protein sequences based on a single-condition constraint from a specific modality, struggling to simultaneously satisfy multiple constraints across different modalities. In this work, we introduce CFP-Gen, a novel…

Computer Vision and Pattern Recognition · Computer Science 2025-05-30 Junbo Yin , Chao Zha , Wenjia He , Chencheng Xu , Xin Gao

Generating molecular structures with desired properties is a critical task with broad applications in drug discovery and materials design. We propose 3M-Diffusion, a novel multi-modal molecular graph generation method, to generate diverse,…

Machine Learning · Computer Science 2024-10-04 Huaisheng Zhu , Teng Xiao , Vasant G Honavar

Speech-to-face generation is an intriguing area of research that focuses on generating realistic facial images based on a speaker's audio speech. However, state-of-the-art methods employing GAN-based architectures lack stability and cannot…

Computer Vision and Pattern Recognition · Computer Science 2023-10-06 Jinting Wang , Li Liu , Jun Wang , Hei Victor Cheng

Aligning language models (LMs) with user intent is becoming increasingly relevant to enhance user experience. This calls for designing methods that can allow users to control the properties of the language that LMs generate, for example,…

Computation and Language · Computer Science 2025-09-23 Vinay Samuel , Harshita Diddee , Yiming Zhang , Daphne Ippolito

Recently, 3D generation methods have shown their powerful ability to automate 3D model creation. However, most 3D generation methods only rely on an input image or a text prompt to generate a 3D model, which lacks the control of each…

Computer Vision and Pattern Recognition · Computer Science 2025-07-08 Peng Li , Suizhi Ma , Jialiang Chen , Yuan Liu , Congyi Zhang , Wei Xue , Wenhan Luo , Alla Sheffer , Wenping Wang , Yike Guo

Although autoregressive models have dominated language modeling in recent years, there has been a growing interest in exploring alternative paradigms to the conventional next-token prediction framework. Diffusion-based language models have…

Computation and Language · Computer Science 2025-10-23 Chihan Huang , Hao Tang

Recent advances in motion diffusion models have substantially improved the realism of human motion synthesis. However, existing approaches either rely on full-sequence diffusion models with bidirectional generation, which limits temporal…

Computer Vision and Pattern Recognition · Computer Science 2026-02-27 Qing Yu , Akihisa Watanabe , Kent Fujiwara