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Generative AI presents chemists with novel ideas for drug design and facilitates the exploration of vast chemical spaces. Diffusion models (DMs), an emerging tool, have recently attracted great attention in drug R\&D. This paper…

Biomolecules · Quantitative Biology 2025-07-14 Peining Zhang , Daniel Baker , Minghu Song , Jinbo Bi

Recently, diffusion models have emerged as a new paradigm for generative models. Despite the success in domains using continuous signals such as vision and audio, adapting diffusion models to natural language is under-explored due to the…

Computation and Language · Computer Science 2023-02-15 Shansan Gong , Mukai Li , Jiangtao Feng , Zhiyong Wu , Lingpeng Kong

In real-life conversations, the content is diverse, and there exists the one-to-many problem that requires diverse generation. Previous studies attempted to introduce discrete or Gaussian-based continuous latent variables to address the…

Computation and Language · Computer Science 2024-04-11 Jianxiang Xiang , Zhenhua Liu , Haodong Liu , Yin Bai , Jia Cheng , Wenliang Chen

Language-guided image generation has achieved great success nowadays by using diffusion models. However, texts can be less detailed to describe highly-specific subjects such as a particular dog or a certain car, which makes pure…

Computer Vision and Pattern Recognition · Computer Science 2023-03-17 Yiyang Ma , Huan Yang , Wenjing Wang , Jianlong Fu , Jiaying Liu

Artificial intelligence has demonstrated immense potential in scientific research. Within molecular science, it is revolutionizing the traditional computer-aided paradigm, ushering in a new era of deep learning. With recent progress in…

Biomolecules · Quantitative Biology 2024-03-22 Yi Xiao , Xiangxin Zhou , Qiang Liu , Liang Wang

Masked diffusion models (MDMs) have emerged as a promising approach for language modeling, yet they face a performance gap compared to autoregressive models (ARMs) and require more training iterations. In this work, we present the…

Machine Learning · Computer Science 2026-01-26 Mahdi Karami , Ali Ghodsi

Despite the growing success of diffusion models in continuous-valued domains (e.g., images), similar efforts for discrete domains such as text have yet to match the performance of autoregressive language models. In this work, we present…

Computation and Language · Computer Science 2023-06-28 Xiaochuang Han , Sachin Kumar , Yulia Tsvetkov

Diffusion models have achieved great success in modeling continuous data modalities such as images, audio, and video, but have seen limited use in discrete domains such as language. Recent attempts to adapt diffusion to language have…

Computation and Language · Computer Science 2023-11-08 Justin Lovelace , Varsha Kishore , Chao Wan , Eliot Shekhtman , Kilian Q. Weinberger

Diffusion Transformers (DiT) trained with flow matching in a VAE latent space have unified visual generation across images and videos. A natural next step toward a single architecture for both generation (visual synthesis) and understanding…

Computation and Language · Computer Science 2026-05-11 Jiaxiu Jiang , Jingjing Ren , Wenbo Li , Bo Wang , Haoze Sun , Yijun Yang , Jianhui Liu , Yanbing Zhang , Shenghe Zheng , Yuan Zhang , Haoyang Huang , Nan Duan , Wangmeng Zuo

This paper introduces a discrete diffusion model (DDM) framework for text-aligned speech tokenization and reconstruction. By replacing the auto-regressive speech decoder with a discrete diffusion counterpart, our model achieves…

Audio and Speech Processing · Electrical Eng. & Systems 2025-09-25 Pin-Jui Ku , He Huang , Jean-Marie Lemercier , Subham Sekhar Sahoo , Zhehuai Chen , Ante Jukić

Molecular optimization (MO) is a crucial stage in drug discovery in which task-oriented generated molecules are optimized to meet practical industrial requirements. Existing mainstream MO approaches primarily utilize external property…

Machine Learning · Computer Science 2025-12-17 Yida Xiong , Kun Li , Jiameng Chen , Hongzhi Zhang , Di Lin , Yan Che , Wenbin Hu

Diffusion language models (DLMs) are promising alternatives to autoregressive language models (ARMs), yet the intrinsic differences in their generated text remain underexplored. We first find empirically that off-the-shelf DLMs exhibit…

Computation and Language · Computer Science 2026-05-14 Zeyang Zhang , Chengwei Liang , Xingyan Chen , Meiqi Gu , Minrui Luo , Jingzhao Zhang , Tianxing He

While diffusion Multimodal Large Language Models (dMLLMs) have recently achieved remarkable strides in multimodal generation, the development of interpretability mechanisms has lagged behind their architectural evolution. Unlike traditional…

Artificial Intelligence · Computer Science 2026-04-14 Haomin Zuo , Yidi Li , Luoxiao Yang , Xiaofeng Zhang

Most multi-agent systems rely exclusively on autoregressive language models (ARMs) that are based on sequential generation. Although effective for fluent text, ARMs limit global reasoning and plan revision. On the other hand, Discrete…

Machine Learning · Computer Science 2026-03-11 Lina Berrayana , Ahmed Heakl , Abdullah Sohail , Thomas Hofmann , Salman Khan , Wei Chen

Diffusion-based decoding has recently emerged as an appealing alternative to autoregressive (AR) generation, offering the potential to update multiple tokens in parallel and reduce latency. However, diffusion vision language models (dVLMs)…

Computer Vision and Pattern Recognition · Computer Science 2026-04-01 Lunbin Zeng , Jingfeng Yao , Bencheng Liao , Hongyuan Tao , Wenyu Liu , Xinggang Wang

Latent space Energy-Based Models (EBMs), also known as energy-based priors, have drawn growing interests in generative modeling. Fueled by its flexibility in the formulation and strong modeling power of the latent space, recent works built…

Machine Learning · Computer Science 2023-10-06 Peiyu Yu , Sirui Xie , Xiaojian Ma , Baoxiong Jia , Bo Pang , Ruiqi Gao , Yixin Zhu , Song-Chun Zhu , Ying Nian Wu

Recent advancements in text-to-image diffusion models have yielded impressive results in generating realistic and diverse images. However, these models still struggle with complex prompts, such as those that involve numeracy and spatial…

Computer Vision and Pattern Recognition · Computer Science 2024-03-05 Long Lian , Boyi Li , Adam Yala , Trevor Darrell

Text-to-motion generation is a formidable task, aiming to produce human motions that align with the input text while also adhering to human capabilities and physical laws. While there have been advancements in diffusion models, their…

Computer Vision and Pattern Recognition · Computer Science 2023-08-31 Hanyang Kong , Kehong Gong , Dongze Lian , Michael Bi Mi , Xinchao Wang

Diffusion Language Models (DLMs) promise parallel generation and bidirectional context, yet they underperform autoregressive (AR) models in both likelihood modeling and generated text quality. We identify that this performance gap arises…

Computation and Language · Computer Science 2025-05-27 Litu Rout , Constantine Caramanis , Sanjay Shakkottai

Latent diffusion models (LDMs) power state-of-the-art high-resolution generative image models. LDMs learn the data distribution in the latent space of an autoencoder (AE) and produce images by mapping the generated latents into RGB image…

Computer Vision and Pattern Recognition · Computer Science 2025-01-22 Tariq Berrada , Pietro Astolfi , Melissa Hall , Marton Havasi , Yohann Benchetrit , Adriana Romero-Soriano , Karteek Alahari , Michal Drozdzal , Jakob Verbeek