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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

Masked diffusion models (MDMs) have emerged as a promising alternative to autoregressive models for language modeling, yet the effective design of transformer architectures for MDMs remains underexplored. In this paper, we show that…

Machine Learning · Computer Science 2026-05-26 Sanghyun Lee , Chunsan Hong , Seungryong Kim , Jonghyun Lee , Jongho Park , Dongmin Park

We study why continuous diffusion language models (DLMs) have lagged behind discrete diffusion approaches despite their appealing continuous generative dynamics. Under a controlled token--recovery study, we identify token rounding, the…

Computation and Language · Computer Science 2026-03-04 Junzhe Shen , Jieru Zhao , Ziwei He , Zhouhan Lin

Masked Diffusion Models (MDMs) offer a promising alternative to autoregressive language models by enabling parallel token generation and bidirectional context modeling. However, their inference speed is significantly limited by the…

Machine Learning · Computer Science 2026-04-08 Satyam Goyal , Kushal Patel , Tanush Mittal , Arjun Laxman

Diffusion large language models (dLLMs) generate text through iterative denoising. In commonly adopted parallel decoding schemes, each step confirms only high-confidence positions while remasking the others. By analyzing dLLM denoising…

Computation and Language · Computer Science 2026-05-27 Kangyu Wang , Zhiyun Jiang , Haibo Feng , Weijia Zhao , Lin Liu , Jianguo Li , Zhenzhong Lan , Weiyao Lin

Autoregressive large language models (LLMs) deliver strong performance but require inherently sequential decoding, leading to high inference latency and poor GPU utilization. Speculative decoding mitigates this bottleneck by using a fast…

Computation and Language · Computer Science 2026-05-29 Jian Chen , Yesheng Liang , Zhijian Liu

Diffusion large language models (DLLMs) have emerged as an alternative to autoregressive (AR) decoding with appealing efficiency and modeling properties, yet their implications for agentic multi-step decision making remain underexplored. We…

Diffusion LLMs have been proposed as an alternative to autoregressive LLMs, excelling especially at complex reasoning tasks with interdependent sub-goals. Curiously, this is particularly true if the generation length, i.e., the number of…

Computation and Language · Computer Science 2026-03-06 Sarah Breckner , Sebastian Schuster

Diffusion Large Language Models (dLLMs) represent a new paradigm beyond autoregressive modeling, offering competitive performance while naturally enabling a flexible decoding process. Specifically, dLLMs can generate tokens at arbitrary…

Computation and Language · Computer Science 2026-02-13 Sicheng Feng , Zigeng Chen , Xinyin Ma , Gongfan Fang , Xinchao Wang

Autoregressive (AR) models remain the standard for natural language generation but still suffer from high latency due to strictly sequential decoding. Recent diffusion-inspired approaches, such as LlaDA and Dream, mitigate this by…

Computation and Language · Computer Science 2025-10-16 Qinglin Zhu , Yizhen Yao , Runcong Zhao , Yanzheng Xiang , Amrutha Saseendran , Chen Jin , Philip Teare , Bin Liang , Yulan He , Lin Gui

Language models based on discrete diffusion have attracted widespread interest for their potential to provide faster generation than autoregressive models. Despite their promise, these models typically produce samples whose quality sharply…

Computation and Language · Computer Science 2026-05-21 Chanhyuk Lee , Jaehoon Yoo , Manan Agarwal , Sheel Shah , Jerry Huang , Aditi Raghunathan , Seunghoon Hong , Nicholas M. Boffi , Jinwoo Kim

We introduce the first watermark tailored for diffusion language models (DLMs), an emergent LLM paradigm able to generate tokens in arbitrary order, in contrast to standard autoregressive language models (ARLMs) which generate tokens…

Machine Learning · Computer Science 2026-02-20 Thibaud Gloaguen , Robin Staab , Nikola Jovanović , Martin Vechev

Diffusion language models (DLMs) offer a structural alternative to autoregressive generation: denoising can update tokens in arbitrary orders or in parallel rather than along a fixed left-to-right chain. In practice, fast DLM decoding…

Machine Learning · Computer Science 2026-05-12 Jeonseong Kim

Discrete diffusion models offer global context awareness and flexible parallel generation. However, uniform random noise schedulers in standard DLLM training overlook the highly non-uniform information density inherent in real-world…

Machine Learning · Computer Science 2026-03-18 Linrui Ma , Yufei Cui , Kai Han , Yunhe Wang

LLMs have become the mainstream approaches to code generation. Existing LLMs mainly employ autoregressive generation, i.e. generating code token-by-token from left to right. However, the underlying autoregressive generation has two…

Software Engineering · Computer Science 2025-11-04 Chengze Li , Yitong Zhang , Jia Li , Liyi Cai , Ge Li

Diffusion language models (dLMs) have emerged as a promising paradigm that enables parallel, non-autoregressive generation, but their learning efficiency lags behind that of autoregressive (AR) language models when trained from scratch. To…

Diffusion large language models (dLLMs) generate text via iterative denoising but consistently underperform on multi-step reasoning. We hypothesize this gap stems from a coordination problem: AR models build coherence token-by-token, while…

Artificial Intelligence · Computer Science 2026-03-17 Earl J St Sauver

Recently, Diffusion Large Language Models (dLLMs) have demonstrated unique efficiency advantages, enabled by their inherently parallel decoding mechanism and flexible generation paradigm. Meanwhile, despite the rapid advancement of Search…

Artificial Intelligence · Computer Science 2026-02-10 Jiahao Zhao , Shaoxuan Xu , Zhongxiang Sun , Fengqi Zhu , Jingyang Ou , Yuling Shi , Chongxuan Li , Xiao Zhang , Jun Xu

Diffusion large language models (dLLMs) are emerging as a promising alternative to autoregressive models (ARMs) due to their ability to capture bidirectional context and the potential for parallel generation. Despite the advantages, dLLM…

Machine Learning · Computer Science 2026-03-12 Zijian Zhu , Fei Ren , Zhanhong Tan , Kaisheng Ma

Diffusion Large Language Models (DLLMs) enable fully parallel token decoding but often remain impractical at inference time due to the many denoising iterations required to refine an information-free, fully masked initialization into…

Computation and Language · Computer Science 2025-12-23 Tongyuan Miao , Gary Huang , Kai Jun Han , Annie Jiang