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Current SMILES-based diffusion models for molecule generation typically support only unimodal constraint. They inject conditioning signals at the start of the training process and require retraining a new model from scratch whenever the…

Machine Learning · Computer Science 2025-08-21 Yunzhe Zhang , Yifei Wang , Khanh Vinh Nguyen , Pengyu Hong

We introduce the Diffusion Chain of Lateral Thought (DCoLT), a reasoning framework for diffusion language models. DCoLT treats each intermediate step in the reverse diffusion process as a latent "thinking" action and optimizes the entire…

Computation and Language · Computer Science 2025-11-03 Zemin Huang , Zhiyang Chen , Zijun Wang , Tiancheng Li , Guo-Jun Qi

Diffusion models that are based on iterative denoising have been recently proposed and leveraged in various generation tasks like image generation. Whereas, as a way inherently built for continuous data, existing diffusion models still have…

Computation and Language · Computer Science 2023-04-11 Jiaao Chen , Aston Zhang , Mu Li , Alex Smola , Diyi Yang

We present a masked diffusion language modeling framework for data-efficient training for the BabyLM 2025 Challenge. Our approach applies diffusion training objectives to language modeling under strict data constraints, incorporating…

Computation and Language · Computer Science 2025-09-08 Despoina Kosmopoulou , Efthymios Georgiou , Vaggelis Dorovatas , Georgios Paraskevopoulos , Alexandros Potamianos

Diffusion (Large) Language Models (dLLMs) now match the downstream performance of their autoregressive counterparts on many tasks, while holding the promise of being more efficient during inference. One critical design aspect of dLLMs is…

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

This work presents RNAdiffusion, a latent diffusion model for generating and optimizing discrete RNA sequences of variable lengths. RNA is a key intermediary between DNA and protein, exhibiting high sequence diversity and complex…

Machine Learning · Computer Science 2024-10-03 Kaixuan Huang , Yukang Yang , Kaidi Fu , Yanyi Chu , Le Cong , Mengdi Wang

The explosive growth of large language models (LLMs) has created a vast but opaque landscape: millions of models exist, yet their evolutionary relationships through fine-tuning, distillation, or adaptation are often undocumented or unclear,…

Machine Learning · Computer Science 2026-05-04 Zhaomin Wu , Haodong Zhao , Ziyang Wang , Jizhou Guo , Qian Wang , Bingsheng He

Every major data modality now has a foundation model that understands it natively: text has language models, images have vision models, audio has audio models. Tabular data, the modality on which many consequential real-world AI decisions…

Artificial Intelligence · Computer Science 2026-05-08 Eda Erol , Giuliano Pezzoli , Ozer Cem Kelahmet

Masked Diffusion Language Models (MDLMs) enable parallel token decoding, providing a promising alternative to the sequential nature of autoregressive generation. However, their iterative denoising process remains computationally expensive…

Computation and Language · Computer Science 2026-03-10 Younjoo Lee , Junghoo Lee , Seungkyun Dan , Jaiyoung Park , Jung Ho Ahn

Recent large language models (LLMs) have demonstrated strong reasoning capabilities that benefits from online reinforcement learning (RL). These capabilities have primarily been demonstrated within the left-to-right autoregressive (AR)…

Computation and Language · Computer Science 2025-06-04 Siyan Zhao , Devaansh Gupta , Qinqing Zheng , Aditya Grover

Masked diffusion models (MDMs) are a potential alternative to autoregressive models (ARMs) for language generation, but generation quality depends critically on the generation order. Prior work either hard-codes an ordering (e.g., blockwise…

Machine Learning · Computer Science 2026-05-22 Chunsan Hong , Sanghyun Lee , Jong Chul Ye

Current autoregressive language models (ARMs) achieve high accuracy but require long token sequences, making them costly. Discrete diffusion language models (DDLMs) enable parallel and flexible generation within a fixed number of steps and…

Computation and Language · Computer Science 2025-10-21 Lina Berrayana , Ahmed Heakl , Muhammad Abdullah Sohail , Thomas Hofmann , Salman Khan , Wei Chen

Existing Visual Speech Recognition (VSR) systems commonly rely on left-to-right autoregressive decoding, which can force premature decisions on visually ambiguous tokens before sufficient context is available. We propose DLLM-VSR, to the…

Artificial Intelligence · Computer Science 2026-05-28 Jeong Hun Yeo , Chae Won Kim , Hyeongseop Rha , Yong Man Ro

When Masked Diffusion Models (MDMs) generate sequences through iterative refinement, the rich internal computation over masked positions is discarded, forcing every subsequent refinement step to recompute the valuable internal information…

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

Generative models, especially diffusion models (DMs), have achieved promising results for generating feature-rich geometries and advancing foundational science problems such as molecule design. Inspired by the recent huge success of Stable…

Machine Learning · Computer Science 2023-05-03 Minkai Xu , Alexander Powers , Ron Dror , Stefano Ermon , Jure Leskovec

While diffusion language models (DLMs) have achieved competitive performance in text generation, improving their reasoning ability with reinforcement learning remains an active research area. Here, we introduce d2, a reasoning framework…

Machine Learning · Computer Science 2026-02-10 Guanghan Wang , Gilad Turok , Yair Schiff , Marianne Arriola , Volodymyr Kuleshov

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

Generating high-fidelity synthetic GPS trajectories is increasingly important for applications in transportation, urban planning, and what-if scenario simulation, especially as privacy concerns limit access to real-world mobility data.…

Machine Learning · Computer Science 2026-05-12 Wilson Wongso , Lihuan Li , Arian Prabowo , Xiachong Lin , Baiyu Chen , Hao Xue , Flora D. Salim
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