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With the emergence of diffusion models as a frontline generative model, many researchers have proposed molecule generation techniques with conditional diffusion models. However, the unavoidable discreteness of a molecule makes it difficult…

Machine Learning · Computer Science 2025-06-05 Jinho Chang , Jong Chul Ye

Masked Diffusion Models (MDMs) have emerged as a promising approach for generative modeling in discrete spaces. By generating sequences in any order and allowing for parallel decoding, they enable fast inference and strong performance on…

Machine Learning · Computer Science 2026-02-12 Jaeyeon Kim , Jonathan Geuter , David Alvarez-Melis , Sham Kakade , Sitan Chen

Masked diffusion models (MDMs) have recently emerged as a promising alternative to autoregressive models over discrete domains. MDMs generate sequences in an any-order, parallel fashion, enabling fast inference and strong performance on…

Machine Learning · Computer Science 2025-09-09 Jaeyeon Kim , Lee Cheuk-Kit , Carles Domingo-Enrich , Yilun Du , Sham Kakade , Timothy Ngotiaoco , Sitan Chen , Michael Albergo

Masked diffusion language models (MDLMs) offer the potential for parallel token generation, but most open-source MDLMs decode fewer than 5 tokens per model forward pass even with sophisticated sampling strategies, limiting their parallel…

Machine Learning · Computer Science 2026-02-09 Shirui Chen , Jiantao Jiao , Lillian J. Ratliff , Banghua Zhu

Masked diffusion models (MDMs) have achieved notable progress in modeling discrete data, while their potential in molecular generation remains underexplored. In this work, we explore their potential and introduce the surprising result that…

Machine Learning · Computer Science 2025-09-29 Hyunjin Seo , Taewon Kim , Sihyun Yu , SungSoo Ahn

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

Diffusion-based language models offer a compelling alternative to autoregressive (AR) models by enabling parallel and controllable generation. Within this family, Masked Diffusion Models (MDMs) currently perform best but still underperform…

Despite a growing interest in diffusion-based language models, existing work has not shown that these models can attain nontrivial likelihoods on standard language modeling benchmarks. In this work, we take the first steps towards closing…

Computation and Language · Computer Science 2023-05-31 Ishaan Gulrajani , Tatsunori B. Hashimoto

Denoising Diffusion Probabilistic Models (DDPMs) have emerged as a powerful family of generative models that can yield high-fidelity samples and competitive log-likelihoods across a range of domains, including image and speech synthesis.…

Machine Learning · Computer Science 2021-06-08 Daniel Watson , Jonathan Ho , Mohammad Norouzi , William Chan

Existing core-set selection methods predominantly rely on heuristic scoring signals such as training dynamics or model uncertainty, lacking explicit modeling of data likelihood. This omission may hinder the constructed subset from capturing…

Computer Vision and Pattern Recognition · Computer Science 2025-11-25 Mingyang Chen , Jiawei Du , Bo Huang , Yi Wang , Xiaobo Zhang , Wei Wang

Reinforcement learning has been widely applied to diffusion and flow models for visual tasks such as text-to-image generation. However, these tasks remain challenging because diffusion models have intractable likelihoods, which creates a…

Machine Learning · Computer Science 2026-05-20 Jaemoo Choi , Yuchen Zhu , Wei Guo , Petr Molodyk , Bo Yuan , Jinbin Bai , Yi Xin , Molei Tao , Yongxin Chen

Masked Diffusion Models (MDMs) as language models generate by iteratively unmasking tokens, yet their performance crucially depends on the inference time order of unmasking. Prevailing heuristics, such as confidence based sampling, are…

Machine Learning · Computer Science 2025-11-11 Sanghyun Lee , Seungryong Kim , Jongho Park , Dongmin Park

As machine learning models are deployed ever more broadly, it becomes increasingly important that they are not only able to perform well on their training distribution, but also yield accurate predictions when confronted with distribution…

Machine Learning · Computer Science 2022-04-14 Paul Michel , Tatsunori Hashimoto , Graham Neubig

We show that a language model's ability to predict text is tightly linked to the breadth of its embedding space: models that spread their contextual representations more widely tend to achieve lower perplexity. Concretely, we find that…

Computation and Language · Computer Science 2026-04-21 Yanhong Li , Ming Li , Karen Livescu , Jiawei Zhou

Modern successes of diffusion models in learning complex, high-dimensional data distributions are attributed, in part, to their capability to construct diffusion processes with analytic transition kernels and score functions. The…

Machine Learning · Statistics 2024-03-01 Guan-Horng Liu , Tianrong Chen , Evangelos A. Theodorou , Molei Tao

In this work, we propose Dimple, the first Discrete Diffusion Multimodal Large Language Model (DMLLM). We observe that training with a purely discrete diffusion approach leads to significant training instability, suboptimal performance, and…

Computer Vision and Pattern Recognition · Computer Science 2025-05-27 Runpeng Yu , Xinyin Ma , Xinchao Wang

Distribution matching (DM) is a versatile domain-invariant representation learning technique that has been applied to tasks such as fair classification, domain adaptation, and domain translation. Non-parametric DM methods struggle with…

Machine Learning · Computer Science 2025-06-18 Ziyu Gong , Jim Lim , David I. Inouye

Masked diffusion language models (MDMs) uniquely support any-order generation, with confidence-based decoding currently serving as the de facto standard inference policy. To optimize for this, recent training schemes attempt to align…

Artificial Intelligence · Computer Science 2026-05-29 Dueun Kim , Albert No

This paper shows how diffusion language models (DLMs) can be used as effective and efficient retrievers. Existing DLM-based retrievers (e.g., DiffEmbed) follow BERT-style encoding, representing each query or passage as a single mean-pooled…

Information Retrieval · Computer Science 2026-05-29 Shuai Wang , Yu Yin , Shengyao Zhuang , Bevan Koopman , Guido Zuccon

Autoregressive language models (ARMs) suffer from the reversal curse: after learning ''$A$ is $B$,'' they often fail on the reverse query ''$B$ is $A$.'' Masked diffusion language models (MDMs) exhibit this failure in a much weaker form,…

Artificial Intelligence · Computer Science 2026-05-13 Moongyu Jeon , Sangwoo Shin , BumJun Kim , Kyelim Lee , Albert No