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Aug 25

RIBOSPAN: A Long-Context RNA Foundation Model for Versatile RNA Modeling

Full-length RNAs, particularly messenger RNAs, often exceed the context lengths used to pretrain existing RNA foundation models, limiting complete-transcript modeling at single-nucleotide resolution. We present RIBOSPAN, a 1.61-billion-parameter bidirectional RNA foundation model natively pretrained with context lengths up to 10,240 nt. RIBOSPAN combines dense bidirectional self-attention, single-nucleotide tokenization, and attention-isolated sequence packing to enable high-resolution modeling of complete long RNAs. We evaluate the model through nucleotide reconstruction, a controlled long-context representation benchmark, and frozen RNA-type representation analysis. Native 10K pretraining preserves strong reconstruction at 10,240 tokens, while continued pretraining with 40% masking improves recovery under heavy corruption while preserving representation quality. The long-context benchmark further shows that native 10K models maintain strong contextual responsiveness and context-specific representation separation while keeping perturbation-induced representation changes highly localized. Inference-time YaRN scaling recovers much of the contextual organization lost by direct extrapolation of short-context models, but induces substantially greater distal representation diffusion. Frozen-representation evaluations further demonstrate state-of-the-art RNA representation quality, with RIBOSPAN achieving the strongest overall performance across diverse RNA types and retaining a clear advantage on long RNAs. Building on the same backbone, we develop a multidimensionally conditioned discrete-diffusion framework for full-length mRNA generation and redesign, including synonymous-codon diffusion for protein-preserving CDS optimization. Together, RIBOSPAN establishes a powerful long-context foundation for transferable RNA representation learning and full-transcript mRNA design.

SII-GAIR-NLP SII-GAIR
·
Aug 23 1

D3LM: A Discrete DNA Diffusion Language Model for Bidirectional DNA Understanding and Generation

Early DNA foundation models adopted BERT-style training, achieving good performance on DNA understanding tasks but lacking generative capabilities. Recent autoregressive models enable DNA generation, but employ left-to-right causal modeling that is suboptimal for DNA where regulatory relationships are inherently bidirectional. We present D3LM (Discrete DNA Diffusion Language Model), which unifies bidirectional representation learning and DNA generation through masked diffusion. D3LM directly adopts the Nucleotide Transformer (NT) v2 architecture but reformulates the training objective as masked diffusion in discrete DNA space, enabling both bidirectional understanding and generation capabilities within a single model. Compared to NT v2 of the same size, D3LM achieves improved performance on understanding tasks. Notably, on regulatory element generation, D3LM achieves an SFID of 10.92, closely approaching real DNA sequences (7.85) and substantially outperforming the previous best result of 29.16 from autoregressive models. Our work suggests diffusion language models as a promising paradigm for unified DNA foundation models. We further present the first systematic study of masked diffusion models in the DNA domain, investigating practical design choices such as tokenization schemes and sampling strategies, thereby providing empirical insights and a solid foundation for future research. D3LM has been released at https://huggingface.co/collections/Hengchang-Liu/d3lm.

  • 4 authors
·
Mar 2

The Superposition of Diffusion Models Using the Itô Density Estimator

The Cambrian explosion of easily accessible pre-trained diffusion models suggests a demand for methods that combine multiple different pre-trained diffusion models without incurring the significant computational burden of re-training a larger combined model. In this paper, we cast the problem of combining multiple pre-trained diffusion models at the generation stage under a novel proposed framework termed superposition. Theoretically, we derive superposition from rigorous first principles stemming from the celebrated continuity equation and design two novel algorithms tailor-made for combining diffusion models in SuperDiff. SuperDiff leverages a new scalable It\^o density estimator for the log likelihood of the diffusion SDE which incurs no additional overhead compared to the well-known Hutchinson's estimator needed for divergence calculations. We demonstrate that SuperDiff is scalable to large pre-trained diffusion models as superposition is performed solely through composition during inference, and also enjoys painless implementation as it combines different pre-trained vector fields through an automated re-weighting scheme. Notably, we show that SuperDiff is efficient during inference time, and mimics traditional composition operators such as the logical OR and the logical AND. We empirically demonstrate the utility of using SuperDiff for generating more diverse images on CIFAR-10, more faithful prompt conditioned image editing using Stable Diffusion, and improved unconditional de novo structure design of proteins. https://github.com/necludov/super-diffusion

  • 5 authors
·
Dec 23, 2024 2

mRNAutilus: Multi-Objective-Guided Discrete Generation of mRNA with Optimized Therapeutic Properties

Therapeutic mRNA design requires coordinating multiple interacting sequence features across the full transcript, where codon usage, untranslated regions (UTRs), and their coupling jointly determine stability, translation efficiency, and protein expression. Here, we present mRNA generation via unrolled trajectories and informed latent updates (mRNAutilus), a framework for simultaneous codon optimization and de novo UTR design directly from sequence. mRNAutilus combines a masked discrete diffusion model trained on millions of full-length mRNAs with Monte Carlo Tree Guidance to generate Pareto-efficient sequences under multiple functional objectives, using lightweight regressors over model embeddings to predict half-life, translation efficiency, and protein abundance. Unlike recent methods that design coding sequences and UTRs separately or rely on post hoc assembly and screening, mRNAutilus generates complete transcripts in a single process optimized across properties. Across diverse targets, zero-shot mRNAs encoding P. pyralis luciferase achieve over 400-fold higher expression than wild-type and outperform commercial and machine learning-designed baselines, including zero-shot generative approaches. Zero-shot SARS-CoV-2 Spike mRNAs exceed clinically used and commercial constructs and match or surpass lab-optimized designs with improved durability. We further demonstrate generality in therapeutic settings, including prime editing (PEMax) and programmable proteome modulation, where mRNAutilus-designed constructs enhance expression of peptide-guided E3 ligases (uAbs) for beta-catenin degradation. These results establish a sequence-based, multi-objective framework for generating functional mRNAs tailored to diverse biological applications.

  • 11 authors
·
May 29

Diffusion Sequence Models for Enhanced Protein Representation and Generation

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language Models (pLMs) aim to unlock insights from the vast space of unlabeled protein sequences by learning rich, semantic representations from primary sequences via masked language modeling. However, these models typically exhibit limited generative capacity. In this work, we introduce the Diffusion Sequence Model (DSM), a novel pLM trained with masked diffusion to enable both high-quality representation learning and generative protein design. DSM builds upon the ESM2 architecture by incorporating a masked forward diffusion process inspired by the LLaDA framework. After training, DSM is capable of generating diverse, biomimetic sequences that align with expected amino acid compositions, secondary structures, and predicted functions, even with 90\% token corruption. Furthermore, DSM's learned representations match or exceed those of similarly sized pLMs on downstream tasks. We also introduce DSM(ppi), a variant fine-tuned to generate protein binders by attending to target sequences. We demonstrate DSM(ppi)'s effectiveness on the challenging Bench-tested Binder Benchmark (BenchBB), where both DSM and DSM(ppi) produce candidates with superior predicted binding affinity compared to known binders. Our results establish masked diffusion as a powerful paradigm for unifying protein representation and generation in a single framework.

  • 4 authors
·
Jun 9, 2025

Fine-Tuning Discrete Diffusion Models via Reward Optimization with Applications to DNA and Protein Design

Recent studies have demonstrated the strong empirical performance of diffusion models on discrete sequences across domains from natural language to biological sequence generation. For example, in the protein inverse folding task, conditional diffusion models have achieved impressive results in generating natural-like sequences that fold back into the original structure. However, practical design tasks often require not only modeling a conditional distribution but also optimizing specific task objectives. For instance, we may prefer protein sequences with high stability. To address this, we consider the scenario where we have pre-trained discrete diffusion models that can generate natural-like sequences, as well as reward models that map sequences to task objectives. We then formulate the reward maximization problem within discrete diffusion models, analogous to reinforcement learning (RL), while minimizing the KL divergence against pretrained diffusion models to preserve naturalness. To solve this RL problem, we propose a novel algorithm, DRAKES, that enables direct backpropagation of rewards through entire trajectories generated by diffusion models, by making the originally non-differentiable trajectories differentiable using the Gumbel-Softmax trick. Our theoretical analysis indicates that our approach can generate sequences that are both natural-like and yield high rewards. While similar tasks have been recently explored in diffusion models for continuous domains, our work addresses unique algorithmic and theoretical challenges specific to discrete diffusion models, which arise from their foundation in continuous-time Markov chains rather than Brownian motion. Finally, we demonstrate the effectiveness of DRAKES in generating DNA and protein sequences that optimize enhancer activity and protein stability, respectively, important tasks for gene therapies and protein-based therapeutics.

  • 10 authors
·
Oct 17, 2024

Latent Shadows: The Gaussian-Discrete Duality in Masked Diffusion

Masked discrete diffusion is a dominant paradigm for high-quality language modeling where tokens are iteratively corrupted to a mask state, yet its inference efficiency is bottlenecked by the lack of deterministic sampling tools. While diffusion duality enables deterministic distillation for uniform models, these approaches generally underperform masked models and rely on complex integral operators. Conversely, in the masked domain, prior methods typically assume the absence of deterministic trajectories, forcing a reliance on stochastic distillation. To bridge this gap, we establish explicit Masked Diffusion Duality, proving that the masked process arises as the projection of a continuous Gaussian process via a novel maximum-value index preservation mechanism. Furthermore, we introduce Masked Consistency Distillation (MCD), a principled framework that leverages this duality to analytically construct the deterministic coupled trajectories required for consistency distillation, bypassing numerical ODE solvers. This result strictly improves upon prior stochastic distillation methods, achieving a 16times inference speedup without compromising generation quality. Our findings not only provide a solid theoretical foundation connecting masked and continuous diffusion, but also unlock the full potential of consistency distillation for high-performance discrete generation. Our code is available at https://anonymous.4open.science/r/MCD-70FD.

  • 6 authors
·
Jan 31

From Bits to Rounds: Parallel Decoding with Exploration for Diffusion Language Models

Diffusion Language Models (DLMs) have recently emerged as a strong alternative to autoregressive language models (LMs). DLMs offer comparable accuracy with faster inference speed via parallel decoding. However, standard DLM decoding strategies relying on high-confidence tokens encounter an inherent information-theoretic bottleneck that restricts decoding progress and ultimately slows generation. We demonstrate both theoretically and empirically that prioritizing high-confidence tokens is inherently inefficient. High-probability tokens carry negligible information and strictly relying on them limits the effective progress made in each decoding round. We prove that the number of decoding rounds must grow linearly with the sample's total information (negative log-likelihood) and inversely with the per-round information budget, establishing a bits-to-rounds principle. We also propose Explore-Then-Exploit (ETE), a training-free decoding strategy that maximizes information throughput and decoding efficiency. ETE combines cross-block decoding with targeted exploration of high-uncertainty tokens to reshape the conditional distribution and trigger cascades of confident predictions. Experiments verify our theoretical bounds and demonstrate that ETE consistently reduces the required number of decoding rounds compared to confidence-only baselines without compromising generation quality.

  • 6 authors
·
Nov 26, 2025

WeDLM: Reconciling Diffusion Language Models with Standard Causal Attention for Fast Inference

Autoregressive (AR) generation is the standard decoding paradigm for Large Language Models (LLMs), but its token-by-token nature limits parallelism at inference time. Diffusion Language Models (DLLMs) offer parallel decoding by recovering multiple masked tokens per step; however, in practice they often fail to translate this parallelism into deployment speed gains over optimized AR engines (e.g., vLLM). A key reason is that many DLLMs rely on bidirectional attention, which breaks standard prefix KV caching and forces repeated contextualization, undermining efficiency. We propose WeDLM, a diffusion decoding framework built entirely on standard causal attention to make parallel generation prefix-cache friendly. The core idea is to let each masked position condition on all currently observed tokens while keeping a strict causal mask, achieved by Topological Reordering that moves observed tokens to the physical prefix while preserving their logical positions. Building on this property, we introduce a streaming decoding procedure that continuously commits confident tokens into a growing left-to-right prefix and maintains a fixed parallel workload, avoiding the stop-and-wait behavior common in block diffusion methods. Experiments show that WeDLM preserves the quality of strong AR backbones while delivering substantial speedups, approaching 3x on challenging reasoning benchmarks and up to 10x in low-entropy generation regimes; critically, our comparisons are against AR baselines served by vLLM under matched deployment settings, demonstrating that diffusion-style decoding can outperform an optimized AR engine in practice.

  • 10 authors
·
Dec 27, 2025

Free Lunch for Pass@k? Low Cost Diverse Sampling for Diffusion Language Models

Diverse outputs in text generation are necessary for effective exploration in complex reasoning tasks, such as code generation and mathematical problem solving. Such Pass@k problems benefit from distinct candidates covering the solution space. However, traditional sampling approaches often waste computational resources on repetitive failure modes. While Diffusion Language Models have emerged as a competitive alternative to the prevailing Autoregressive paradigm, they remain susceptible to this redundancy, with independent samples frequently collapsing into similar modes. To address this, we propose a training free, low cost intervention to enhance generative diversity in Diffusion Language Models. Our approach modifies intermediate samples in a batch sequentially, where each sample is repelled from the feature space of previous samples, actively penalising redundancy. Unlike prior methods that require retraining or beam search, our strategy incurs negligible computational overhead, while ensuring that each sample contributes a unique perspective to the batch. We evaluate our method on the HumanEval and GSM8K benchmarks using the LLaDA-8B-Instruct model. Our results demonstrate significantly improved diversity and Pass@k performance across various temperature settings. As a simple modification to the sampling process, our method offers an immediate, low-cost improvement for current and future Diffusion Language Models in tasks that benefit from diverse solution search. We make our code available at https://github.com/sean-lamont/odd.

  • 5 authors
·
Mar 5 2

MDPO: Overcoming the Training-Inference Divide of Masked Diffusion Language Models

Diffusion language models, as a promising alternative to traditional autoregressive (AR) models, enable faster generation and richer conditioning on bidirectional context. However, they suffer from a key discrepancy between training and inference: during inference, MDLMs progressively reveal the structure of the generated sequence by producing fewer and fewer masked tokens, whereas this structure is ignored in training as tokens are masked at random. Although this discrepancy between training and inference can lead to suboptimal performance, it has been largely overlooked by previous works, leaving closing this gap between the two stages an open problem. To address this, we frame the problem of learning effective denoising trajectories as a sequential decision-making problem and use the resulting framework to apply reinforcement learning. We propose a novel Masked Diffusion Policy Optimization (MDPO) to exploit the Markov property diffusion possesses and explicitly train the model under the same progressive refining schedule used at inference. MDPO matches the performance of the previous state-of-the-art (SOTA) method with 60x fewer gradient updates, while achieving average improvements of 9.6% on MATH500 and 54.2% on Countdown over SOTA when trained within the same number of weight updates. Additionally, we improve the remasking strategy of MDLMs as a plug-in inference replacement to overcome the limitation that the model cannot refine tokens flexibly. This simple yet effective training-free strategy, what we refer to as RCR, consistently improves performance and yields additional gains when combined with MDPO. Our findings establish great potential for investigating the discrepancy between pre-training and inference of MDLMs. Code: https://github.com/autonomousvision/mdpo. Project Page: https://cli212.github.io/MDPO/.

  • 4 authors
·
Aug 18, 2025

Dystruct: Dynamically Structured Diffusion Language Model Decoding via Bayesian Inference

Diffusion language models (DLMs) have recently emerged as a promising alternative to autoregressive models, primarily due to their ability to enable parallel decoding. Despite this advantage, most existing DLMs rely on a fixed generation length specified prior to decoding, which restricts their flexibility in real-world applications. While a few recent works attempt to support flexible-length generation, they typically suffer from notable limitations: some require costly retraining to accommodate variable-length outputs, while others depend solely on local confidence signals during decoding. Such local criteria fail to capture the evolving structure of the sequence, often resulting in suboptimal generation quality. In this paper, we propose a training-free, Bayesian structured decoding framework that formulates flexible-length generation as a dynamic structural inference problem. Our approach formulates flexible-length generation as a dynamic structural inference problem, jointly computing the expansion length, the block boundaries, and the decoding schedule. At each window expansion step, the method integrates local uncertainty with structural signals via a unified mechanism that supports dynamic structured generation, including both flexible block expansion and block organization, while maintaining coherence. Extensive experiments across multiple benchmarks demonstrate that our approach significantly improves generation quality and flexibility over existing fixed-length and flexible-length baselines. These results highlight the advantage of Bayesian structured decoding for diffusion language model, providing a principled and efficient solution for structured text generation.

  • 4 authors
·
May 9 1

A Survey on Diffusion Language Models

Diffusion Language Models (DLMs) are rapidly emerging as a powerful and promising alternative to the dominant autoregressive (AR) paradigm. By generating tokens in parallel through an iterative denoising process, DLMs possess inherent advantages in reducing inference latency and capturing bidirectional context, thereby enabling fine-grained control over the generation process. While achieving a several-fold speed-up, recent advancements have allowed DLMs to show performance comparable to their autoregressive counterparts, making them a compelling choice for various natural language processing tasks. In this survey, we provide a holistic overview of the current DLM landscape. We trace its evolution and relationship with other paradigms, such as autoregressive and masked language models, and cover both foundational principles and state-of-the-art models. Our work offers an up-to-date, comprehensive taxonomy and an in-depth analysis of current techniques, from pre-training strategies to advanced post-training methods. Another contribution of this survey is a thorough review of DLM inference strategies and optimizations, including improvements in decoding parallelism, caching mechanisms, and generation quality. We also highlight the latest approaches to multimodal extensions of DLMs and delineate their applications across various practical scenarios. Furthermore, our discussion addresses the limitations and challenges of DLMs, including efficiency, long-sequence handling, and infrastructure requirements, while outlining future research directions to sustain progress in this rapidly evolving field. Project GitHub is available at https://github.com/VILA-Lab/Awesome-DLMs.

  • 4 authors
·
Aug 14, 2025 2

UniGenX: Unified Generation of Sequence and Structure with Autoregressive Diffusion

Unified generation of sequence and structure for scientific data (e.g., materials, molecules, proteins) is a critical task. Existing approaches primarily rely on either autoregressive sequence models or diffusion models, each offering distinct advantages and facing notable limitations. Autoregressive models, such as GPT, Llama, and Phi-4, have demonstrated remarkable success in natural language generation and have been extended to multimodal tasks (e.g., image, video, and audio) using advanced encoders like VQ-VAE to represent complex modalities as discrete sequences. However, their direct application to scientific domains is challenging due to the high precision requirements and the diverse nature of scientific data. On the other hand, diffusion models excel at generating high-dimensional scientific data, such as protein, molecule, and material structures, with remarkable accuracy. Yet, their inability to effectively model sequences limits their potential as general-purpose multimodal foundation models. To address these challenges, we propose UniGenX, a unified framework that combines autoregressive next-token prediction with conditional diffusion models. This integration leverages the strengths of autoregressive models to ease the training of conditional diffusion models, while diffusion-based generative heads enhance the precision of autoregressive predictions. We validate the effectiveness of UniGenX on material and small molecule generation tasks, achieving a significant leap in state-of-the-art performance for material crystal structure prediction and establishing new state-of-the-art results for small molecule structure prediction, de novo design, and conditional generation. Notably, UniGenX demonstrates significant improvements, especially in handling long sequences for complex structures, showcasing its efficacy as a versatile tool for scientific data generation.

  • 25 authors
·
Mar 9, 2025

Derivative-Free Guidance in Continuous and Discrete Diffusion Models with Soft Value-Based Decoding

Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while preserving the naturalness of these design spaces. Existing methods for achieving this goal often require ``differentiable'' proxy models (e.g., classifier guidance or DPS) or involve computationally expensive fine-tuning of diffusion models (e.g., classifier-free guidance, RL-based fine-tuning). In our work, we propose a new method to address these challenges. Our algorithm is an iterative sampling method that integrates soft value functions, which looks ahead to how intermediate noisy states lead to high rewards in the future, into the standard inference procedure of pre-trained diffusion models. Notably, our approach avoids fine-tuning generative models and eliminates the need to construct differentiable models. This enables us to (1) directly utilize non-differentiable features/reward feedback, commonly used in many scientific domains, and (2) apply our method to recent discrete diffusion models in a principled way. Finally, we demonstrate the effectiveness of our algorithm across several domains, including image generation, molecule generation, and DNA/RNA sequence generation. The code is available at https://github.com/masa-ue/SVDD{https://github.com/masa-ue/SVDD}.

  • 10 authors
·
Aug 15, 2024

Constrained Decoding of Diffusion LLMs with Context-Free Grammars

Large language models (LLMs) have shown promising performance across diverse domains. Many practical applications of LLMs, such as code completion and structured data extraction, require adherence to syntactic constraints specified by a formal language. Yet, due to their probabilistic nature, LLM output is not guaranteed to adhere to such formal languages. Prior work has proposed constrained decoding as a means to restrict LLM generation to particular formal languages. However, existing works are not applicable to the emerging paradigm of diffusion LLMs, when used in practical scenarios such as the generation of formally correct C++ or JSON output. In this paper we address this challenge and present the first constrained decoding method for diffusion models, one that can handle formal languages captured by context-free grammars. We begin by reducing constrained decoding to the more general additive infilling problem, which asks whether a partial output can be completed to a valid word in the target language. This problem also naturally subsumes the previously unaddressed multi-region infilling constrained decoding. We then reduce this problem to the task of deciding whether the intersection of the target language and a regular language is empty and present an efficient algorithm to solve it for context-free languages. Empirical results on various applications, such as C++ code infilling and structured data extraction in JSON, demonstrate that our method achieves near-perfect syntactic correctness while consistently preserving or improving functional correctness. Importantly, our efficiency optimizations ensure that the computational overhead remains practical.

  • 3 authors
·
Aug 13, 2025

Your Absorbing Discrete Diffusion Secretly Models the Conditional Distributions of Clean Data

Discrete diffusion models with absorbing processes have shown promise in language modeling. The key quantities to be estimated are the ratios between the marginal probabilities of two transitive states at all timesteps, called the concrete score. In this paper, we reveal that the concrete score in absorbing diffusion can be expressed as conditional probabilities of clean data, multiplied by a time-dependent scalar in an analytic form. Motivated by this finding, we propose reparameterized absorbing discrete diffusion (RADD), a dedicated diffusion model without time-condition that characterizes the time-independent conditional probabilities. Besides its simplicity, RADD can reduce the number of function evaluations (NFEs) by caching the output of the time-independent network when the noisy sample remains unchanged in a sampling interval. Empirically, RADD is up to 3.5 times faster while achieving similar performance with the strongest baseline. Built upon the new perspective of conditional distributions, we further unify absorbing discrete diffusion and any-order autoregressive models (AO-ARMs), showing that the upper bound on the negative log-likelihood for the diffusion model can be interpreted as an expected negative log-likelihood for AO-ARMs. Further, our RADD models achieve SOTA performance among diffusion models on 5 zero-shot language modeling benchmarks (measured by perplexity) at the GPT-2 scale. Our code is available at https://github.com/ML-GSAI/RADD.

  • 7 authors
·
Jun 6, 2024

DiffusionGemma Technical Report

We introduce DiffusionGemma, an experimental open-weight language model that uses discrete diffusion to generate text at exceptionally high speed. Rather than decoding one token at a time, DiffusionGemma iteratively refines blocks of 256 tokens in parallel, avoiding the sequential decoding bottleneck of conventional autoregressive (AR) large language models. Instead of training from scratch, we obtain DiffusionGemma by fine-tuning the mixture-of-experts Gemma 4 model with 3.8B activated and 25.2B total parameters. Our compute-efficient two-stage training pipeline uses fewer than 10% of the starting AR model's total training token budget. The first stage uses supervised fine-tuning to teach bidirectional denoising, while the second stage combines reinforcement learning with sampler distillation to jointly improve generation quality and inference efficiency. DiffusionGemma establishes a new Pareto frontier for the trade-off between generation speed and model capability. Averaged across our full evaluation suite, it generates around 20 tokens per forward pass and achieves roughly 1,500 output tokens per second on a single NVIDIA H100 GPU, which is substantially faster than AR models even with state-of-the-art speculative decoding. DiffusionGemma also retains the starting model's support for thinking mode, multimodal inputs, and long contexts. Despite diffusion fine-tuning, it remains capable of AR generation with only minor performance degradation, suggesting a path toward hybrid diffusion-AR decoding.

deepmind Deepmind
·
Jul 30 1

Window-Diffusion: Accelerating Diffusion Language Model Inference with Windowed Token Pruning and Caching

Diffusion language models (DLMs) generate text through iterative denoising, but inference requires full-sequence attention at every iteration, resulting in substantial redundant computation on masked tokens. Block-wise diffusion can reduce this cost, yet it typically relies on retraining and constrained update orders, limiting its direct applicability to pretrained DLMs. Our token-level analysis reveals pronounced structural locality in DLM inference. Decoding is driven by a small set of prefix-localized active tokens; the influence of distant undecoded context diminishes rapidly, and decoded tokens exhibit stage-wise temporal stability, enabling reuse of intermediate representations except for a brief post-decode transient. Motivated by these observations, we propose \placeholderThe source code is available at https://github.com/vhicrgit/Window-Diffusion., a window-based token pruning and caching method for inference. We maintain a local computation window that slides rightward as denoising progresses, and partition undecoded tokens into: (i) active tokens that are computed online, (ii) buffer tokens whose KV states are cached and periodically refreshed, and (iii) far-field tokens that are pruned outside the window. Computation is restricted to active and buffer tokens within the window, while far-field tokens are omitted at each stage. Experiments on LLaDA and Dream show that, under matched compute budgets, our method achieves up to 99times inference speedup while largely preserving generation performance.

  • 6 authors
·
Jan 28

Towards Closing the Autoregressive Gap in Language Modeling via Entropy-Gated Continuous Bitstream Diffusion

Diffusion language models (DLMs) promise parallel, order-agnostic generation, but on standard benchmarks they have historically lagged behind autoregressive models in sample quality and diversity. Recent continuous flow and diffusion approaches over token embeddings have narrowed this gap, suggesting continuous state spaces are highly effective for language. In this work, we further close the autoregressive gap by modeling text as a continuous diffusion process over fixed-width binary bitstreams. Our approach represents semantic tokens as analog bit sequences and utilizes a matched-filter residual parameterization to isolate contextual learning from analytic independent-bit posteriors. Crucially, we adopt a stochastic sampler that applies Langevin-type corrections gated by the entropy-rate profile, automatically concentrating stochasticity in high-information regions while remaining nearly deterministic elsewhere. On the One Billion Word Benchmark (LM1B), our 130M-parameter bitstream model reaches a generative perplexity (GenPPL) of 59.76 at matched real-data entropy (4.31) using 256 neural function evaluations (NFEs), decisively outperforming prior DLM baselines and reaching the autoregressive reference. On OpenWebText (OWT), our stochastic sampler establishes a new continuous-DLM Pareto frontier, achieving GenPPL=27.06 at an entropy of 5.26 using 4times fewer steps than previous 1024-NFE baselines. As an additional architectural benefit, bitstream diffusion removes the O(V) vocabulary scaling bottleneck shared by standard DLMs. By predicting O(log V) bitwise logits via semantic bit-patching, our model yields a reduced memory footprint and higher throughput, demonstrating a scalable paradigm for language generation as vocabulary sizes grow.

  • 3 authors
·
May 6

Taming Masked Diffusion Language Models via Consistency Trajectory Reinforcement Learning with Fewer Decoding Step

Masked diffusion language models (MDLMs) have recently emerged as a promising alternative to autoregressive (AR) language models, offering properties such as parallel decoding, flexible generation orders, and the potential for fewer inference steps. Despite these advantages, decoding strategies and reinforcement learning (RL) algorithms tailored for MDLMs remain underexplored. A naive approach is to directly transfer techniques well-established for AR models to MDLMs. However, this raises an immediate question: Is such a naive transfer truly optimal? For example, 1) Block-wise and semi-AR decoding strategies are not employed during the training of MDLMs, so why do they outperform full diffusion-style decoding during inference? 2) Applying RL algorithms designed for AR models directly to MDLMs exhibits a training-inference inconsistency, since MDLM decoding are non-causal (parallel). This results in inconsistencies between the rollout trajectory and the optimization trajectory. To address these challenges, we propose EOS Early Rejection (EOSER) and Ascending Step-Size (ASS) decoding scheduler, which unlock the potential of MDLMs to perform full diffusion-style decoding, achieving competitive performance with fewer decoding steps. Additionally, we introduce Consistency Trajectory Group Relative Policy Optimization (CJ-GRPO) for taming MDLMs, which emphasizes the consistency between rollout trajectory and optimization trajectory, and reduces the optimization errors caused by skip-step optimization. We conduct extensive experiments on reasoning tasks, such as mathematical and planning benchmarks, using LLaDA-8B-Instruct. The results demonstrate that the proposed EOSER and ASS mechanisms, together with CJ-GRPO, hold significant promise for effectively and efficiently taming MDLMs. Code: https://github.com/yjyddq/EOSER-ASS-RL.

Fudan-University Fudan University
·
Sep 28, 2025 1

DiffuCoder: Understanding and Improving Masked Diffusion Models for Code Generation

Diffusion large language models (dLLMs) are compelling alternatives to autoregressive (AR) models because their denoising models operate over the entire sequence. The global planning and iterative refinement features of dLLMs are particularly useful for code generation. However, current training and inference mechanisms for dLLMs in coding are still under-explored. To demystify the decoding behavior of dLLMs and unlock their potential for coding, we systematically investigate their denoising processes and reinforcement learning (RL) methods. We train a 7B dLLM, DiffuCoder, on 130B tokens of code. Using this model as a testbed, we analyze its decoding behavior, revealing how it differs from that of AR models: (1) dLLMs can decide how causal their generation should be without relying on semi-AR decoding, and (2) increasing the sampling temperature diversifies not only token choices but also their generation order. This diversity creates a rich search space for RL rollouts. For RL training, to reduce the variance of token log-likelihood estimates and maintain training efficiency, we propose coupled-GRPO, a novel sampling scheme that constructs complementary mask noise for completions used in training. In our experiments, coupled-GRPO significantly improves DiffuCoder's performance on code generation benchmarks (+4.4\% on EvalPlus) and reduces reliance on AR causal during decoding. Our work provides deeper insight into the machinery of dLLM generation and offers an effective, diffusion-native RL training framework. https://github.com/apple/ml-diffucoder.

  • 7 authors
·
Jun 25, 2025 3

CtrlDiff: Boosting Large Diffusion Language Models with Dynamic Block Prediction and Controllable Generation

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 emerged as a compelling alternative due to their powerful parallel generation capabilities and inherent editability. However, these models are often constrained by fixed-length generation. A promising direction is to combine the strengths of both paradigms, segmenting sequences into blocks, modeling autoregressive dependencies across blocks while leveraging discrete diffusion to estimate the conditional distribution within each block given the preceding context. Nevertheless, their practical application is often hindered by two key limitations: rigid fixed-length outputs and a lack of flexible control mechanisms. In this work, we address the critical limitations of fixed granularity and weak controllability in current large diffusion language models. We propose CtrlDiff, a dynamic and controllable semi-autoregressive framework that adaptively determines the size of each generation block based on local semantics using reinforcement learning. Furthermore, we introduce a classifier-guided control mechanism tailored to discrete diffusion, which significantly reduces computational overhead while facilitating efficient post-hoc conditioning without retraining. Extensive experiments demonstrate that CtrlDiff sets a new standard among hybrid diffusion models, narrows the performance gap to state-of-the-art autoregressive approaches, and enables effective conditional text generation across diverse tasks.

  • 2 authors
·
May 20, 2025

Learning Unmasking Policies for Diffusion Language Models

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 particularly successful variant is masked discrete diffusion, in which a buffer filled with special mask tokens is progressively replaced with tokens sampled from the model's vocabulary. Efficiency can be gained by unmasking several tokens in parallel, but doing too many at once risks degrading the generation quality. Thus, one critical design aspect of dLLMs is the sampling procedure that selects, at each step of the diffusion process, which tokens to replace. Indeed, recent work has found that heuristic strategies such as confidence thresholding lead to both higher quality and token throughput compared to random unmasking. However, such heuristics have downsides: they require manual tuning, and we observe that their performance degrades with larger buffer sizes. In this work, we instead propose to train sampling procedures using reinforcement learning. Specifically, we formalize masked diffusion sampling as a Markov decision process in which the dLLM serves as the environment, and propose a lightweight policy architecture based on a single-layer transformer that maps dLLM token confidences to unmasking decisions. Our experiments show that these trained policies match the performance of state-of-the-art heuristics when combined with semi-autoregressive generation, while outperforming them in the full diffusion setting. We also examine the transferability of these policies, finding that they can generalize to new underlying dLLMs and longer sequence lengths. However, we also observe that their performance degrades when applied to out-of-domain data, and that fine-grained tuning of the accuracy-efficiency trade-off can be challenging with our approach.

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Dec 9, 2025 2

Lookahead-then-Verify: Reliable Constrained Decoding for Diffusion LLMs under Context-Free Grammars

Diffusion Large Language Models (dLLMs) have demonstrated promising generative capabilities and are increasingly used to produce formal languages defined by context-free grammars, such as source code and chemical expressions. However, as probabilistic models, they still struggle to generate syntactically valid outputs reliably. A natural and promising direction to address this issue is to adapt constrained decoding techniques to enforce grammatical correctness during generation. However, applying these techniques faces two primary obstacles. On the one hand, the non-autoregressive nature of dLLMs renders most existing constrained decoding approaches inapplicable. On the other hand, current approaches specifically designed for dLLMs may allow intermediate outputs that are impossible to complete into valid sentences, which significantly limits their reliability in practice. To address these challenges, we present LAVE, a constrained decoding approach specifically designed for dLLMs. Our approach leverages a key property of dLLMs, namely their ability to predict token distributions for all positions in parallel during each forward pass. Whenever a new token is proposed by model, LAVE performs lookahead using these distributions to efficiently and reliably verify the validity of the proposed token. This design ensures reliable constraints by reliably preserving the potential for intermediate outputs to be extended into valid sentences. Extensive experiments across four widely used dLLMs and three representative benchmarks demonstrate that LAVE consistently outperforms existing baselines and achieves substantial improvements in syntactic correctness, while incurring negligible runtime overhead.

  • 7 authors
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Feb 7

Consistent Diffusion Language Models

Diffusion language models (DLMs) are an attractive alternative to autoregressive models because they promise sublinear-time, parallel generation, yet practical gains remain elusive as high-quality samples still demand hundreds of refinement steps. In continuous domains, consistency training along the probability-flow ODE is a popular recipe to accelerate diffusion. For discrete diffusion, no analogous sample-space ODE exists, making direct adaptation ill-defined. We argue that the natural discrete substitute is not a deterministic trajectory but its stochastic counterpart: the exact posterior bridge, available in closed form for broad corruption families including masked and uniform diffusion. Building on this observation, we introduce Multi-Path Discrete Consistency (MPDC), a new principle that trains a denoiser to be path-invariant in expectation across these stochastic bridges, and instantiate it as the Consistent Diffusion Language Model (CDLM), a single-stage, teacher-free training framework. A single CDLM objective unifies masked diffusion, continuous consistency models, and progressive/discrete distillation as analytic limits or empirical approximations of one common view. Empirically, CDLM establishes a new state of the art on both conditional and unconditional text-generation, consistently outperforming strong base discrete diffusion models and often even multi-stage distilled baselines across sampling budgets, with the largest gains in the few-step regime. Together, these results position CDLM as a principled and scalable foundation for the next generation of fast, high-fidelity discrete generative modeling.

  • 7 authors
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Apr 29

Meissonic: Revitalizing Masked Generative Transformers for Efficient High-Resolution Text-to-Image Synthesis

Diffusion models, such as Stable Diffusion, have made significant strides in visual generation, yet their paradigm remains fundamentally different from autoregressive language models, complicating the development of unified language-vision models. Recent efforts like LlamaGen have attempted autoregressive image generation using discrete VQVAE tokens, but the large number of tokens involved renders this approach inefficient and slow. In this work, we present Meissonic, which elevates non-autoregressive masked image modeling (MIM) text-to-image to a level comparable with state-of-the-art diffusion models like SDXL. By incorporating a comprehensive suite of architectural innovations, advanced positional encoding strategies, and optimized sampling conditions, Meissonic substantially improves MIM's performance and efficiency. Additionally, we leverage high-quality training data, integrate micro-conditions informed by human preference scores, and employ feature compression layers to further enhance image fidelity and resolution. Our model not only matches but often exceeds the performance of existing models like SDXL in generating high-quality, high-resolution images. Extensive experiments validate Meissonic's capabilities, demonstrating its potential as a new standard in text-to-image synthesis. We release a model checkpoint capable of producing 1024 times 1024 resolution images.

  • 9 authors
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Oct 10, 2024 2

Accelerating Diffusion Language Model Inference via Efficient KV Caching and Guided Diffusion

Diffusion language models offer parallel token generation and inherent bidirectionality, promising more efficient and powerful sequence modeling compared to autoregressive approaches. However, state-of-the-art diffusion models (e.g., Dream 7B, LLaDA 8B) suffer from slow inference. While they match the quality of similarly sized Autoregressive (AR) Models (e.g., Qwen2.5 7B, Llama3 8B), their iterative denoising requires multiple full-sequence forward passes, resulting in high computational costs and latency, particularly for long input prompts and long-context scenarios. Furthermore, parallel token generation introduces token incoherence problems, and current sampling heuristics suffer from significant quality drops with decreasing denoising steps. We address these limitations with two training-free techniques. First, we propose FreeCache, a Key-Value (KV) approximation caching technique that reuses stable KV projections across denoising steps, effectively reducing the computational cost of DLM inference. Second, we introduce Guided Diffusion, a training-free method that uses a lightweight pretrained autoregressive model to supervise token unmasking, dramatically reducing the total number of denoising iterations without sacrificing quality. We conduct extensive evaluations on open-source reasoning benchmarks, and our combined methods deliver up to a 34x end-to-end speedup without compromising accuracy. For the first time, diffusion language models achieve a comparable and even faster latency as the widely adopted autoregressive models. Our work successfully paved the way for scaling up the diffusion language model to a broader scope of applications across different domains.

  • 7 authors
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May 27, 2025 1

Bayesian inference from time series of allele frequency data using exact simulation techniques

A central statistical problem in population genetics is to infer evolutionary and biological parameters such as the strength of natural selection and allele age from DNA samples extracted from a contemporary population. That all samples come only from the present-day has long been known to limit statistical inference; there is potentially more information available if one also has access to ancient DNA so that inference is based on a time-series of historical changes in allele frequencies. We introduce a Markov Chain Monte Carlo (MCMC) method for Bayesian inference from allele frequency time-series data based on an underlying Wright--Fisher diffusion model of evolution, through which one can infer the parameters of essentially any selection model including those with frequency-dependent effects. The chief novelty is that we show this method to be exact in the sense that it is possible to augment the state space explored by MCMC with the unobserved diffusion trajectory, even though the transition function of this diffusion is intractable. Through careful design of a proposal distribution, we describe an efficient method in which updates to the trajectory and accept/reject decisions are calculated without error. We illustrate the method on data capturing changes in coat colour over the past 20,000 years, and find evidence to support previous findings that the mutant alleles ASIP and MC1R responsible for changes in coat color have experienced very strong, possibly overdominant, selection and further provide estimates for the ages of these genes.

  • 4 authors
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Feb 16, 2025

dKV-Cache: The Cache for Diffusion Language Models

Diffusion Language Models (DLMs) have been seen as a promising competitor for autoregressive language models. However, diffusion language models have long been constrained by slow inference. A core challenge is that their non-autoregressive architecture and bidirectional attention preclude the key-value cache that accelerates decoding. We address this bottleneck by proposing a KV-cache-like mechanism, delayed KV-Cache, for the denoising process of DLMs. Our approach is motivated by the observation that different tokens have distinct representation dynamics throughout the diffusion process. Accordingly, we propose a delayed and conditioned caching strategy for key and value states. We design two complementary variants to cache key and value step-by-step: (1) dKV-Cache-Decode, which provides almost lossless acceleration, and even improves performance on long sequences, suggesting that existing DLMs may under-utilise contextual information during inference. (2) dKV-Cache-Greedy, which has aggressive caching with reduced lifespan, achieving higher speed-ups with quadratic time complexity at the cost of some performance degradation. dKV-Cache, in final, achieves from 2-10x speedup in inference, largely narrowing the gap between ARs and DLMs. We evaluate our dKV-Cache on several benchmarks, delivering acceleration across general language understanding, mathematical, and code-generation benchmarks. Experiments demonstrate that cache can also be used in DLMs, even in a training-free manner from current DLMs.

  • 4 authors
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May 21, 2025 2

Beyond Confidence: Adaptive and Coherent Decoding for Diffusion Language Models

Diffusion Language Models (DLMs) have recently achieved significant success due to their any-order generation capabilities. However, existing inference methods typically rely on local, immediate-step metrics such as confidence or entropy which inherently lack a more reliable perspective. This limitation frequently leads to inconsistent sampling trajectories and suboptimal generation quality. To address this, we propose Coherent Contextual Decoding (CCD), a novel inference framework built upon two core innovations. First, CCD employs a trajectory rectification mechanism that leverages historical context to enhance sequence coherence, enabling the early rejection of suboptimal paths. We demonstrate that this mechanism is theoretically equivalent to modeling the consistency of historical steps via the conditional mutual information between context and token predictions. Building on this theoretical insight, we further address the inefficiency of conventional uniform decoding budgets. Instead of rigid allocations based on diffusion steps, we introduce an adaptive sampling strategy that dynamically adjusts the unmasking budget for each step according to our consistency metric. Consequently, our method significantly improves the quality of generation trajectories while accelerating the sampling process. Empirically, our method achieves a simultaneous enhancement in both inference speed and performance across diverse benchmarks on Dream and LLaDA, delivering up to 3.48x speedup alongside 3.91% performance improvement.

  • 10 authors
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Nov 26, 2025

Discrete Diffusion in Large Language and Multimodal Models: A Survey

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 decoding paradigm using full attention and a denoising-based generation strategy. This paradigm naturally enables parallel generation, fine-grained output controllability, and dynamic, response-aware perception. These capabilities are previously difficult to achieve with AR models. Recently, a growing number of industrial-scale proprietary d(M)LLMs, as well as a large number of open-source academic d(M)LLMs, have demonstrated performance comparable to their autoregressive counterparts, while achieving up to 10x acceleration in inference speed. The advancement of discrete diffusion LLMs and MLLMs has been largely driven by progress in two domains. The first is the development of autoregressive LLMs and MLLMs, which has accumulated vast amounts of data, benchmarks, and foundational infrastructure for training and inference. The second contributing domain is the evolution of the mathematical models underlying discrete diffusion. Together, these advancements have catalyzed a surge in dLLMs and dMLLMs research in early 2025. In this work, we present a comprehensive overview of the research in the dLLM and dMLLM domains. We trace the historical development of dLLMs and dMLLMs, formalize the underlying mathematical frameworks, and categorize representative models. We further analyze key techniques for training and inference, and summarize emerging applications across language, vision-language, and biological domains. We conclude by discussing future directions for research and deployment. Paper collection: https://github.com/LiQiiiii/DLLM-Survey

  • 3 authors
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Jun 16, 2025 3

Diffusion Language Models Know the Answer Before Decoding

Diffusion language models (DLMs) have recently emerged as an alternative to autoregressive approaches, offering parallel sequence generation and flexible token orders. However, their inference remains slower than that of autoregressive models, primarily due to the cost of bidirectional attention and the large number of refinement steps required for high quality outputs. In this work, we highlight and leverage an overlooked property of DLMs early answer convergence: in many cases, the correct answer can be internally identified by half steps before the final decoding step, both under semi-autoregressive and random remasking schedules. For example, on GSM8K and MMLU, up to 97% and 99% of instances, respectively, can be decoded correctly using only half of the refinement steps. Building on this observation, we introduce Prophet, a training-free fast decoding paradigm that enables early commit decoding. Specifically, Prophet dynamically decides whether to continue refinement or to go "all-in" (i.e., decode all remaining tokens in one step), using the confidence gap between the top-2 prediction candidates as the criterion. It integrates seamlessly into existing DLM implementations, incurs negligible overhead, and requires no additional training. Empirical evaluations of LLaDA-8B and Dream-7B across multiple tasks show that Prophet reduces the number of decoding steps by up to 3.4x while preserving high generation quality. These results recast DLM decoding as a problem of when to stop sampling, and demonstrate that early decode convergence provides a simple yet powerful mechanism for accelerating DLM inference, complementary to existing speedup techniques. Our code is publicly available at https://github.com/pixeli99/Prophet.

  • 9 authors
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Aug 27, 2025 2

Dynamic Expert Sharing: Decoupling Memory from Parallelism in Mixture-of-Experts Diffusion LLMs

Among parallel decoding paradigms, diffusion large language models (dLLMs) have emerged as a promising candidate that balances generation quality and throughput. However, their integration with Mixture-of-Experts (MoE) architectures is constrained by an expert explosion: as the number of tokens generated in parallel increases, the number of distinct experts activated grows nearly linearly. This results in substantial memory traffic that pushes inference into a memory-bound regime, negating the efficiency gains of both MoE and parallel decoding. To address this challenge, we propose Dynamic Expert Sharing (DES), a novel technique that shifts MoE optimization from token-centric pruning and conventional expert skipping methods to sequence-level coreset selection. To maximize expert reuse, DES identifies a compact, high-utility set of experts to satisfy the requirements of an entire parallel decoding block. We introduce two innovative selection strategies: (1) Intra-Sequence Sharing (DES-Seq), which adapts optimal allocation to the sequence level, and (2) Saliency-Aware Voting (DES-Vote), a novel mechanism that allows tokens to collectively elect a coreset based on aggregated router weights. Extensive experiments on MoE dLLMs demonstrate that DES reduces unique expert activations by over 55% and latency by up to 38%, while retaining 99% of vanilla accuracy, effectively decoupling memory overhead from the degree of parallelism.

  • 9 authors
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Jan 30

Energy-Based Diffusion Language Models for Text Generation

Despite remarkable progress in autoregressive language models, alternative generative paradigms beyond left-to-right generation are still being actively explored. Discrete diffusion models, with the capacity for parallel generation, have recently emerged as a promising alternative. Unfortunately, these models still underperform the autoregressive counterparts, with the performance gap increasing when reducing the number of sampling steps. Our analysis reveals that this degradation is a consequence of an imperfect approximation used by diffusion models. In this work, we propose Energy-based Diffusion Language Model (EDLM), an energy-based model operating at the full sequence level for each diffusion step, introduced to improve the underlying approximation used by diffusion models. More specifically, we introduce an EBM in a residual form, and show that its parameters can be obtained by leveraging a pretrained autoregressive model or by finetuning a bidirectional transformer via noise contrastive estimation. We also propose an efficient generation algorithm via parallel important sampling. Comprehensive experiments on language modeling benchmarks show that our model can consistently outperform state-of-the-art diffusion models by a significant margin, and approaches autoregressive models' perplexity. We further show that, without any generation performance drop, our framework offers a 1.3times sampling speedup over existing diffusion models.

  • 8 authors
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Oct 28, 2024

Unifying Continuous and Discrete Text Diffusion with Non-simultaneous Diffusion Processes

Diffusion models have emerged as a promising approach for text generation, with recent works falling into two main categories: discrete and continuous diffusion models. Discrete diffusion models apply token corruption independently using categorical distributions, allowing for different diffusion progress across tokens but lacking fine-grained control. Continuous diffusion models map tokens to continuous spaces and apply fine-grained noise, but the diffusion progress is uniform across tokens, limiting their ability to capture semantic nuances. To address these limitations, we propose \underline{N}on-simultan\underline{e}ous C\underline{o}ntinuous \underline{Diff}usion Models (NeoDiff), a novel diffusion model that integrates the strengths of both discrete and continuous approaches. NeoDiff introduces a Poisson diffusion process for the forward process, enabling a flexible and fine-grained noising paradigm, and employs a time predictor for the reverse process to adaptively modulate the denoising progress based on token semantics. Furthermore, NeoDiff utilizes an optimized schedule for inference to ensure more precise noise control and improved performance. Our approach unifies the theories of discrete and continuous diffusion models, offering a more principled and effective framework for text generation. Experimental results on several text generation tasks demonstrate NeoDiff's superior performance compared to baselines of non-autoregressive continuous and discrete diffusion models, iterative-based methods and autoregressive diffusion-based methods. These results highlight NeoDiff's potential as a powerful tool for generating high-quality text and advancing the field of diffusion-based text generation.

  • 3 authors
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May 28, 2025

Masked Diffusion Models are Secretly Time-Agnostic Masked Models and Exploit Inaccurate Categorical Sampling

Masked diffusion models (MDMs) have emerged as a popular research topic for generative modeling of discrete data, thanks to their superior performance over other discrete diffusion models, and are rivaling the auto-regressive models (ARMs) for language modeling tasks. The recent effort in simplifying the masked diffusion framework further leads to alignment with continuous-space diffusion models and more principled training and sampling recipes. In this paper, however, we reveal that both training and sampling of MDMs are theoretically free from the time variable, arguably the key signature of diffusion models, and are instead equivalent to masked models. The connection on the sampling aspect is drawn by our proposed first-hitting sampler (FHS). Specifically, we show that the FHS is theoretically equivalent to MDMs' original generation process while significantly alleviating the time-consuming categorical sampling and achieving a 20times speedup. In addition, our investigation raises doubts about whether MDMs can truly beat ARMs. We identify, for the first time, an underlying numerical issue, even with the commonly used 32-bit floating-point precision, which results in inaccurate categorical sampling. We show that the numerical issue lowers the effective temperature both theoretically and empirically, and the resulting decrease in token diversity makes previous evaluations, which assess the generation quality solely through the incomplete generative perplexity metric, somewhat unfair.

  • 6 authors
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Sep 4, 2024

White-Box Diffusion Transformer for single-cell RNA-seq generation

As a powerful tool for characterizing cellular subpopulations and cellular heterogeneity, single cell RNA sequencing (scRNA-seq) technology offers advantages of high throughput and multidimensional analysis. However, the process of data acquisition is often constrained by high cost and limited sample availability. To overcome these limitations, we propose a hybrid model based on Diffusion model and White-Box transformer that aims to generate synthetic and biologically plausible scRNA-seq data. Diffusion model progressively introduce noise into the data and then recover the original data through a denoising process, a forward and reverse process that is particularly suitable for generating complex data distributions. White-Box transformer is a deep learning architecture that emphasizes mathematical interpretability. By minimizing the encoding rate of the data and maximizing the sparsity of the representation, it not only reduces the computational burden, but also provides clear insight into underlying structure. Our White-Box Diffusion Transformer combines the generative capabilities of Diffusion model with the mathematical interpretability of White-Box transformer. Through experiments using six different single-cell RNA-Seq datasets, we visualize both generated and real data using t-SNE dimensionality reduction technique, as well as quantify similarity between generated and real data using various metrics to demonstrate comparable performance of White-Box Diffusion Transformer and Diffusion Transformer in generating scRNA-seq data alongside significant improvements in training efficiency and resource utilization. Our code is available at https://github.com/lingximamo/White-Box-Diffusion-Transformer

  • 3 authors
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Nov 11, 2024

Generating Novel, Designable, and Diverse Protein Structures by Equivariantly Diffusing Oriented Residue Clouds

Proteins power a vast array of functional processes in living cells. The capability to create new proteins with designed structures and functions would thus enable the engineering of cellular behavior and development of protein-based therapeutics and materials. Structure-based protein design aims to find structures that are designable (can be realized by a protein sequence), novel (have dissimilar geometry from natural proteins), and diverse (span a wide range of geometries). While advances in protein structure prediction have made it possible to predict structures of novel protein sequences, the combinatorially large space of sequences and structures limits the practicality of search-based methods. Generative models provide a compelling alternative, by implicitly learning the low-dimensional structure of complex data distributions. Here, we leverage recent advances in denoising diffusion probabilistic models and equivariant neural networks to develop Genie, a generative model of protein structures that performs discrete-time diffusion using a cloud of oriented reference frames in 3D space. Through in silico evaluations, we demonstrate that Genie generates protein backbones that are more designable, novel, and diverse than existing models. This indicates that Genie is capturing key aspects of the distribution of protein structure space and facilitates protein design with high success rates. Code for generating new proteins and training new versions of Genie is available at https://github.com/aqlaboratory/genie.

  • 2 authors
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Jan 29, 2023

R^2-dLLM: Accelerating Diffusion Large Language Models via Spatio-Temporal Redundancy Reduction

Diffusion Large Language Models (dLLMs) have emerged as a promising alternative to autoregressive generation by enabling parallel token prediction. However, practical dLLM decoding still suffers from high inference latency, which limits deployment. In this work, we observe that a substantial part of this inefficiency comes from recurring redundancy in the decoding process, including spatial redundancy caused by confidence clusters and positional ambiguity, and temporal redundancy caused by repeatedly remasking predictions that have already stabilized. Motivated by these patterns, we propose R^{2}-dLLM, a unified framework for reducing decoding redundancy from both inference and training perspectives. At inference time, we introduce training-free decoding rules that aggregate local confidence and token predictions, and finalize temporally stable tokens to avoid redundant decoding steps. We further propose a redundancy-aware supervised fine-tuning pipeline that aligns the model with efficient decoding trajectories and reduces reliance on manually tuned thresholds. Experiments demonstrate that R^{2}-dLLM consistently reduces the number of decoding steps by up to 88\% compared to existing decoding strategies, while maintaining competitive generation quality across different models and tasks. These results validate that decoding redundancy is a central bottleneck in dLLMs, and that explicitly reducing it yields substantial practical efficiency gains. Our code and models are available at https://github.com/GATECH-EIC/R2-dLLM.

  • 9 authors
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Jun 1

Accelerating Diffusion LLM Inference via Local Determinism Propagation

Diffusion large language models (dLLMs) represent a significant advancement in text generation, offering parallel token decoding capabilities. However, existing open-source implementations suffer from quality-speed trade-offs that impede their practical deployment. Conservative sampling strategies typically decode only the most confident token per step to ensure quality (i.e., greedy decoding), at the cost of inference efficiency due to repeated redundant refinement iterations--a phenomenon we term delayed decoding. Through systematic analysis of dLLM decoding dynamics, we characterize this delayed decoding behavior and propose a training-free adaptive parallel decoding strategy, named LocalLeap, to address these inefficiencies. LocalLeap is built on two fundamental empirical principles: local determinism propagation centered on high-confidence anchors and progressive spatial consistency decay. By applying these principles, LocalLeap identifies anchors and performs localized relaxed parallel decoding within bounded neighborhoods, achieving substantial inference step reduction through early commitment of already-determined tokens without compromising output quality. Comprehensive evaluation on various benchmarks demonstrates that LocalLeap achieves 6.94times throughput improvements and reduces decoding steps to just 14.2\% of the original requirement, achieving these gains with negligible performance impact. The source codes are available at: https://github.com/friedrichor/LocalLeap.

  • 7 authors
·
Oct 8, 2025

Accelerating Diffusion Decoders via Multi-Scale Sampling and One-Step Distillation

Image tokenization plays a central role in modern generative modeling by mapping visual inputs into compact representations that serve as an intermediate signal between pixels and generative models. Diffusion-based decoders have recently been adopted in image tokenization to reconstruct images from latent representations with high perceptual fidelity. In contrast to diffusion models used for downstream generation, these decoders are dedicated to faithful reconstruction rather than content generation. However, their iterative sampling process introduces significant latency, making them impractical for real-time or large-scale applications. In this work, we introduce a two-stage acceleration framework to address this inefficiency. First, we propose a multi-scale sampling strategy, where decoding begins at a coarse resolution and progressively refines the output by doubling the resolution at each stage, achieving a theoretical speedup of O(log n) compared to standard full-resolution sampling. Second, we distill the diffusion decoder at each scale into a single-step denoising model, enabling fast and high-quality reconstructions in a single forward pass per scale. Together, these techniques yield an order-of-magnitude reduction in decoding time with little degradation in output quality. Our approach provides a practical pathway toward efficient yet expressive image tokenizers. We hope it serves as a foundation for future work in efficient visual tokenization and downstream generation.

  • 2 authors
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Mar 19