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Dec 8

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
·
Sep 4, 2024

Refine Drugs, Don't Complete Them: Uniform-Source Discrete Flows for Fragment-Based Drug Discovery

We introduce InVirtuoGen, a discrete flow generative model for fragmented SMILES for de novo and fragment-constrained generation, and target-property/lead optimization of small molecules. The model learns to transform a uniform source over all possible tokens into the data distribution. Unlike masked models, its training loss accounts for predictions on all sequence positions at every denoising step, shifting the generation paradigm from completion to refinement, and decoupling the number of sampling steps from the sequence length. For de novo generation, InVirtuoGen achieves a stronger quality-diversity pareto frontier than prior fragment-based models and competitive performance on fragment-constrained tasks. For property and lead optimization, we propose a hybrid scheme that combines a genetic algorithm with a Proximal Property Optimization fine-tuning strategy adapted to discrete flows. Our approach sets a new state-of-the-art on the Practical Molecular Optimization benchmark, measured by top-10 AUC across tasks, and yields higher docking scores in lead optimization than previous baselines. InVirtuoGen thus establishes a versatile generative foundation for drug discovery, from early hit finding to multi-objective lead optimization. We further contribute to open science by releasing pretrained checkpoints and code, making our results fully reproduciblehttps://github.com/invirtuolabs/InVirtuoGen_results.

  • 4 authors
·
Sep 30

Mogo: RQ Hierarchical Causal Transformer for High-Quality 3D Human Motion Generation

In the field of text-to-motion generation, Bert-type Masked Models (MoMask, MMM) currently produce higher-quality outputs compared to GPT-type autoregressive models (T2M-GPT). However, these Bert-type models often lack the streaming output capability required for applications in video game and multimedia environments, a feature inherent to GPT-type models. Additionally, they demonstrate weaker performance in out-of-distribution generation. To surpass the quality of BERT-type models while leveraging a GPT-type structure, without adding extra refinement models that complicate scaling data, we propose a novel architecture, Mogo (Motion Only Generate Once), which generates high-quality lifelike 3D human motions by training a single transformer model. Mogo consists of only two main components: 1) RVQ-VAE, a hierarchical residual vector quantization variational autoencoder, which discretizes continuous motion sequences with high precision; 2) Hierarchical Causal Transformer, responsible for generating the base motion sequences in an autoregressive manner while simultaneously inferring residuals across different layers. Experimental results demonstrate that Mogo can generate continuous and cyclic motion sequences up to 260 frames (13 seconds), surpassing the 196 frames (10 seconds) length limitation of existing datasets like HumanML3D. On the HumanML3D test set, Mogo achieves a FID score of 0.079, outperforming both the GPT-type model T2M-GPT (FID = 0.116), AttT2M (FID = 0.112) and the BERT-type model MMM (FID = 0.080). Furthermore, our model achieves the best quantitative performance in out-of-distribution generation.

  • 1 authors
·
Dec 5, 2024 2

Scaling up Masked Diffusion Models on Text

Masked diffusion models (MDMs) have shown promise in language modeling, yet their scalability and effectiveness in core language tasks, such as text generation and language understanding, remain underexplored. This paper establishes the first scaling law for MDMs, demonstrating a scaling rate comparable to autoregressive models (ARMs) and a relatively small compute gap. Motivated by their scalability, we train a family of MDMs with up to 1.1 billion (B) parameters to systematically evaluate their performance against ARMs of comparable or larger sizes. Fully leveraging the probabilistic formulation of MDMs, we propose a simple yet effective unsupervised classifier-free guidance that effectively exploits large-scale unpaired data, boosting performance for conditional inference. In language understanding, the 1.1B MDM outperforms the 1.1B TinyLlama model trained on the same data across four of eight zero-shot benchmarks. Notably, it achieves competitive math reasoning ability with the 7B Llama-2 model on the GSM8K dataset. In text generation, MDMs with 16 times more pre-training time offer a flexible trade-off against ARMs with the accelerated sampling technique KV-Cache: MDMs match ARMs in performance while being 1.4 times faster during sampling. Moreover, MDMs address challenging tasks for ARMs by effectively handling bidirectional reasoning and adapting to temporal shifts in data. Notably, a 1.1B MDM breaks the reverse curse encountered by much larger ARMs with significantly more data and computation, such as 13B Llama-2 and 175B GPT-3. Our code is available at https://github.com/ML-GSAI/SMDM.

  • 8 authors
·
Oct 24, 2024

Hierarchical Masked Autoregressive Models with Low-Resolution Token Pivots

Autoregressive models have emerged as a powerful generative paradigm for visual generation. The current de-facto standard of next token prediction commonly operates over a single-scale sequence of dense image tokens, and is incapable of utilizing global context especially for early tokens prediction. In this paper, we introduce a new autoregressive design to model a hierarchy from a few low-resolution image tokens to the typical dense image tokens, and delve into a thorough hierarchical dependency across multi-scale image tokens. Technically, we present a Hierarchical Masked Autoregressive models (Hi-MAR) that pivot on low-resolution image tokens to trigger hierarchical autoregressive modeling in a multi-phase manner. Hi-MAR learns to predict a few image tokens in low resolution, functioning as intermediary pivots to reflect global structure, in the first phase. Such pivots act as the additional guidance to strengthen the next autoregressive modeling phase by shaping global structural awareness of typical dense image tokens. A new Diffusion Transformer head is further devised to amplify the global context among all tokens for mask token prediction. Extensive evaluations on both class-conditional and text-to-image generation tasks demonstrate that Hi-MAR outperforms typical AR baselines, while requiring fewer computational costs. Code is available at https://github.com/HiDream-ai/himar.

  • 7 authors
·
May 26

Fast, Effective, and Self-Supervised: Transforming Masked Language Models into Universal Lexical and Sentence Encoders

Pretrained Masked Language Models (MLMs) have revolutionised NLP in recent years. However, previous work has indicated that off-the-shelf MLMs are not effective as universal lexical or sentence encoders without further task-specific fine-tuning on NLI, sentence similarity, or paraphrasing tasks using annotated task data. In this work, we demonstrate that it is possible to turn MLMs into effective universal lexical and sentence encoders even without any additional data and without any supervision. We propose an extremely simple, fast and effective contrastive learning technique, termed Mirror-BERT, which converts MLMs (e.g., BERT and RoBERTa) into such encoders in 20-30 seconds without any additional external knowledge. Mirror-BERT relies on fully identical or slightly modified string pairs as positive (i.e., synonymous) fine-tuning examples, and aims to maximise their similarity during identity fine-tuning. We report huge gains over off-the-shelf MLMs with Mirror-BERT in both lexical-level and sentence-level tasks, across different domains and different languages. Notably, in the standard sentence semantic similarity (STS) tasks, our self-supervised Mirror-BERT model even matches the performance of the task-tuned Sentence-BERT models from prior work. Finally, we delve deeper into the inner workings of MLMs, and suggest some evidence on why this simple approach can yield effective universal lexical and sentence encoders.

  • 4 authors
·
Apr 16, 2021

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 3

It's All in The [MASK]: Simple Instruction-Tuning Enables BERT-like Masked Language Models As Generative Classifiers

While encoder-only models such as BERT and ModernBERT are ubiquitous in real-world NLP applications, their conventional reliance on task-specific classification heads can limit their applicability compared to decoder-based large language models (LLMs). In this work, we introduce ModernBERT-Large-Instruct, a 0.4B-parameter encoder model that leverages its masked language modelling (MLM) head for generative classification. Our approach employs an intentionally simple training loop and inference mechanism that requires no heavy pre-processing, heavily engineered prompting, or architectural modifications. ModernBERT-Large-Instruct exhibits strong zero-shot performance on both classification and knowledge-based tasks, outperforming similarly sized LLMs on MMLU and achieving 93% of Llama3-1B's MMLU performance with 60% less parameters. We also demonstrate that, when fine-tuned, the generative approach using the MLM head matches or even surpasses traditional classification-head methods across diverse NLU tasks.This capability emerges specifically in models trained on contemporary, diverse data mixes, with models trained on lower volume, less-diverse data yielding considerably weaker performance. Although preliminary, these results demonstrate the potential of using the original generative masked language modelling head over traditional task-specific heads for downstream tasks. Our work suggests that further exploration into this area is warranted, highlighting many avenues for future improvements.

  • 3 authors
·
Feb 6

Insertion Language Models: Sequence Generation with Arbitrary-Position Insertions

Autoregressive models (ARMs), which predict subsequent tokens one-by-one ``from left to right,'' have achieved significant success across a wide range of sequence generation tasks. However, they struggle to accurately represent sequences that require satisfying sophisticated constraints or whose sequential dependencies are better addressed by out-of-order generation. Masked Diffusion Models (MDMs) address some of these limitations, but the process of unmasking multiple tokens simultaneously in MDMs can introduce incoherences, and MDMs cannot handle arbitrary infilling constraints when the number of tokens to be filled in is not known in advance. In this work, we introduce Insertion Language Models (ILMs), which learn to insert tokens at arbitrary positions in a sequence -- that is, they select jointly both the position and the vocabulary element to be inserted. By inserting tokens one at a time, ILMs can represent strong dependencies between tokens, and their ability to generate sequences in arbitrary order allows them to accurately model sequences where token dependencies do not follow a left-to-right sequential structure. To train ILMs, we propose a tailored network parameterization and use a simple denoising objective. Our empirical evaluation demonstrates that ILMs outperform both ARMs and MDMs on common planning tasks. Furthermore, we show that ILMs outperform MDMs and perform on par with ARMs in an unconditional text generation task while offering greater flexibility than MDMs in arbitrary-length text infilling.

  • 6 authors
·
May 8

Plug-and-Play Context Feature Reuse for Efficient Masked Generation

Masked generative models (MGMs) have emerged as a powerful framework for image synthesis, combining parallel decoding with strong bidirectional context modeling. However, generating high-quality samples typically requires many iterative decoding steps, resulting in high inference costs. A straightforward way to speed up generation is by decoding more tokens in each step, thereby reducing the total number of steps. However, when many tokens are decoded simultaneously, the model can only estimate the univariate marginal distributions independently, failing to capture the dependency among them. As a result, reducing the number of steps significantly compromises generation fidelity. In this work, we introduce ReCAP (Reused Context-Aware Prediction), a plug-and-play module that accelerates inference in MGMs by constructing low-cost steps via reusing feature embeddings from previously decoded context tokens. ReCAP interleaves standard full evaluations with lightweight steps that cache and reuse context features, substantially reducing computation while preserving the benefits of fine-grained, iterative generation. We demonstrate its effectiveness on top of three representative MGMs (MaskGIT, MAGE, and MAR), including both discrete and continuous token spaces and covering diverse architectural designs. In particular, on ImageNet256 class-conditional generation, ReCAP achieves up to 2.4x faster inference than the base model with minimal performance drop, and consistently delivers better efficiency-fidelity trade-offs under various generation settings.

  • 4 authors
·
May 25

CM3: A Causal Masked Multimodal Model of the Internet

We introduce CM3, a family of causally masked generative models trained over a large corpus of structured multi-modal documents that can contain both text and image tokens. Our new causally masked approach generates tokens left to right while also masking out a small number of long token spans that are generated at the end of the string, instead of their original positions. The casual masking object provides a type of hybrid of the more common causal and masked language models, by enabling full generative modeling while also providing bidirectional context when generating the masked spans. We train causally masked language-image models on large-scale web and Wikipedia articles, where each document contains all of the text, hypertext markup, hyperlinks, and image tokens (from a VQVAE-GAN), provided in the order they appear in the original HTML source (before masking). The resulting CM3 models can generate rich structured, multi-modal outputs while conditioning on arbitrary masked document contexts, and thereby implicitly learn a wide range of text, image, and cross modal tasks. They can be prompted to recover, in a zero-shot fashion, the functionality of models such as DALL-E, GENRE, and HTLM. We set the new state-of-the-art in zero-shot summarization, entity linking, and entity disambiguation while maintaining competitive performance in the fine-tuning setting. We can generate images unconditionally, conditioned on text (like DALL-E) and do captioning all in a zero-shot setting with a single model.

  • 11 authors
·
Jan 19, 2022

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 2

Lessons learned from the evaluation of Spanish Language Models

Given the impact of language models on the field of Natural Language Processing, a number of Spanish encoder-only masked language models (aka BERTs) have been trained and released. These models were developed either within large projects using very large private corpora or by means of smaller scale academic efforts leveraging freely available data. In this paper we present a comprehensive head-to-head comparison of language models for Spanish with the following results: (i) Previously ignored multilingual models from large companies fare better than monolingual models, substantially changing the evaluation landscape of language models in Spanish; (ii) Results across the monolingual models are not conclusive, with supposedly smaller and inferior models performing competitively. Based on these empirical results, we argue for the need of more research to understand the factors underlying them. In this sense, the effect of corpus size, quality and pre-training techniques need to be further investigated to be able to obtain Spanish monolingual models significantly better than the multilingual ones released by large private companies, specially in the face of rapid ongoing progress in the field. The recent activity in the development of language technology for Spanish is to be welcomed, but our results show that building language models remains an open, resource-heavy problem which requires to marry resources (monetary and/or computational) with the best research expertise and practice.

  • 2 authors
·
Dec 16, 2022

Uni$\textbf{F}^2$ace: Fine-grained Face Understanding and Generation with Unified Multimodal Models

Unified multimodal models (UMMs) have emerged as a powerful paradigm in foundational computer vision research, demonstrating significant potential in both image understanding and generation. However, existing research in the face domain primarily focuses on coarse facial attribute understanding, with limited capacity to handle fine-grained facial attributes and without addressing generation capabilities. To overcome these limitations, we propose UniF^2ace, the first UMM tailored specifically for fine-grained face understanding and generation. In general, we train UniF^2ace on a self-constructed, specialized dataset utilizing two mutually beneficial diffusion techniques and a two-level mixture-of-experts architecture. Specifically, we first build a large-scale facial dataset, UniF^2ace-130K, which contains 130K image-text pairs with one million question-answering pairs that span a wide range of facial attributes. Second, we establish a theoretical connection between discrete diffusion score matching and masked generative models, optimizing both evidence lower bounds simultaneously, which significantly improves the model's ability to synthesize facial details. Finally, we introduce both token-level and sequence-level mixture-of-experts, enabling efficient fine-grained representation learning for both understanding and generation tasks. Extensive experiments on UniF^2ace-130K demonstrate that UniF^2ace outperforms existing UMMs and generative models, achieving superior performance across both understanding and generation tasks.

  • 8 authors
·
Mar 11 3

Making the Most of your Model: Methods for Finetuning and Applying Pretrained Transformers

This thesis provides methods and analysis of models which make progress on this goal. The techniques outlined are task agnostic, and should provide benefit when used with nearly any transformer LM. We introduce two new finetuning methods which add new capabilities to the models they are used on. The first adds a recurrence mechanism, which removes the fixed-window sized constraint and improves the efficiency of a transformer decoder. The second allows masked language models (MLMs) to be used for initialization of both the encoder and decoder of a non-autoregressive sequence-to-sequence transformer, opening up generative applications of models which were previously only used for natural language understanding tasks. We also introduce two new techniques for improving the quality of predictions of any transformer decoder without additional finetuning. One, hidden state optimization, can be applied to any transformer decoder to improve the quality of predictions at inference time, especially for few-shot classification. The other, conditional beam search, allows practitioners to search for natural language generation (NLG) model outputs with high likelihood while conditioning on the event that the output is not degenerate (e.g. empty, repetitive, etc.). Finally, we provide theoretical and empirical insights on the divergence of model-likelihood and output quality which has widely been observed in prior work. These insights apply to any model which represents a distribution over text, and apply to language models which are not transformers or even autoregressive. We argue that the NLP community has, to some extent, misunderstood the implications of these findings, and encourage a point of view which has more nuance.

  • 1 authors
·
Aug 28, 2024

SDAR: A Synergistic Diffusion-AutoRegression Paradigm for Scalable Sequence Generation

We propose SDAR, a Synergistic Diffusion-Autoregression paradigm that unifies the training efficiency of autoregressive models with the parallel inference capability of diffusion. Instead of costly end-to-end diffusion training, SDAR performs a lightweight paradigm conversion that transforms a well-trained autoregressive (AR) model into a blockwise diffusion model through brief, data-efficient adaptation. During inference, SDAR generates sequences autoregressively across blocks for global coherence while decoding all tokens within each block in parallel via a discrete diffusion process. Extensive experiments show that AR models remain substantially more compute-efficient than masked diffusion models, providing a strong foundation for adaptation. Building on this insight, SDAR achieves efficient AR-to-diffusion conversion with minimal cost, preserving AR-level performance while enabling parallel generation. Scaling studies across dense and Mixture-of-Experts architectures confirm that SDAR scales without compromise: larger models exhibit stronger robustness to block size and decoding thresholds, yielding greater speedups without accuracy loss. Beyond efficiency, SDAR demonstrates enhanced reasoning and domain adaptability. Our 30B MoE model surpasses its AR counterpart on challenging scientific reasoning benchmarks such as GPQA and ChemBench, and gains further improvements under test-time scaling methods like majority voting and pass@k. Together, these results establish SDAR as a practical paradigm that combines the strengths of autoregression and diffusion for scalable, high-throughput reasoning.

  • 11 authors
·
Oct 7

A Survey on Latent Reasoning

Large Language Models (LLMs) have demonstrated impressive reasoning capabilities, especially when guided by explicit chain-of-thought (CoT) reasoning that verbalizes intermediate steps. While CoT improves both interpretability and accuracy, its dependence on natural language reasoning limits the model's expressive bandwidth. Latent reasoning tackles this bottleneck by performing multi-step inference entirely in the model's continuous hidden state, eliminating token-level supervision. To advance latent reasoning research, this survey provides a comprehensive overview of the emerging field of latent reasoning. We begin by examining the foundational role of neural network layers as the computational substrate for reasoning, highlighting how hierarchical representations support complex transformations. Next, we explore diverse latent reasoning methodologies, including activation-based recurrence, hidden state propagation, and fine-tuning strategies that compress or internalize explicit reasoning traces. Finally, we discuss advanced paradigms such as infinite-depth latent reasoning via masked diffusion models, which enable globally consistent and reversible reasoning processes. By unifying these perspectives, we aim to clarify the conceptual landscape of latent reasoning and chart future directions for research at the frontier of LLM cognition. An associated GitHub repository collecting the latest papers and repos is available at: https://github.com/multimodal-art-projection/LatentCoT-Horizon/.