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Jun 9

LangFlow: Continuous Diffusion Rivals Discrete in Language Modeling

Continuous diffusion has been the foundation of high-fidelity, controllable, and few-step generation of many data modalities such as images. However, in language modeling, prior continuous diffusion language models (DLMs) lag behind discrete counterparts due to the sparse data space and the underexplored design space. In this work, we close this gap with LangFlow, the first continuous DLM to rival discrete diffusion, by connecting embedding-space DLMs to Flow Matching via Bregman divergence, alongside three key innovations: (1) we derive a novel ODE-based NLL bound for principled evaluation of continuous flow-based language models; (2) we propose an information-uniform principle for setting the noise schedule, which motivates a learnable noise scheduler based on a Gumbel distribution; and (3) we revise prior training protocols by incorporating self-conditioning, as we find it improves both likelihood and sample quality of embedding-space DLMs with effects substantially different from discrete diffusion. Putting everything together, LangFlow rivals top discrete DLMs on both the perplexity (PPL) and the generative perplexity (Gen. PPL), reaching a PPL of 30.0 on LM1B and 24.6 on OpenWebText. It even exceeds autoregressive baselines in zero-shot transfer on 4 out of 7 benchmarks. LangFlow provides the first clear evidence that continuous diffusion is a promising paradigm for language modeling. Homepage: https://github.com/nealchen2003/LangFlow

Sparse Concept Bottleneck Models: Gumbel Tricks in Contrastive Learning

We propose a novel architecture and method of explainable classification with Concept Bottleneck Models (CBMs). While SOTA approaches to Image Classification task work as a black box, there is a growing demand for models that would provide interpreted results. Such a models often learn to predict the distribution over class labels using additional description of this target instances, called concepts. However, existing Bottleneck methods have a number of limitations: their accuracy is lower than that of a standard model and CBMs require an additional set of concepts to leverage. We provide a framework for creating Concept Bottleneck Model from pre-trained multi-modal encoder and new CLIP-like architectures. By introducing a new type of layers known as Concept Bottleneck Layers, we outline three methods for training them: with ell_1-loss, contrastive loss and loss function based on Gumbel-Softmax distribution (Sparse-CBM), while final FC layer is still trained with Cross-Entropy. We show a significant increase in accuracy using sparse hidden layers in CLIP-based bottleneck models. Which means that sparse representation of concepts activation vector is meaningful in Concept Bottleneck Models. Moreover, with our Concept Matrix Search algorithm we can improve CLIP predictions on complex datasets without any additional training or fine-tuning. The code is available at: https://github.com/Andron00e/SparseCBM.

  • 4 authors
·
Apr 4, 2024

MaskLLM: Learnable Semi-Structured Sparsity for Large Language Models

Large Language Models (LLMs) are distinguished by their massive parameter counts, which typically result in significant redundancy. This work introduces MaskLLM, a learnable pruning method that establishes Semi-structured (or ``N:M'') Sparsity in LLMs, aimed at reducing computational overhead during inference. Instead of developing a new importance criterion, MaskLLM explicitly models N:M patterns as a learnable distribution through Gumbel Softmax sampling. This approach facilitates end-to-end training on large-scale datasets and offers two notable advantages: 1) High-quality Masks - our method effectively scales to large datasets and learns accurate masks; 2) Transferability - the probabilistic modeling of mask distribution enables the transfer learning of sparsity across domains or tasks. We assessed MaskLLM using 2:4 sparsity on various LLMs, including LLaMA-2, Nemotron-4, and GPT-3, with sizes ranging from 843M to 15B parameters, and our empirical results show substantial improvements over state-of-the-art methods. For instance, leading approaches achieve a perplexity (PPL) of 10 or greater on Wikitext compared to the dense model's 5.12 PPL, but MaskLLM achieves a significantly lower 6.72 PPL solely by learning the masks with frozen weights. Furthermore, MaskLLM's learnable nature allows customized masks for lossless application of 2:4 sparsity to downstream tasks or domains. Code is available at https://github.com/NVlabs/MaskLLM.

  • 8 authors
·
Sep 25, 2024 3

Gumbel-Softmax Flow Matching with Straight-Through Guidance for Controllable Biological Sequence Generation

Flow matching in the continuous simplex has emerged as a promising strategy for DNA sequence design, but struggles to scale to higher simplex dimensions required for peptide and protein generation. We introduce Gumbel-Softmax Flow and Score Matching, a generative framework on the simplex based on a novel Gumbel-Softmax interpolant with a time-dependent temperature. Using this interpolant, we introduce Gumbel-Softmax Flow Matching by deriving a parameterized velocity field that transports from smooth categorical distributions to distributions concentrated at a single vertex of the simplex. We alternatively present Gumbel-Softmax Score Matching which learns to regress the gradient of the probability density. Our framework enables high-quality, diverse generation and scales efficiently to higher-dimensional simplices. To enable training-free guidance, we propose Straight-Through Guided Flows (STGFlow), a classifier-based guidance method that leverages straight-through estimators to steer the unconditional velocity field toward optimal vertices of the simplex. STGFlow enables efficient inference-time guidance using classifiers pre-trained on clean sequences, and can be used with any discrete flow method. Together, these components form a robust framework for controllable de novo sequence generation. We demonstrate state-of-the-art performance in conditional DNA promoter design, sequence-only protein generation, and target-binding peptide design for rare disease treatment.

  • 4 authors
·
Mar 21, 2025 3

DiffusionAttacker: Diffusion-Driven Prompt Manipulation for LLM Jailbreak

Large Language Models (LLMs) are susceptible to generating harmful content when prompted with carefully crafted inputs, a vulnerability known as LLM jailbreaking. As LLMs become more powerful, studying jailbreak methods is critical to enhancing security and aligning models with human values. Traditionally, jailbreak techniques have relied on suffix addition or prompt templates, but these methods suffer from limited attack diversity. This paper introduces DiffusionAttacker, an end-to-end generative approach for jailbreak rewriting inspired by diffusion models. Our method employs a sequence-to-sequence (seq2seq) text diffusion model as a generator, conditioning on the original prompt and guiding the denoising process with a novel attack loss. Unlike previous approaches that use autoregressive LLMs to generate jailbreak prompts, which limit the modification of already generated tokens and restrict the rewriting space, DiffusionAttacker utilizes a seq2seq diffusion model, allowing more flexible token modifications. This approach preserves the semantic content of the original prompt while producing harmful content. Additionally, we leverage the Gumbel-Softmax technique to make the sampling process from the diffusion model's output distribution differentiable, eliminating the need for iterative token search. Extensive experiments on Advbench and Harmbench demonstrate that DiffusionAttacker outperforms previous methods across various evaluation metrics, including attack success rate (ASR), fluency, and diversity.

  • 7 authors
·
Dec 23, 2024

A Two-Parameter Weibull Framework for Diagnosing Transformer Weight Distributions

We apply the Weibull distribution -- a two-parameter family from extreme-value theory -- as a diagnostic framework for element-wise weight magnitude distributions in transformers. At initialization, i.i.d. Gaussian weights give |w| ~ HalfNormal, yielding k ~ 1.20 via middle-80% probability-plot fit (the protocol used throughout this work). This anchor makes k a principled, architecture-independent measuring stick for training dynamics; fitting each weight matrix independently at every layer at every checkpoint enables per-component, per-layer, and per-step diagnostics that aggregate statistics cannot resolve. Applying this framework to 12 model entries spanning 7 architectural families (Pythia, OLMo-1/2, LLaMA-3, Mistral, Qwen2.5/3) reveals three findings. First, FFN modules and the attention output projection W_o -- the Transmission Class -- fall in a narrow k band: median terminal k in [1.186, 1.204] across 12 entries (cross-family CV = 0.51%), shared across SwiGLU/GeLU activations, Pre-LN/QK-Norm placements, and 70M-14B sizes. Second, the attention input projections W_q, W_k -- the Selection Class -- depart from the Weibull family, with severity shaped by storage: separately-stored Q/K (OLMo-1, OLMo-2) yields k in [0.76, 0.99] (deep); GQA models yield k in [1.10, 1.16] (mild); Pythia's merged W_qkv occupies a transitional zone tracking training budget T/tau monotonically. Third, lambda grows substantially during training and scales with sqrt(eta/lambda_wd) within the Pythia family (Pearson r = 0.94, three Transmission kinds), directionally consistent with Fan et al. (2025). The two parameters carry independent information: k labels the functional class, lambda labels training progress. We release npm-weibull-py v0.4 (Python library) and DATABASE_v9_1 at https://github.com/tiexinding/NPM-Weibull-public .

  • 1 authors
·
May 16

Predicting integers from continuous parameters

We study the problem of predicting numeric labels that are constrained to the integers or to a subrange of the integers. For example, the number of up-votes on social media posts, or the number of bicycles available at a public rental station. While it is possible to model these as continuous values, and to apply traditional regression, this approach changes the underlying distribution on the labels from discrete to continuous. Discrete distributions have certain benefits, which leads us to the question whether such integer labels can be modeled directly by a discrete distribution, whose parameters are predicted from the features of a given instance. Moreover, we focus on the use case of output distributions of neural networks, which adds the requirement that the parameters of the distribution be continuous so that backpropagation and gradient descent may be used to learn the weights of the network. We investigate several options for such distributions, some existing and some novel, and test them on a range of tasks, including tabular learning, sequential prediction and image generation. We find that overall the best performance comes from two distributions: Bitwise, which represents the target integer in bits and places a Bernoulli distribution on each, and a discrete analogue of the Laplace distribution, which uses a distribution with exponentially decaying tails around a continuous mean.

GSQ: Highly-Accurate Low-Precision Scalar Quantization for LLMs via Gumbel-Softmax Sampling

Weight quantization has become a standard tool for efficient LLM deployment, especially for local inference, where models are now routinely served at 2-3 bits per parameter. The state of the art is currently split into two sets of methods: simple scalar quantization techniques, such as GPTQ or AWQ, which are widely deployed but plateau in accuracy at 3-4 bits per parameter (bpp), and "second-generation" vector- or trellis-quantized methods, such as QTIP, GPTVQ and AQLM, which push the accuracy frontier at low bit-widths but are notoriously hard to implement and to scale, and have gained relatively less traction. In this paper, we ask whether this gap is fundamental, or whether a carefully optimized scalar quantizer can recover most of it. We answer in the affirmative, by introducing GSQ (Gumbel-Softmax Quantization), a post-training scalar quantization method which jointly learns the per-coordinate grid assignments and the per-group scales using a Gumbel-Softmax relaxation of the discrete grid. GSQ matches the cardinality of the relaxation to the small number of levels available in the target bit-width regime (e.g., 3-8 levels for ternary and 3 bpp, respectively), making the relaxation tight and the optimization tractable. Practically, on the standard Llama-3.1-8B/70B-Instruct models, GSQ closes most of the gap between scalar quantization and the QTIP frontier at 2 and 3 bits, while using a symmetric scalar grid with group-wise quantization, and thus fully compatible with existing scalar inference kernels. We further show that GSQ scales to trillion-scale Mixture-of-Experts models such as Kimi-K2.5, where vector-quantized methods are difficult to apply.

Von Mises Mixture Distributions for Molecular Conformation Generation

Molecules are frequently represented as graphs, but the underlying 3D molecular geometry (the locations of the atoms) ultimately determines most molecular properties. However, most molecules are not static and at room temperature adopt a wide variety of geometries or conformations. The resulting distribution on geometries p(x) is known as the Boltzmann distribution, and many molecular properties are expectations computed under this distribution. Generating accurate samples from the Boltzmann distribution is therefore essential for computing these expectations accurately. Traditional sampling-based methods are computationally expensive, and most recent machine learning-based methods have focused on identifying modes in this distribution rather than generating true samples. Generating such samples requires capturing conformational variability, and it has been widely recognized that the majority of conformational variability in molecules arises from rotatable bonds. In this work, we present VonMisesNet, a new graph neural network that captures conformational variability via a variational approximation of rotatable bond torsion angles as a mixture of von Mises distributions. We demonstrate that VonMisesNet can generate conformations for arbitrary molecules in a way that is both physically accurate with respect to the Boltzmann distribution and orders of magnitude faster than existing sampling methods.

  • 3 authors
·
Jun 12, 2023

A likelihood approach to nonparametric estimation of a singular distribution using deep generative models

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

  • 4 authors
·
May 9, 2021