论文检索

Deep Learning · Generative Models and Autoencoders

Yoann Boget

Discrete Diffusion and Flow Matching models have significantly advanced generative modeling for discrete structures, including graphs. However, the dependencies of the noisy distributions across time of these models lead to error accumulation and propagation during the reverse denoising process—a phenomenon known as \emph{compounding denoising errors}. To address this problem, we propose a novel framework called \emph{Simple Iterative Denoising}, which simplifies discrete diffusion and circumvents the issue by removing dependencies on previous intermediate states in the noising process. Additionally, we enhance our model by incorporating a \emph{Critic}, which during generation selectively retains or corrupts elements in an instance based on their likelihood under the data distribution. Our empirical evaluations demonstrate that the proposed method significantly outperforms existing discrete diffusion baselines in graph generation tasks.

Deep Learning · Generative Models and Autoencoders

Zhonglin Cao, Mario Geiger, Allan Costa, Danny Reidenbach, Karsten Kreis, Tomas Geffner, Franco Pellegrini, Guoqing Zhou, Emine Kucukbenli

Fast and accurate generation of molecular conformers is desired for downstream computational chemistry and drug discovery tasks. Currently, training and sampling state-of-the-art diffusion or flow-based models for conformer generation require significant computational resources. In this work, we build upon flow-matching and propose two mechanisms for accelerating training and inference of generative models for 3D molecular conformer generation. For fast training, we introduce the SO(3)-*Averaged Flow* training objective, which leads to faster convergence to better generation quality compared to conditional optimal transport flow or Kabsch-aligned flow. We demonstrate that models trained using SO(3)-*Averaged Flow* can reach state-of-the-art conformer generation quality. For fast inference, we show that the reflow and distillation methods of flow-based models enable few-steps or even one-step molecular conformer generation with high quality. The training techniques proposed in this work show a path towards highly efficient molecular conformer generation with flow-based models.

Social Aspects · Accountability, Transparency, and Interpretability

Bartosz Cywiński, Kamil Deja

Diffusion models, while powerful, can inadvertently generate harmful or undesirable content, raising significant ethical and safety concerns. Recent machine unlearning approaches offer potential solutions but often lack transparency, making it difficult to understand the changes they introduce to the base model. In this work, we introduce SAeUron, a novel method leveraging features learned by sparse autoencoders (SAEs) to remove unwanted concepts in text-to-image diffusion models. First, we demonstrate that SAEs, trained in an unsupervised manner on activations from multiple denoising timesteps of the diffusion model, capture sparse and interpretable features corresponding to specific concepts. Building on this, we propose a feature selection method that enables precise interventions on model activations to block targeted content while preserving overall performance. Our evaluation shows that SAeUron outperforms existing approaches on the UnlearnCanvas benchmark for concepts and style unlearning, and effectively eliminates nudity when evaluated with I2P. Moreover, we show that with a single SAE, we can remove multiple concepts simultaneously and that in contrast to other methods, SAeUron mitigates the possibility of generating unwanted content under adversarial attack. Code and checkpoints are available at [GitHub]( https://github.com/cywinski/SAeUron).

Deep Learning · Generative Models and Autoencoders

Dongjae Jeon, Dueun Kim, Albert No

In this paper, we introduce a geometric framework to analyze memorization in diffusion models through the sharpness of the log probability density. We mathematically justify a previously proposed score-difference-based memorization metric by demonstrating its effectiveness in quantifying sharpness. Additionally, we propose a novel memorization metric that captures sharpness at the initial stage of image generation in latent diffusion models, offering early insights into potential memorization. Leveraging this metric, we develop a mitigation strategy that optimizes the initial noise of the generation process using a sharpness-aware regularization term.

Deep Learning · Generative Models and Autoencoders

Zhaoyu Zhang, Yang Hua, Guanxiong Sun, Hui Wang, Seán McLoone

Diffusion-based generative models (diffusion models) often require a large amount of data to train a score-based model that learns the score function of the data distribution through denoising score matching. However, collecting and cleaning such data can be expensive, time-consuming, and even infeasible. In this paper, we present a novel theoretical insight for diffusion models that two factors, i.e., the denoiser function hypothesis space and the number of training samples, can affect the denoising score matching error of all training samples. Based on this theoretical insight, it is evident that minimizing the total denoising score matching error is challenging within the denoiser function hypothesis space in existing methods, when training diffusion models with limited data. To address this, we propose a new diffusion model called Limited Data Diffusion (LD-Diffusion), which consists of two main components: a compressing model and a novel mixed augmentation with fixed probability (MAFP) strategy. Specifically, the compressing model can constrain the complexity of the denoiser function hypothesis space and MAFP can effectively increase the training samples by providing more informative guidance than existing data augmentation methods in the compressed hypothesis space. Extensive experiments on several datasets demonstrate that LD-Diffusion can achieve better performance compared to other diffusion models. Codes are available at https://github.com/zzhang05/LD-Diffusion.

Deep Learning · Generative Models and Autoencoders

Mang Ning, Mingxiao Li, Jianlin Su, Jia Haozhe, Lanmiao Liu, Martin Benes, Wenshuo Chen, Albert Ali Salah, Itir Onal Ertugrul

This paper explores image modeling from the frequency space and introduces DCTdiff, an end-to-end diffusion generative paradigm that efficiently models images in the discrete cosine transform (DCT) space. We investigate the design space of DCTdiff and reveal the key design factors. Experiments on different frameworks (UViT, DiT), generation tasks, and various diffusion samplers demonstrate that DCTdiff outperforms pixel-based diffusion models regarding generative quality and training efficiency. Remarkably, DCTdiff can seamlessly scale up to 512$\times$512 resolution without using the latent diffusion paradigm and beats latent diffusion (using SD-VAE) with only 1/4 training cost. Finally, we illustrate several intriguing properties of DCT image modeling. For example, we provide a theoretical proof of why `image diffusion can be seen as spectral autoregression', bridging the gap between diffusion and autoregressive models. The effectiveness of DCTdiff and the introduced properties suggest a promising direction for image modeling in the frequency space. The code is at https://github.com/forever208/DCTdiff.

Deep Learning · Generative Models and Autoencoders

Alexander Lobashev, Dmitry Guskov, Maria Larchenko, Mikhail Tamm

This paper presents a novel method for analyzing the latent space geometry of generative models, including statistical physics models and diffusion models, by reconstructing the Fisher information metric. The method approximates the posterior distribution of latent variables given generated samples and uses this to learn the log-partition function, which defines the Fisher metric for exponential families. Theoretical convergence guarantees are provided, and the method is validated on the Ising and TASEP models, outperforming existing baselines in reconstructing thermodynamic quantities. Applied to diffusion models, the method reveals a fractal structure of phase transitions in the latent space, characterized by abrupt changes in the Fisher metric. We demonstrate that while geodesic interpolations are approximately linear within individual phases, this linearity breaks down at phase boundaries, where the diffusion model exhibits a divergent Lipschitz constant with respect to the latent space. These findings provide new insights into the complex structure of diffusion model latent spaces and their connection to phenomena like phase transitions.Our source code is available at \url{https://github.com/alobashev/hessian-geometry-of-diffusion-models}.

Social Aspects · Accountability, Transparency, and Interpretability

Qingyu Yin, Chak Tou Leong, Hongbo Zhang, Minjun Zhu, Hanqi Yan, Qiang Zhang, Yulan He, Wenjie Li, Jun Wang, Yue Zhang 等

The alignment of large language models (LLMs) with human preferences remains a key challenge. While post-training techniques like Reinforcement Learning from Human Feedback (RLHF) and Direct Preference Optimization (DPO) have achieved notable success, they often experience computational inefficiencies and training instability. In this paper, we propose \textbf{F}eature-level constrained \textbf{P}reference \textbf{O}ptimization (FPO), a novel method designed to simplify the alignment process while ensuring stability. FPO leverages pre-trained Sparse Autoencoders (SAEs) and introduces feature-level constraints, allowing for efficient, sparsity-enforced alignment. Our approach enjoys efficiency by using sparse features activated in a well-trained sparse autoencoder and the quality of sequential KL divergence by using the feature-level offline reference. Experimental results on benchmark datasets demonstrate that FPO achieves an above 5\% absolute improvement in win rate with much lower computational cost compared to state-of-the-art baselines, making it a promising solution for efficient and controllable LLM alignments.

Deep Learning · Generative Models and Autoencoders

Zhenxing Mi, Kuan-Chieh Wang, Guocheng Qian, Hanrong Ye, Runtao Liu, Sergey Tulyakov, Kfir Aberman, Dan Xu

This paper presents ThinkDiff, a novel alignment paradigm that empowers text-to-image diffusion models with multimodal in-context understanding and reasoning capabilities by integrating the strengths of vision-language models (VLMs). Existing multimodal diffusion finetuning methods largely focus on pixel-level reconstruction rather than in-context reasoning, and are constrained by the complexity and limited availability of reasoning-based datasets. ThinkDiff addresses these challenges by leveraging vision-language training as a proxy task, aligning VLMs with the decoder of an encoder-decoder large language model (LLM) instead of a diffusion decoder. This proxy task builds on the observation that the **LLM decoder** shares the same input feature space with **diffusion decoders** that use the corresponding **LLM encoder** for prompt embedding. As a result, aligning VLMs with diffusion decoders can be simplified through alignment with the LLM decoder. Without complex training and datasets, ThinkDiff effectively unleashes understanding, reasoning, and composing capabilities in diffusion models. Experiments demonstrate that ThinkDiff significantly improves accuracy from 19.2% to 46.3% on the challenging CoBSAT benchmark for multimodal in-context reasoning generation, with only 5 hours of training on 4 A100 GPUs. Additionally, ThinkDiff demonstrates exceptional performance in composing multiple images and texts into logically coherent images. Project page: https://mizhenxing.github.io/ThinkDiff.

Deep Learning · Generative Models and Autoencoders

Lukas Lao Beyer, Tianhong Li, Xinlei Chen, Sertac Karaman, Kaiming He

Commonly used image tokenizers produce a 2D grid of spatially arranged tokens. In contrast, so-called *1D* image tokenizers represent images as highly compressed one-dimensional sequences of as few as 32 discrete tokens. We find that the high degree of compression achieved by a 1D tokenizer with vector quantization enables image editing and generative capabilities through heuristic manipulation of tokens, demonstrating that even very crude manipulations -- such as copying and replacing tokens between latent representations of images -- enable fine-grained image editing by transferring appearance and semantic attributes. Motivated by the expressivity of the 1D tokenizer's latent space, we construct an image generation pipeline leveraging gradient-based test-time optimization of tokens with plug-and-play loss functions such as reconstruction or CLIP similarity. Our approach is demonstrated for inpainting and text-guided image editing use cases, and can generate diverse and realistic samples without requiring training of any generative model.

Applications · Health / Medicine

Alessandro Palma, Sergei Rybakov, Leon Hetzel, Stephan Günnemann, Fabian Theis

Latent space interpolations are a powerful tool for navigating deep generative models in applied settings. An example is single-cell RNA sequencing, where existing methods model cellular state transitions as latent space interpolations with variational autoencoders, often assuming linear shifts and Euclidean geometry. However, unless explicitly enforced, linear interpolations in the latent space may not correspond to geodesic paths on the data manifold, limiting methods that assume Euclidean geometry in the data representations. We introduce FlatVI, a novel training framework that regularises the latent manifold of discrete-likelihood variational autoencoders towards Euclidean geometry, specifically tailored for modelling single-cell count data. By encouraging straight lines in the latent space to approximate geodesic interpolations on the decoded single-cell manifold, FlatVI enhances compatibility with downstream approaches that assume Euclidean latent geometry. Experiments on synthetic data support the theoretical soundness of our approach, while applications to time-resolved single-cell RNA sequencing data demonstrate improved trajectory reconstruction and manifold interpolation.

Deep Learning · Generative Models and Autoencoders

Zhengyu Fang, Zhimeng Jiang, Huiyuan Chen, Xiao Li, Jing Li

Tabular data generation has attracted significant research interest in recent years, with the tabular diffusion models greatly improving the quality of synthetic data. However, while memorization—where models inadvertently replicate exact or near-identical training data—has been thoroughly investigated in image and text generation, its effects on tabular data remain largely unexplored. In this paper, we conduct the first comprehensive investigation of memorization phenomena in diffusion models for tabular data. Our empirical analysis reveals that memorization appears in tabular diffusion models and increases with larger training epochs. We further examine the influence of factors such as dataset sizes, feature dimensions, and different diffusion models on memorization. Additionally, we provide a theoretical explanation for why memorization occurs in tabular diffusion models. To address this issue, we propose TabCutMix, a simple yet effective data augmentation technique that exchanges randomly selected feature segments between random same-class training sample pairs. Building upon this, we introduce TabCutMixPlus, an enhanced method that clusters features based on feature correlations and ensures that features within the same cluster are exchanged together during augmentation. This clustering mechanism mitigates out-of-distribution (OOD) generation issues by maintaining feature coherence. Experimental results across various datasets and diffusion models demonstrate that TabCutMix effectively mitigates memorization while maintaining high-quality data generation. Our code is available at https://github.com/fangzy96/TabCutMix.

Deep Learning · Generative Models and Autoencoders

Idan Achituve, Hai Victor Habi, Amir Rosenfeld, Arnon Netzer, Idit Diamant, Ethan Fetaya

In image processing, solving inverse problems is the task of finding plausible reconstructions of an image that was corrupted by some (usually known) degradation operator. Commonly, this process is done using a generative image model that can guide the reconstruction towards solutions that appear natural. The success of diffusion models over the last few years has made them a leading candidate for this task. However, the sequential nature of diffusion models makes this conditional sampling process challenging. Furthermore, since diffusion models are often defined in the latent space of an autoencoder, the encoder-decoder transformations introduce additional difficulties. To address these challenges, we suggest a novel sampling method based on sequential Monte Carlo (SMC) in the latent space of diffusion models. We name our method LD-SMC. We define a generative model for the data using additional auxiliary observations and perform posterior inference with SMC sampling based on a backward diffusion process. Empirical evaluations on ImageNet and FFHQ show the benefits of LD-SMC over competing methods in various inverse problem tasks and especially in challenging inpainting tasks.

Deep Learning · Generative Models and Autoencoders

Marta Gentiloni Silveri, Antonio Ocello

Score-based Generative Models (SGMs) aim to sample from a target distribution by learning score functions using samples perturbed by Gaussian noise. Existing convergence bounds for SGMs in the $\mathcal{W}_2$-distance rely on stringent assumptions about the data distribution. In this work, we present a novel framework for analyzing $\mathcal{W}_2$-convergence in SGMs, significantly relaxing traditional assumptions such as log-concavity and score regularity. Leveraging the regularization properties of the Ornstein-Uhlenbeck (OU) process, we show that weak log-concavity of the data distribution evolves into log-concavity over time. This transition is rigorously quantified through a PDE-based analysis of the Hamilton-Jacobi-Bellman equation governing the log-density of the forward process. Moreover, we establish that the drift of the time-reversed OU process alternates between contractive and non-contractive regimes, reflecting the dynamics of concavity.Our approach circumvents the need for stringent regularity conditions on the score function and its estimators, relying instead on milder, more practical assumptions. We demonstrate the wide applicability of this framework through explicit computations on Gaussian mixture models, illustrating its versatility and potential for broader classes of data distributions.

Deep Learning · Generative Models and Autoencoders

Kuan Po Huang, Shu-wen Yang, Huy Phan, Bo-Ru Lu, Byeonggeun Kim, Sashank Macha, Qingming Tang, Shalini Ghosh, Hung-yi Lee, Chieh-Chi Kao 等

Text-to-audio generation synthesizes realistic sounds or music given a natural language prompt. Diffusion-based frameworks, including the Tango and the AudioLDM series, represent the state-of-the-art in text-to-audio generation. Despite achieving high audio fidelity, they incur significant inference latency due to the slow diffusion sampling process. MAGNET, a mask-based model operating on discrete tokens, addresses slow inference through iterative mask-based parallel decoding. However, its audio quality still lags behind that of diffusion-based models. In this work, we introduce IMPACT, a text-to-audio generation framework that achieves high performance in audio quality and fidelity while ensuring fast inference. IMPACT utilizes iterative mask-based parallel decoding in a continuous latent space powered by diffusion modeling. This approach eliminates the fidelity constraints of discrete tokens while maintaining competitive inference speed. Results on AudioCaps demonstrate that IMPACT achieves state-of-the-art performance on key metrics including Fréchet Distance (FD) and Fréchet Audio Distance (FAD) while significantly reducing latency compared to prior models. The project website is available at https://audio-impact.github.io/.

Deep Learning · Generative Models and Autoencoders

Jaehyeon Kim, Taehong Moon, Keon Lee, Jaewoong Cho

We introduce ResGen, an efficient Residual Vector Quantization (RVQ)-based generative model for high-fidelity generation with fast sampling. RVQ improves data fidelity by increasing the number of quantization steps, referred to as depth, but deeper quantization typically increases inference steps in generative models. To address this, ResGen directly predicts the vector embedding of collective tokens rather than individual ones, ensuring that inference steps remain independent of RVQ depth. Additionally, we formulate token masking and multi-token prediction within a probabilistic framework using discrete diffusion and variational inference. We validate the efficacy and generalizability of the proposed method on two challenging tasks across different modalities: conditional image generation on ImageNet 256×256 and zero-shot text-to-speech synthesis. Experimental results demonstrate that ResGen outperforms autoregressive counterparts in both tasks, delivering superior performance without compromising sampling speed. Furthermore, as we scale the depth of RVQ, our generative models exhibit enhanced generation fidelity or faster sampling speeds compared to similarly sized baseline models.

Deep Learning · Generative Models and Autoencoders

Zhicheng Zhang, Wuyou Xia, Chenxi Zhao, Zhou Yan, Xiaoqiang Liu, Yongjie Zhu, Wenyu Qin, Pengfei Wan, Di ZHANG, Jufeng Yang

Multimodal large language models (MLLMs) recently showed strong capacity in integrating data among multiple modalities, empowered by generalizable attention architecture. Advanced methods predominantly focus on language-centric tuning while less exploring multimodal tokens mixed through attention, posing challenges in high-level tasks that require fine-grained cognition and emotion understanding. In this work, we identify the attention deficit disorder problem in multimodal learning, caused by inconsistent cross-modal attention and layer-by-layer decayed attention activation. To address this, we propose a novel attention mechanism, termed MOdular Duplex Attention (MODA), simultaneously conducting the inner-modal refinement and inter-modal interaction. MODA employs a correct-after-align strategy to effectively decouple modality alignment from cross-layer token mixing. In the alignment phase, tokens are mapped to duplex modality spaces based on the basis vectors, enabling the interaction between visual and language modality. Further, the correctness of attention scores is ensured through adaptive masked attention, which enhances the model's flexibility by allowing customizable masking patterns for different modalities. Extensive experiments on 21 benchmark datasets verify the effectiveness of MODA in perception, cognition, and emotion tasks.

Deep Learning · Generative Models and Autoencoders

RISHI JINKA, Venkata Sai Mothish Gonugunta, Deepak N. Subramani

Time-series forecasting finds application across domains such as finance, climate science, and energy systems. We introduce the Conditional Diffusion with Nonlinear Data Transformation Model (CN-Diff), a generative framework that employs novel nonlinear transformations and learnable conditions in the forward process for time series forecasting. A new loss formulation for training is proposed, along with a detailed derivation of both forward and reverse process. The new additions improve the diffusion model's capacity to capture complex time series patterns, thus simplifying the reverse process. Our novel condition facilitates learning an efficient prior distribution. This also reduces the gap between the true negative log-likelihood and its variational approximation. CN-Diff is shown to perform better than other leading time series models on nine real-world datasets. Ablation studies are conducted to elucidate the role of each component of CN-Diff.

Deep Learning · Generative Models and Autoencoders

Nikita Gushchin, David Li, Daniil Selikhanovych, Evgeny Burnaev, Dmitry Baranchuk, Aleksandr Korotin

Learning diffusion bridge models is easy; making them fast and practical is an art. Diffusion bridge models (DBMs) are a promising extension of diffusion models for applications in image-to-image translation. However, like many modern diffusion and flow models, DBMs suffer from the problem of slow inference. To address it, we propose a novel distillation technique based on the inverse bridge matching formulation and derive the tractable objective to solve it in practice. Unlike previously developed DBM distillation techniques, the proposed method can distill both conditional and unconditional types of DBMs, distill models in a one-step generator, and use only the corrupted images for training. We evaluate our approach for both conditional and unconditional types of bridge matching on a wide set of setups, including super-resolution, JPEG restoration, sketch-to-image, and other tasks, and show that our distillation technique allows us to accelerate the inference of DBMs from 4x to 100x and even provide better generation quality than used teacher model depending on particular setup.

Deep Learning · Generative Models and Autoencoders

Grigoriy Ksenofontov, Aleksandr Korotin

The Schrödinger Bridge (SB) is a powerful framework for solving generative modeling tasks such as unpaired domain translation. Most SB-related research focuses on continuous data space $\mathbb{R}^{D}$ and leaves open theoretical and algorithmic questions about applying SB methods to discrete data, e.g, on finite spaces $\mathbb{S}^{D}$. Notable examples of such sets $\mathbb{S}$ are codebooks of vector-quantized (VQ) representations of modern autoencoders, tokens in texts, categories of atoms in molecules, etc. In this paper, we provide a theoretical and algorithmic foundation for solving SB in discrete spaces using the recently introduced Iterative Markovian Fitting (IMF) procedure. Specifically, we theoretically justify the convergence of discrete-time IMF (D-IMF) to SB in discrete spaces. This enables us to develop a practical computational algorithm for SB, which we call Categorical Schrödinger Bridge Matching (CSBM). We show the performance of CSBM via a series of experiments with synthetic data and VQ representations of images. The code of CSBM is available at [this repository](https://github.com/gregkseno/csbm).