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Generative Discovery of Novel Chemical Designs using Diffusion Modeling and Transformer Deep Neural Networks with Application to Deep Eutectic Solvents

We report a series of deep learning models to solve complex forward and inverse design problems in molecular modeling and design. Using both diffusion models inspired by nonequilibrium thermodynamics and attention-based transformer architectures, we demonstrate a flexible framework to capture complex chemical structures. First trained on the QM9 dataset and a series of quantum mechanical properties (e.g. homo, lumo, free energy, heat capacity, etc.), we then generalize the model to study and design key properties of deep eutectic solvents. In addition to separate forward and inverse models, we also report an integrated fully prompt-based multi-task generative pretrained transformer model that solves multiple forward, inverse design, and prediction tasks, flexibly and within one model. We show that the multi-task generative model has the overall best performance and allows for flexible integration of multiple objectives, within one model, and for distinct chemistries, suggesting that synergies emerge during training of this large language model. Trained jointly in tasks related to the QM9 dataset and deep eutectic solvents (DESs), the model can predict various quantum mechanical properties and critical properties to achieve deep eutectic solvent behavior. Several novel combinations of DESs are proposed based on this framework.

Learning Stackable and Skippable LEGO Bricks for Efficient, Reconfigurable, and Variable-Resolution Diffusion Modeling

Diffusion models excel at generating photo-realistic images but come with significant computational costs in both training and sampling. While various techniques address these computational challenges, a less-explored issue is designing an efficient and adaptable network backbone for iterative refinement. Current options like U-Net and Vision Transformer often rely on resource-intensive deep networks and lack the flexibility needed for generating images at variable resolutions or with a smaller network than used in training. This study introduces LEGO bricks, which seamlessly integrate Local-feature Enrichment and Global-content Orchestration. These bricks can be stacked to create a test-time reconfigurable diffusion backbone, allowing selective skipping of bricks to reduce sampling costs and generate higher-resolution images than the training data. LEGO bricks enrich local regions with an MLP and transform them using a Transformer block while maintaining a consistent full-resolution image across all bricks. Experimental results demonstrate that LEGO bricks enhance training efficiency, expedite convergence, and facilitate variable-resolution image generation while maintaining strong generative performance. Moreover, LEGO significantly reduces sampling time compared to other methods, establishing it as a valuable enhancement for diffusion models.

Unified Auto-Encoding with Masked Diffusion

At the core of both successful generative and self-supervised representation learning models there is a reconstruction objective that incorporates some form of image corruption. Diffusion models implement this approach through a scheduled Gaussian corruption process, while masked auto-encoder models do so by masking patches of the image. Despite their different approaches, the underlying similarity in their methodologies suggests a promising avenue for an auto-encoder capable of both de-noising tasks. We propose a unified self-supervised objective, dubbed Unified Masked Diffusion (UMD), that combines patch-based and noise-based corruption techniques within a single auto-encoding framework. Specifically, UMD modifies the diffusion transformer (DiT) training process by introducing an additional noise-free, high masking representation step in the diffusion noising schedule, and utilizes a mixed masked and noised image for subsequent timesteps. By integrating features useful for diffusion modeling and for predicting masked patch tokens, UMD achieves strong performance in downstream generative and representation learning tasks, including linear probing and class-conditional generation. This is achieved without the need for heavy data augmentations, multiple views, or additional encoders. Furthermore, UMD improves over the computational efficiency of prior diffusion based methods in total training time. We release our code at https://github.com/philippe-eecs/small-vision.

EzAudio: Enhancing Text-to-Audio Generation with Efficient Diffusion Transformer

Latent diffusion models have shown promising results in text-to-audio (T2A) generation tasks, yet previous models have encountered difficulties in generation quality, computational cost, diffusion sampling, and data preparation. In this paper, we introduce EzAudio, a transformer-based T2A diffusion model, to handle these challenges. Our approach includes several key innovations: (1) We build the T2A model on the latent space of a 1D waveform Variational Autoencoder (VAE), avoiding the complexities of handling 2D spectrogram representations and using an additional neural vocoder. (2) We design an optimized diffusion transformer architecture specifically tailored for audio latent representations and diffusion modeling, which enhances convergence speed, training stability, and memory usage, making the training process easier and more efficient. (3) To tackle data scarcity, we adopt a data-efficient training strategy that leverages unlabeled data for learning acoustic dependencies, audio caption data annotated by audio-language models for text-to-audio alignment learning, and human-labeled data for fine-tuning. (4) We introduce a classifier-free guidance (CFG) rescaling method that simplifies EzAudio by achieving strong prompt alignment while preserving great audio quality when using larger CFG scores, eliminating the need to struggle with finding the optimal CFG score to balance this trade-off. EzAudio surpasses existing open-source models in both objective metrics and subjective evaluations, delivering realistic listening experiences while maintaining a streamlined model structure, low training costs, and an easy-to-follow training pipeline. Code, data, and pre-trained models are released at: https://haidog-yaqub.github.io/EzAudio-Page/.

The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery

One of the grand challenges of artificial general intelligence is developing agents capable of conducting scientific research and discovering new knowledge. While frontier models have already been used as aids to human scientists, e.g. for brainstorming ideas, writing code, or prediction tasks, they still conduct only a small part of the scientific process. This paper presents the first comprehensive framework for fully automatic scientific discovery, enabling frontier large language models to perform research independently and communicate their findings. We introduce The AI Scientist, which generates novel research ideas, writes code, executes experiments, visualizes results, describes its findings by writing a full scientific paper, and then runs a simulated review process for evaluation. In principle, this process can be repeated to iteratively develop ideas in an open-ended fashion, acting like the human scientific community. We demonstrate its versatility by applying it to three distinct subfields of machine learning: diffusion modeling, transformer-based language modeling, and learning dynamics. Each idea is implemented and developed into a full paper at a cost of less than $15 per paper. To evaluate the generated papers, we design and validate an automated reviewer, which we show achieves near-human performance in evaluating paper scores. The AI Scientist can produce papers that exceed the acceptance threshold at a top machine learning conference as judged by our automated reviewer. This approach signifies the beginning of a new era in scientific discovery in machine learning: bringing the transformative benefits of AI agents to the entire research process of AI itself, and taking us closer to a world where endless affordable creativity and innovation can be unleashed on the world's most challenging problems. Our code is open-sourced at https://github.com/SakanaAI/AI-Scientist

Anywhere: A Multi-Agent Framework for Reliable and Diverse Foreground-Conditioned Image Inpainting

Recent advancements in image inpainting, particularly through diffusion modeling, have yielded promising outcomes. However, when tested in scenarios involving the completion of images based on the foreground objects, current methods that aim to inpaint an image in an end-to-end manner encounter challenges such as "over-imagination", inconsistency between foreground and background, and limited diversity. In response, we introduce Anywhere, a pioneering multi-agent framework designed to address these issues. Anywhere utilizes a sophisticated pipeline framework comprising various agents such as Visual Language Model (VLM), Large Language Model (LLM), and image generation models. This framework consists of three principal components: the prompt generation module, the image generation module, and the outcome analyzer. The prompt generation module conducts a semantic analysis of the input foreground image, leveraging VLM to predict relevant language descriptions and LLM to recommend optimal language prompts. In the image generation module, we employ a text-guided canny-to-image generation model to create a template image based on the edge map of the foreground image and language prompts, and an image refiner to produce the outcome by blending the input foreground and the template image. The outcome analyzer employs VLM to evaluate image content rationality, aesthetic score, and foreground-background relevance, triggering prompt and image regeneration as needed. Extensive experiments demonstrate that our Anywhere framework excels in foreground-conditioned image inpainting, mitigating "over-imagination", resolving foreground-background discrepancies, and enhancing diversity. It successfully elevates foreground-conditioned image inpainting to produce more reliable and diverse results.

Score-Based Generative Modeling through Stochastic Differential Equations

Creating noise from data is easy; creating data from noise is generative modeling. We present a stochastic differential equation (SDE) that smoothly transforms a complex data distribution to a known prior distribution by slowly injecting noise, and a corresponding reverse-time SDE that transforms the prior distribution back into the data distribution by slowly removing the noise. Crucially, the reverse-time SDE depends only on the time-dependent gradient field (\aka, score) of the perturbed data distribution. By leveraging advances in score-based generative modeling, we can accurately estimate these scores with neural networks, and use numerical SDE solvers to generate samples. We show that this framework encapsulates previous approaches in score-based generative modeling and diffusion probabilistic modeling, allowing for new sampling procedures and new modeling capabilities. In particular, we introduce a predictor-corrector framework to correct errors in the evolution of the discretized reverse-time SDE. We also derive an equivalent neural ODE that samples from the same distribution as the SDE, but additionally enables exact likelihood computation, and improved sampling efficiency. In addition, we provide a new way to solve inverse problems with score-based models, as demonstrated with experiments on class-conditional generation, image inpainting, and colorization. Combined with multiple architectural improvements, we achieve record-breaking performance for unconditional image generation on CIFAR-10 with an Inception score of 9.89 and FID of 2.20, a competitive likelihood of 2.99 bits/dim, and demonstrate high fidelity generation of 1024 x 1024 images for the first time from a score-based generative model.

Multi-Modal Generative AI: Multi-modal LLM, Diffusion and Beyond

Multi-modal generative AI has received increasing attention in both academia and industry. Particularly, two dominant families of techniques are: i) The multi-modal large language model (MLLM) such as GPT-4V, which shows impressive ability for multi-modal understanding; ii) The diffusion model such as Sora, which exhibits remarkable multi-modal powers, especially with respect to visual generation. As such, one natural question arises: Is it possible to have a unified model for both understanding and generation? To answer this question, in this paper, we first provide a detailed review of both MLLM and diffusion models, including their probabilistic modeling procedure, multi-modal architecture design, and advanced applications to image/video large language models as well as text-to-image/video generation. Then, we discuss the two important questions on the unified model: i) whether the unified model should adopt the auto-regressive or diffusion probabilistic modeling, and ii) whether the model should utilize a dense architecture or the Mixture of Experts(MoE) architectures to better support generation and understanding, two objectives. We further provide several possible strategies for building a unified model and analyze their potential advantages and disadvantages. We also summarize existing large-scale multi-modal datasets for better model pretraining in the future. To conclude the paper, we present several challenging future directions, which we believe can contribute to the ongoing advancement of multi-modal generative AI.

De novo protein design using geometric vector field networks

Innovations like protein diffusion have enabled significant progress in de novo protein design, which is a vital topic in life science. These methods typically depend on protein structure encoders to model residue backbone frames, where atoms do not exist. Most prior encoders rely on atom-wise features, such as angles and distances between atoms, which are not available in this context. Thus far, only several simple encoders, such as IPA, have been proposed for this scenario, exposing the frame modeling as a bottleneck. In this work, we proffer the Vector Field Network (VFN), which enables network layers to perform learnable vector computations between coordinates of frame-anchored virtual atoms, thus achieving a higher capability for modeling frames. The vector computation operates in a manner similar to a linear layer, with each input channel receiving 3D virtual atom coordinates instead of scalar values. The multiple feature vectors output by the vector computation are then used to update the residue representations and virtual atom coordinates via attention aggregation. Remarkably, VFN also excels in modeling both frames and atoms, as the real atoms can be treated as the virtual atoms for modeling, positioning VFN as a potential universal encoder. In protein diffusion (frame modeling), VFN exhibits an impressive performance advantage over IPA, excelling in terms of both designability (67.04% vs. 53.58%) and diversity (66.54% vs. 51.98%). In inverse folding (frame and atom modeling), VFN outperforms the previous SoTA model, PiFold (54.7% vs. 51.66%), on sequence recovery rate. We also propose a method of equipping VFN with the ESM model, which significantly surpasses the previous ESM-based SoTA (62.67% vs. 55.65%), LM-Design, by a substantial margin.

Membership Inference Attacks Against Text-to-image Generation Models

Text-to-image generation models have recently attracted unprecedented attention as they unlatch imaginative applications in all areas of life. However, developing such models requires huge amounts of data that might contain privacy-sensitive information, e.g., face identity. While privacy risks have been extensively demonstrated in the image classification and GAN generation domains, privacy risks in the text-to-image generation domain are largely unexplored. In this paper, we perform the first privacy analysis of text-to-image generation models through the lens of membership inference. Specifically, we propose three key intuitions about membership information and design four attack methodologies accordingly. We conduct comprehensive evaluations on two mainstream text-to-image generation models including sequence-to-sequence modeling and diffusion-based modeling. The empirical results show that all of the proposed attacks can achieve significant performance, in some cases even close to an accuracy of 1, and thus the corresponding risk is much more severe than that shown by existing membership inference attacks. We further conduct an extensive ablation study to analyze the factors that may affect the attack performance, which can guide developers and researchers to be alert to vulnerabilities in text-to-image generation models. All these findings indicate that our proposed attacks pose a realistic privacy threat to the text-to-image generation models.

Diffusion Models for Multi-Task Generative Modeling

Diffusion-based generative modeling has been achieving state-of-the-art results on various generation tasks. Most diffusion models, however, are limited to a single-generation modeling. Can we generalize diffusion models with the ability of multi-modal generative training for more generalizable modeling? In this paper, we propose a principled way to define a diffusion model by constructing a unified multi-modal diffusion model in a common diffusion space. We define the forward diffusion process to be driven by an information aggregation from multiple types of task-data, e.g., images for a generation task and labels for a classification task. In the reverse process, we enforce information sharing by parameterizing a shared backbone denoising network with additional modality-specific decoder heads. Such a structure can simultaneously learn to generate different types of multi-modal data with a multi-task loss, which is derived from a new multi-modal variational lower bound that generalizes the standard diffusion model. We propose several multimodal generation settings to verify our framework, including image transition, masked-image training, joint image-label and joint image-representation generative modeling. Extensive experimental results on ImageNet indicate the effectiveness of our framework for various multi-modal generative modeling, which we believe is an important research direction worthy of more future explorations.

ACDiT: Interpolating Autoregressive Conditional Modeling and Diffusion Transformer

The recent surge of interest in comprehensive multimodal models has necessitated the unification of diverse modalities. However, the unification suffers from disparate methodologies. Continuous visual generation necessitates the full-sequence diffusion-based approach, despite its divergence from the autoregressive modeling in the text domain. We posit that autoregressive modeling, i.e., predicting the future based on past deterministic experience, remains crucial in developing both a visual generation model and a potential unified multimodal model. In this paper, we explore an interpolation between the autoregressive modeling and full-parameters diffusion to model visual information. At its core, we present ACDiT, an Autoregressive blockwise Conditional Diffusion Transformer, where the block size of diffusion, i.e., the size of autoregressive units, can be flexibly adjusted to interpolate between token-wise autoregression and full-sequence diffusion. ACDiT is easy to implement, as simple as creating a Skip-Causal Attention Mask (SCAM) during training. During inference, the process iterates between diffusion denoising and autoregressive decoding that can make full use of KV-Cache. We verify the effectiveness of ACDiT on image and video generation tasks. We also demonstrate that benefitted from autoregressive modeling, ACDiT can be seamlessly used in visual understanding tasks despite being trained on the diffusion objective. The analysis of the trade-off between autoregressive modeling and diffusion demonstrates the potential of ACDiT to be used in long-horizon visual generation tasks. These strengths make it promising as the backbone of future unified models.

Geometric Trajectory Diffusion Models

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.

TALC: Time-Aligned Captions for Multi-Scene Text-to-Video Generation

Recent advances in diffusion-based generative modeling have led to the development of text-to-video (T2V) models that can generate high-quality videos conditioned on a text prompt. Most of these T2V models often produce single-scene video clips that depict an entity performing a particular action (e.g., `a red panda climbing a tree'). However, it is pertinent to generate multi-scene videos since they are ubiquitous in the real-world (e.g., `a red panda climbing a tree' followed by `the red panda sleeps on the top of the tree'). To generate multi-scene videos from the pretrained T2V model, we introduce Time-Aligned Captions (TALC) framework. Specifically, we enhance the text-conditioning mechanism in the T2V architecture to recognize the temporal alignment between the video scenes and scene descriptions. For instance, we condition the visual features of the earlier and later scenes of the generated video with the representations of the first scene description (e.g., `a red panda climbing a tree') and second scene description (e.g., `the red panda sleeps on the top of the tree'), respectively. As a result, we show that the T2V model can generate multi-scene videos that adhere to the multi-scene text descriptions and be visually consistent (e.g., entity and background). Further, we finetune the pretrained T2V model with multi-scene video-text data using the TALC framework. We show that the TALC-finetuned model outperforms the baseline methods by 15.5 points in the overall score, which averages visual consistency and text adherence using human evaluation. The project website is https://talc-mst2v.github.io/.

Large Motion Model for Unified Multi-Modal Motion Generation

Human motion generation, a cornerstone technique in animation and video production, has widespread applications in various tasks like text-to-motion and music-to-dance. Previous works focus on developing specialist models tailored for each task without scalability. In this work, we present Large Motion Model (LMM), a motion-centric, multi-modal framework that unifies mainstream motion generation tasks into a generalist model. A unified motion model is appealing since it can leverage a wide range of motion data to achieve broad generalization beyond a single task. However, it is also challenging due to the heterogeneous nature of substantially different motion data and tasks. LMM tackles these challenges from three principled aspects: 1) Data: We consolidate datasets with different modalities, formats and tasks into a comprehensive yet unified motion generation dataset, MotionVerse, comprising 10 tasks, 16 datasets, a total of 320k sequences, and 100 million frames. 2) Architecture: We design an articulated attention mechanism ArtAttention that incorporates body part-aware modeling into Diffusion Transformer backbone. 3) Pre-Training: We propose a novel pre-training strategy for LMM, which employs variable frame rates and masking forms, to better exploit knowledge from diverse training data. Extensive experiments demonstrate that our generalist LMM achieves competitive performance across various standard motion generation tasks over state-of-the-art specialist models. Notably, LMM exhibits strong generalization capabilities and emerging properties across many unseen tasks. Additionally, our ablation studies reveal valuable insights about training and scaling up large motion models for future research.

Redefining Temporal Modeling in Video Diffusion: The Vectorized Timestep Approach

Diffusion models have revolutionized image generation, and their extension to video generation has shown promise. However, current video diffusion models~(VDMs) rely on a scalar timestep variable applied at the clip level, which limits their ability to model complex temporal dependencies needed for various tasks like image-to-video generation. To address this limitation, we propose a frame-aware video diffusion model~(FVDM), which introduces a novel vectorized timestep variable~(VTV). Unlike conventional VDMs, our approach allows each frame to follow an independent noise schedule, enhancing the model's capacity to capture fine-grained temporal dependencies. FVDM's flexibility is demonstrated across multiple tasks, including standard video generation, image-to-video generation, video interpolation, and long video synthesis. Through a diverse set of VTV configurations, we achieve superior quality in generated videos, overcoming challenges such as catastrophic forgetting during fine-tuning and limited generalizability in zero-shot methods.Our empirical evaluations show that FVDM outperforms state-of-the-art methods in video generation quality, while also excelling in extended tasks. By addressing fundamental shortcomings in existing VDMs, FVDM sets a new paradigm in video synthesis, offering a robust framework with significant implications for generative modeling and multimedia applications.

DAViD: Modeling Dynamic Affordance of 3D Objects using Pre-trained Video Diffusion Models

Understanding the ability of humans to use objects is crucial for AI to improve daily life. Existing studies for learning such ability focus on human-object patterns (e.g., contact, spatial relation, orientation) in static situations, and learning Human-Object Interaction (HOI) patterns over time (i.e., movement of human and object) is relatively less explored. In this paper, we introduce a novel type of affordance named Dynamic Affordance. For a given input 3D object mesh, we learn dynamic affordance which models the distribution of both (1) human motion and (2) human-guided object pose during interactions. As a core idea, we present a method to learn the 3D dynamic affordance from synthetically generated 2D videos, leveraging a pre-trained video diffusion model. Specifically, we propose a pipeline that first generates 2D HOI videos from the 3D object and then lifts them into 3D to generate 4D HOI samples. Once we generate diverse 4D HOI samples on various target objects, we train our DAViD, where we present a method based on the Low-Rank Adaptation (LoRA) module for pre-trained human motion diffusion model (MDM) and an object pose diffusion model with human pose guidance. Our motion diffusion model is extended for multi-object interactions, demonstrating the advantage of our pipeline with LoRA for combining the concepts of object usage. Through extensive experiments, we demonstrate our DAViD outperforms the baselines in generating human motion with HOIs.

Joint Generative Modeling of Scene Graphs and Images via Diffusion Models

In this paper, we present a novel generative task: joint scene graph - image generation. While previous works have explored image generation conditioned on scene graphs or layouts, our task is distinctive and important as it involves generating scene graphs themselves unconditionally from noise, enabling efficient and interpretable control for image generation. Our task is challenging, requiring the generation of plausible scene graphs with heterogeneous attributes for nodes (objects) and edges (relations among objects), including continuous object bounding boxes and discrete object and relation categories. We introduce a novel diffusion model, DiffuseSG, that jointly models the adjacency matrix along with heterogeneous node and edge attributes. We explore various types of encodings for the categorical data, relaxing it into a continuous space. With a graph transformer being the denoiser, DiffuseSG successively denoises the scene graph representation in a continuous space and discretizes the final representation to generate the clean scene graph. Additionally, we introduce an IoU regularization to enhance the empirical performance. Our model significantly outperforms existing methods in scene graph generation on the Visual Genome and COCO-Stuff datasets, both on standard and newly introduced metrics that better capture the problem complexity. Moreover, we demonstrate the additional benefits of our model in two downstream applications: 1) excelling in a series of scene graph completion tasks, and 2) improving scene graph detection models by using extra training samples generated from DiffuseSG.

VDT: General-purpose Video Diffusion Transformers via Mask Modeling

This work introduces Video Diffusion Transformer (VDT), which pioneers the use of transformers in diffusion-based video generation. It features transformer blocks with modularized temporal and spatial attention modules to leverage the rich spatial-temporal representation inherited in transformers. We also propose a unified spatial-temporal mask modeling mechanism, seamlessly integrated with the model, to cater to diverse video generation scenarios. VDT offers several appealing benefits. 1) It excels at capturing temporal dependencies to produce temporally consistent video frames and even simulate the physics and dynamics of 3D objects over time. 2) It facilitates flexible conditioning information, \eg, simple concatenation in the token space, effectively unifying different token lengths and modalities. 3) Pairing with our proposed spatial-temporal mask modeling mechanism, it becomes a general-purpose video diffuser for harnessing a range of tasks, including unconditional generation, video prediction, interpolation, animation, and completion, etc. Extensive experiments on these tasks spanning various scenarios, including autonomous driving, natural weather, human action, and physics-based simulation, demonstrate the effectiveness of VDT. Additionally, we present comprehensive studies on how \model handles conditioning information with the mask modeling mechanism, which we believe will benefit future research and advance the field. Project page: https:VDT-2023.github.io

On gauge freedom, conservativity and intrinsic dimensionality estimation in diffusion models

Diffusion models are generative models that have recently demonstrated impressive performances in terms of sampling quality and density estimation in high dimensions. They rely on a forward continuous diffusion process and a backward continuous denoising process, which can be described by a time-dependent vector field and is used as a generative model. In the original formulation of the diffusion model, this vector field is assumed to be the score function (i.e. it is the gradient of the log-probability at a given time in the diffusion process). Curiously, on the practical side, most studies on diffusion models implement this vector field as a neural network function and do not constrain it be the gradient of some energy function (that is, most studies do not constrain the vector field to be conservative). Even though some studies investigated empirically whether such a constraint will lead to a performance gain, they lead to contradicting results and failed to provide analytical results. Here, we provide three analytical results regarding the extent of the modeling freedom of this vector field. {Firstly, we propose a novel decomposition of vector fields into a conservative component and an orthogonal component which satisfies a given (gauge) freedom. Secondly, from this orthogonal decomposition, we show that exact density estimation and exact sampling is achieved when the conservative component is exactly equals to the true score and therefore conservativity is neither necessary nor sufficient to obtain exact density estimation and exact sampling. Finally, we show that when it comes to inferring local information of the data manifold, constraining the vector field to be conservative is desirable.

Diffusion-Based Neural Network Weights Generation

Transfer learning has gained significant attention in recent deep learning research due to its ability to accelerate convergence and enhance performance on new tasks. However, its success is often contingent on the similarity between source and target data, and training on numerous datasets can be costly, leading to blind selection of pretrained models with limited insight into their effectiveness. To address these challenges, we introduce D2NWG, a diffusion-based neural network weights generation technique that efficiently produces high-performing weights for transfer learning, conditioned on the target dataset. Our method extends generative hyper-representation learning to recast the latent diffusion paradigm for neural network weights generation, learning the weight distributions of models pretrained on various datasets. This allows for automatic generation of weights that generalize well across both seen and unseen tasks, outperforming state-of-the-art meta-learning methods and pretrained models. Moreover, our approach is scalable to large architectures such as large language models (LLMs), overcoming the limitations of current parameter generation techniques that rely on task-specific model collections or access to original training data. By modeling the parameter distribution of LLMs, D2NWG enables task-specific parameter generation without requiring additional fine-tuning or large collections of model variants. Extensive experiments show that our method consistently enhances the performance of diverse base models, regardless of their size or complexity, positioning it as a robust solution for scalable transfer learning.

Diffusion Models for Medical Image Analysis: A Comprehensive Survey

Denoising diffusion models, a class of generative models, have garnered immense interest lately in various deep-learning problems. A diffusion probabilistic model defines a forward diffusion stage where the input data is gradually perturbed over several steps by adding Gaussian noise and then learns to reverse the diffusion process to retrieve the desired noise-free data from noisy data samples. Diffusion models are widely appreciated for their strong mode coverage and quality of the generated samples despite their known computational burdens. Capitalizing on the advances in computer vision, the field of medical imaging has also observed a growing interest in diffusion models. To help the researcher navigate this profusion, this survey intends to provide a comprehensive overview of diffusion models in the discipline of medical image analysis. Specifically, we introduce the solid theoretical foundation and fundamental concepts behind diffusion models and the three generic diffusion modelling frameworks: diffusion probabilistic models, noise-conditioned score networks, and stochastic differential equations. Then, we provide a systematic taxonomy of diffusion models in the medical domain and propose a multi-perspective categorization based on their application, imaging modality, organ of interest, and algorithms. To this end, we cover extensive applications of diffusion models in the medical domain. Furthermore, we emphasize the practical use case of some selected approaches, and then we discuss the limitations of the diffusion models in the medical domain and propose several directions to fulfill the demands of this field. Finally, we gather the overviewed studies with their available open-source implementations at https://github.com/amirhossein-kz/Awesome-Diffusion-Models-in-Medical-Imaging.

Go-with-the-Flow: Motion-Controllable Video Diffusion Models Using Real-Time Warped Noise

Generative modeling aims to transform random noise into structured outputs. In this work, we enhance video diffusion models by allowing motion control via structured latent noise sampling. This is achieved by just a change in data: we pre-process training videos to yield structured noise. Consequently, our method is agnostic to diffusion model design, requiring no changes to model architectures or training pipelines. Specifically, we propose a novel noise warping algorithm, fast enough to run in real time, that replaces random temporal Gaussianity with correlated warped noise derived from optical flow fields, while preserving the spatial Gaussianity. The efficiency of our algorithm enables us to fine-tune modern video diffusion base models using warped noise with minimal overhead, and provide a one-stop solution for a wide range of user-friendly motion control: local object motion control, global camera movement control, and motion transfer. The harmonization between temporal coherence and spatial Gaussianity in our warped noise leads to effective motion control while maintaining per-frame pixel quality. Extensive experiments and user studies demonstrate the advantages of our method, making it a robust and scalable approach for controlling motion in video diffusion models. Video results are available on our webpage: https://vgenai-netflix-eyeline-research.github.io/Go-with-the-Flow. Source code and model checkpoints are available on GitHub: https://github.com/VGenAI-Netflix-Eyeline-Research/Go-with-the-Flow.

Diffusion with Forward Models: Solving Stochastic Inverse Problems Without Direct Supervision

Denoising diffusion models are a powerful type of generative models used to capture complex distributions of real-world signals. However, their applicability is limited to scenarios where training samples are readily available, which is not always the case in real-world applications. For example, in inverse graphics, the goal is to generate samples from a distribution of 3D scenes that align with a given image, but ground-truth 3D scenes are unavailable and only 2D images are accessible. To address this limitation, we propose a novel class of denoising diffusion probabilistic models that learn to sample from distributions of signals that are never directly observed. Instead, these signals are measured indirectly through a known differentiable forward model, which produces partial observations of the unknown signal. Our approach involves integrating the forward model directly into the denoising process. This integration effectively connects the generative modeling of observations with the generative modeling of the underlying signals, allowing for end-to-end training of a conditional generative model over signals. During inference, our approach enables sampling from the distribution of underlying signals that are consistent with a given partial observation. We demonstrate the effectiveness of our method on three challenging computer vision tasks. For instance, in the context of inverse graphics, our model enables direct sampling from the distribution of 3D scenes that align with a single 2D input image.

DEEM: Diffusion Models Serve as the Eyes of Large Language Models for Image Perception

The development of large language models (LLMs) has significantly advanced the emergence of large multimodal models (LMMs). While LMMs have achieved tremendous success by promoting the synergy between multimodal comprehension and creation, they often face challenges when confronted with out-of-distribution data. This is primarily due to their reliance on image encoders trained to encode images into task-relevant features, which may lead them to disregard irrelevant details. Delving into the modeling capabilities of diffusion models for images naturally prompts the question: Can diffusion models serve as the eyes of large language models for image perception? In this paper, we propose DEEM, a simple and effective approach that utilizes the generative feedback of diffusion models to align the semantic distributions of the image encoder. This addresses the drawbacks of previous methods that solely relied on image encoders like ViT, thereby enhancing the model's resilience against out-of-distribution samples and reducing visual hallucinations. Importantly, this is achieved without requiring additional training modules and with fewer training parameters. We extensively evaluated DEEM on both our newly constructed RobustVQA benchmark and another well-known benchmark, POPE, for object hallucination. Compared to the state-of-the-art interleaved content generation models, DEEM exhibits enhanced robustness and a superior capacity to alleviate model hallucinations while utilizing fewer trainable parameters, less pre-training data (10%), and a smaller base model size.

DiffIR: Efficient Diffusion Model for Image Restoration

Diffusion model (DM) has achieved SOTA performance by modeling the image synthesis process into a sequential application of a denoising network. However, different from image synthesis, image restoration (IR) has a strong constraint to generate results in accordance with ground-truth. Thus, for IR, traditional DMs running massive iterations on a large model to estimate whole images or feature maps is inefficient. To address this issue, we propose an efficient DM for IR (DiffIR), which consists of a compact IR prior extraction network (CPEN), dynamic IR transformer (DIRformer), and denoising network. Specifically, DiffIR has two training stages: pretraining and training DM. In pretraining, we input ground-truth images into CPEN_{S1} to capture a compact IR prior representation (IPR) to guide DIRformer. In the second stage, we train the DM to directly estimate the same IRP as pretrained CPEN_{S1} only using LQ images. We observe that since the IPR is only a compact vector, DiffIR can use fewer iterations than traditional DM to obtain accurate estimations and generate more stable and realistic results. Since the iterations are few, our DiffIR can adopt a joint optimization of CPEN_{S2}, DIRformer, and denoising network, which can further reduce the estimation error influence. We conduct extensive experiments on several IR tasks and achieve SOTA performance while consuming less computational costs. Code is available at https://github.com/Zj-BinXia/DiffIR.

Unifying Diffusion Models' Latent Space, with Applications to CycleDiffusion and Guidance

Diffusion models have achieved unprecedented performance in generative modeling. The commonly-adopted formulation of the latent code of diffusion models is a sequence of gradually denoised samples, as opposed to the simpler (e.g., Gaussian) latent space of GANs, VAEs, and normalizing flows. This paper provides an alternative, Gaussian formulation of the latent space of various diffusion models, as well as an invertible DPM-Encoder that maps images into the latent space. While our formulation is purely based on the definition of diffusion models, we demonstrate several intriguing consequences. (1) Empirically, we observe that a common latent space emerges from two diffusion models trained independently on related domains. In light of this finding, we propose CycleDiffusion, which uses DPM-Encoder for unpaired image-to-image translation. Furthermore, applying CycleDiffusion to text-to-image diffusion models, we show that large-scale text-to-image diffusion models can be used as zero-shot image-to-image editors. (2) One can guide pre-trained diffusion models and GANs by controlling the latent codes in a unified, plug-and-play formulation based on energy-based models. Using the CLIP model and a face recognition model as guidance, we demonstrate that diffusion models have better coverage of low-density sub-populations and individuals than GANs. The code is publicly available at https://github.com/ChenWu98/cycle-diffusion.

Predict, Refine, Synthesize: Self-Guiding Diffusion Models for Probabilistic Time Series Forecasting

Diffusion models have achieved state-of-the-art performance in generative modeling tasks across various domains. Prior works on time series diffusion models have primarily focused on developing conditional models tailored to specific forecasting or imputation tasks. In this work, we explore the potential of task-agnostic, unconditional diffusion models for several time series applications. We propose TSDiff, an unconditionally trained diffusion model for time series. Our proposed self-guidance mechanism enables conditioning TSDiff for downstream tasks during inference, without requiring auxiliary networks or altering the training procedure. We demonstrate the effectiveness of our method on three different time series tasks: forecasting, refinement, and synthetic data generation. First, we show that TSDiff is competitive with several task-specific conditional forecasting methods (predict). Second, we leverage the learned implicit probability density of TSDiff to iteratively refine the predictions of base forecasters with reduced computational overhead over reverse diffusion (refine). Notably, the generative performance of the model remains intact -- downstream forecasters trained on synthetic samples from TSDiff outperform forecasters that are trained on samples from other state-of-the-art generative time series models, occasionally even outperforming models trained on real data (synthesize).

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.

Generative Modeling with Explicit Memory

Recent studies indicate that the denoising process in deep generative diffusion models implicitly learns and memorizes semantic information from the data distribution. These findings suggest that capturing more complex data distributions requires larger neural networks, leading to a substantial increase in computational demands, which in turn become the primary bottleneck in both training and inference of diffusion models. To this end, we introduce Generative Modeling with Explicit Memory (GMem), leveraging an external memory bank in both training and sampling phases of diffusion models. This approach preserves semantic information from data distributions, reducing reliance on neural network capacity for learning and generalizing across diverse datasets. The results are significant: our GMem enhances both training, sampling efficiency, and generation quality. For instance, on ImageNet at 256 times 256 resolution, GMem accelerates SiT training by over 46.7times, achieving the performance of a SiT model trained for 7M steps in fewer than 150K steps. Compared to the most efficient existing method, REPA, GMem still offers a 16times speedup, attaining an FID score of 5.75 within 250K steps, whereas REPA requires over 4M steps. Additionally, our method achieves state-of-the-art generation quality, with an FID score of {3.56} without classifier-free guidance on ImageNet 256times256. Our code is available at https://github.com/LINs-lab/GMem.

Improving Virtual Try-On with Garment-focused Diffusion Models

Diffusion models have led to the revolutionizing of generative modeling in numerous image synthesis tasks. Nevertheless, it is not trivial to directly apply diffusion models for synthesizing an image of a target person wearing a given in-shop garment, i.e., image-based virtual try-on (VTON) task. The difficulty originates from the aspect that the diffusion process should not only produce holistically high-fidelity photorealistic image of the target person, but also locally preserve every appearance and texture detail of the given garment. To address this, we shape a new Diffusion model, namely GarDiff, which triggers the garment-focused diffusion process with amplified guidance of both basic visual appearance and detailed textures (i.e., high-frequency details) derived from the given garment. GarDiff first remoulds a pre-trained latent diffusion model with additional appearance priors derived from the CLIP and VAE encodings of the reference garment. Meanwhile, a novel garment-focused adapter is integrated into the UNet of diffusion model, pursuing local fine-grained alignment with the visual appearance of reference garment and human pose. We specifically design an appearance loss over the synthesized garment to enhance the crucial, high-frequency details. Extensive experiments on VITON-HD and DressCode datasets demonstrate the superiority of our GarDiff when compared to state-of-the-art VTON approaches. Code is publicly available at: https://github.com/siqi0905/GarDiff/tree/master{https://github.com/siqi0905/GarDiff/tree/master}.

Visual Autoregressive Modeling: Scalable Image Generation via Next-Scale Prediction

We present Visual AutoRegressive modeling (VAR), a new generation paradigm that redefines the autoregressive learning on images as coarse-to-fine "next-scale prediction" or "next-resolution prediction", diverging from the standard raster-scan "next-token prediction". This simple, intuitive methodology allows autoregressive (AR) transformers to learn visual distributions fast and generalize well: VAR, for the first time, makes AR models surpass diffusion transformers in image generation. On ImageNet 256x256 benchmark, VAR significantly improve AR baseline by improving Frechet inception distance (FID) from 18.65 to 1.80, inception score (IS) from 80.4 to 356.4, with around 20x faster inference speed. It is also empirically verified that VAR outperforms the Diffusion Transformer (DiT) in multiple dimensions including image quality, inference speed, data efficiency, and scalability. Scaling up VAR models exhibits clear power-law scaling laws similar to those observed in LLMs, with linear correlation coefficients near -0.998 as solid evidence. VAR further showcases zero-shot generalization ability in downstream tasks including image in-painting, out-painting, and editing. These results suggest VAR has initially emulated the two important properties of LLMs: Scaling Laws and zero-shot task generalization. We have released all models and codes to promote the exploration of AR/VAR models for visual generation and unified learning.

3D$^2$-Actor: Learning Pose-Conditioned 3D-Aware Denoiser for Realistic Gaussian Avatar Modeling

Advancements in neural implicit representations and differentiable rendering have markedly improved the ability to learn animatable 3D avatars from sparse multi-view RGB videos. However, current methods that map observation space to canonical space often face challenges in capturing pose-dependent details and generalizing to novel poses. While diffusion models have demonstrated remarkable zero-shot capabilities in 2D image generation, their potential for creating animatable 3D avatars from 2D inputs remains underexplored. In this work, we introduce 3D^2-Actor, a novel approach featuring a pose-conditioned 3D-aware human modeling pipeline that integrates iterative 2D denoising and 3D rectifying steps. The 2D denoiser, guided by pose cues, generates detailed multi-view images that provide the rich feature set necessary for high-fidelity 3D reconstruction and pose rendering. Complementing this, our Gaussian-based 3D rectifier renders images with enhanced 3D consistency through a two-stage projection strategy and a novel local coordinate representation. Additionally, we propose an innovative sampling strategy to ensure smooth temporal continuity across frames in video synthesis. Our method effectively addresses the limitations of traditional numerical solutions in handling ill-posed mappings, producing realistic and animatable 3D human avatars. Experimental results demonstrate that 3D^2-Actor excels in high-fidelity avatar modeling and robustly generalizes to novel poses. Code is available at: https://github.com/silence-tang/GaussianActor.

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.

FashionR2R: Texture-preserving Rendered-to-Real Image Translation with Diffusion Models

Modeling and producing lifelike clothed human images has attracted researchers' attention from different areas for decades, with the complexity from highly articulated and structured content. Rendering algorithms decompose and simulate the imaging process of a camera, while are limited by the accuracy of modeled variables and the efficiency of computation. Generative models can produce impressively vivid human images, however still lacking in controllability and editability. This paper studies photorealism enhancement of rendered images, leveraging generative power from diffusion models on the controlled basis of rendering. We introduce a novel framework to translate rendered images into their realistic counterparts, which consists of two stages: Domain Knowledge Injection (DKI) and Realistic Image Generation (RIG). In DKI, we adopt positive (real) domain finetuning and negative (rendered) domain embedding to inject knowledge into a pretrained Text-to-image (T2I) diffusion model. In RIG, we generate the realistic image corresponding to the input rendered image, with a Texture-preserving Attention Control (TAC) to preserve fine-grained clothing textures, exploiting the decoupled features encoded in the UNet structure. Additionally, we introduce SynFashion dataset, featuring high-quality digital clothing images with diverse textures. Extensive experimental results demonstrate the superiority and effectiveness of our method in rendered-to-real image translation.

MMAR: Towards Lossless Multi-Modal Auto-Regressive Probabilistic Modeling

Recent advancements in multi-modal large language models have propelled the development of joint probabilistic models capable of both image understanding and generation. However, we have identified that recent methods inevitably suffer from loss of image information during understanding task, due to either image discretization or diffusion denoising steps. To address this issue, we propose a novel Multi-Modal Auto-Regressive (MMAR) probabilistic modeling framework. Unlike discretization line of method, MMAR takes in continuous-valued image tokens to avoid information loss. Differing from diffusion-based approaches, we disentangle the diffusion process from auto-regressive backbone model by employing a light-weight diffusion head on top each auto-regressed image patch embedding. In this way, when the model transits from image generation to understanding through text generation, the backbone model's hidden representation of the image is not limited to the last denoising step. To successfully train our method, we also propose a theoretically proven technique that addresses the numerical stability issue and a training strategy that balances the generation and understanding task goals. Through extensive evaluations on 18 image understanding benchmarks, MMAR demonstrates much more superior performance than other joint multi-modal models, matching the method that employs pretrained CLIP vision encoder, meanwhile being able to generate high quality images at the same time. We also showed that our method is scalable with larger data and model size.

Causal Diffusion Autoencoders: Toward Counterfactual Generation via Diffusion Probabilistic Models

Diffusion probabilistic models (DPMs) have become the state-of-the-art in high-quality image generation. However, DPMs have an arbitrary noisy latent space with no interpretable or controllable semantics. Although there has been significant research effort to improve image sample quality, there is little work on representation-controlled generation using diffusion models. Specifically, causal modeling and controllable counterfactual generation using DPMs is an underexplored area. In this work, we propose CausalDiffAE, a diffusion-based causal representation learning framework to enable counterfactual generation according to a specified causal model. Our key idea is to use an encoder to extract high-level semantically meaningful causal variables from high-dimensional data and model stochastic variation using reverse diffusion. We propose a causal encoding mechanism that maps high-dimensional data to causally related latent factors and parameterize the causal mechanisms among latent factors using neural networks. To enforce the disentanglement of causal variables, we formulate a variational objective and leverage auxiliary label information in a prior to regularize the latent space. We propose a DDIM-based counterfactual generation procedure subject to do-interventions. Finally, to address the limited label supervision scenario, we also study the application of CausalDiffAE when a part of the training data is unlabeled, which also enables granular control over the strength of interventions in generating counterfactuals during inference. We empirically show that CausalDiffAE learns a disentangled latent space and is capable of generating high-quality counterfactual images.

Scalable Diffusion for Materials Generation

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials. Traditionally, models with explicit structures (e.g., graphs) have been used in modeling structural relationships in scientific data (e.g., atoms and bonds in crystals), but generating structures can be difficult to scale to large and complex systems. Another challenge in generating materials is the mismatch between standard generative modeling metrics and downstream applications. For instance, common metrics such as the reconstruction error do not correlate well with the downstream goal of discovering stable materials. In this work, we tackle the scalability challenge by developing a unified crystal representation that can represent any crystal structure (UniMat), followed by training a diffusion probabilistic model on these UniMat representations. Our empirical results suggest that despite the lack of explicit structure modeling, UniMat can generate high fidelity crystal structures from larger and more complex chemical systems, outperforming previous graph-based approaches under various generative modeling metrics. To better connect the generation quality of materials to downstream applications, such as discovering novel stable materials, we propose additional metrics for evaluating generative models of materials, including per-composition formation energy and stability with respect to convex hulls through decomposition energy from Density Function Theory (DFT). Lastly, we show that conditional generation with UniMat can scale to previously established crystal datasets with up to millions of crystals structures, outperforming random structure search (the current leading method for structure discovery) in discovering new stable materials.

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.

DPLM-2: A Multimodal Diffusion Protein Language Model

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates a multimodal approach to simultaneously model, understand, and generate both sequences and structures. However, existing methods typically use separate models for each modality, limiting their ability to capture the intricate relationships between sequence and structure. This results in suboptimal performance in tasks that requires joint understanding and generation of both modalities. In this paper, we introduce DPLM-2, a multimodal protein foundation model that extends discrete diffusion protein language model (DPLM) to accommodate both sequences and structures. To enable structural learning with the language model, 3D coordinates are converted to discrete tokens using a lookup-free quantization-based tokenizer. By training on both experimental and high-quality synthetic structures, DPLM-2 learns the joint distribution of sequence and structure, as well as their marginals and conditionals. We also implement an efficient warm-up strategy to exploit the connection between large-scale evolutionary data and structural inductive biases from pre-trained sequence-based protein language models. Empirical evaluation shows that DPLM-2 can simultaneously generate highly compatible amino acid sequences and their corresponding 3D structures eliminating the need for a two-stage generation approach. Moreover, DPLM-2 demonstrates competitive performance in various conditional generation tasks, including folding, inverse folding, and scaffolding with multimodal motif inputs, as well as providing structure-aware representations for predictive tasks.

PSHuman: Photorealistic Single-view Human Reconstruction using Cross-Scale Diffusion

Detailed and photorealistic 3D human modeling is essential for various applications and has seen tremendous progress. However, full-body reconstruction from a monocular RGB image remains challenging due to the ill-posed nature of the problem and sophisticated clothing topology with self-occlusions. In this paper, we propose PSHuman, a novel framework that explicitly reconstructs human meshes utilizing priors from the multiview diffusion model. It is found that directly applying multiview diffusion on single-view human images leads to severe geometric distortions, especially on generated faces. To address it, we propose a cross-scale diffusion that models the joint probability distribution of global full-body shape and local facial characteristics, enabling detailed and identity-preserved novel-view generation without any geometric distortion. Moreover, to enhance cross-view body shape consistency of varied human poses, we condition the generative model on parametric models like SMPL-X, which provide body priors and prevent unnatural views inconsistent with human anatomy. Leveraging the generated multi-view normal and color images, we present SMPLX-initialized explicit human carving to recover realistic textured human meshes efficiently. Extensive experimental results and quantitative evaluations on CAPE and THuman2.1 datasets demonstrate PSHumans superiority in geometry details, texture fidelity, and generalization capability.

TRADES: Generating Realistic Market Simulations with Diffusion Models

Financial markets are complex systems characterized by high statistical noise, nonlinearity, and constant evolution. Thus, modeling them is extremely hard. We address the task of generating realistic and responsive Limit Order Book (LOB) market simulations, which are fundamental for calibrating and testing trading strategies, performing market impact experiments, and generating synthetic market data. Previous works lack realism, usefulness, and responsiveness of the generated simulations. To bridge this gap, we propose a novel TRAnsformer-based Denoising Diffusion Probabilistic Engine for LOB Simulations (TRADES). TRADES generates realistic order flows conditioned on the state of the market, leveraging a transformer-based architecture that captures the temporal and spatial characteristics of high-frequency market data. There is a notable absence of quantitative metrics for evaluating generative market simulation models in the literature. To tackle this problem, we adapt the predictive score, a metric measured as an MAE, by training a stock price predictive model on synthetic data and testing it on real data. We compare TRADES with previous works on two stocks, reporting an x3.27 and x3.47 improvement over SoTA according to the predictive score, demonstrating that we generate useful synthetic market data for financial downstream tasks. We assess TRADES's market simulation realism and responsiveness, showing that it effectively learns the conditional data distribution and successfully reacts to an experimental agent, giving sprout to possible calibrations and evaluations of trading strategies and market impact experiments. We developed DeepMarket, the first open-source Python framework for market simulation with deep learning. Our repository includes a synthetic LOB dataset composed of TRADES's generates simulations. We release the code at github.com/LeonardoBerti00/DeepMarket.

DiffGraph: Heterogeneous Graph Diffusion Model

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling heterogeneous interactions, two fundamental challenges persist: noisy data significantly compromising embedding quality and learning performance, and existing methods' inability to capture intricate semantic transitions among heterogeneous relations, which impacts downstream predictions. To address these fundamental issues, we present the Heterogeneous Graph Diffusion Model (DiffGraph), a pioneering framework that introduces an innovative cross-view denoising strategy. This advanced approach transforms auxiliary heterogeneous data into target semantic spaces, enabling precise distillation of task-relevant information. At its core, DiffGraph features a sophisticated latent heterogeneous graph diffusion mechanism, implementing a novel forward and backward diffusion process for superior noise management. This methodology achieves simultaneous heterogeneous graph denoising and cross-type transition, while significantly simplifying graph generation through its latent-space diffusion capabilities. Through rigorous experimental validation on both public and industrial datasets, we demonstrate that DiffGraph consistently surpasses existing methods in link prediction and node classification tasks, establishing new benchmarks for robustness and efficiency in heterogeneous graph processing. The model implementation is publicly available at: https://github.com/HKUDS/DiffGraph.

LaVin-DiT: Large Vision Diffusion Transformer

This paper presents the Large Vision Diffusion Transformer (LaVin-DiT), a scalable and unified foundation model designed to tackle over 20 computer vision tasks in a generative framework. Unlike existing large vision models directly adapted from natural language processing architectures, which rely on less efficient autoregressive techniques and disrupt spatial relationships essential for vision data, LaVin-DiT introduces key innovations to optimize generative performance for vision tasks. First, to address the high dimensionality of visual data, we incorporate a spatial-temporal variational autoencoder that encodes data into a continuous latent space. Second, for generative modeling, we develop a joint diffusion transformer that progressively produces vision outputs. Third, for unified multi-task training, in-context learning is implemented. Input-target pairs serve as task context, which guides the diffusion transformer to align outputs with specific tasks within the latent space. During inference, a task-specific context set and test data as queries allow LaVin-DiT to generalize across tasks without fine-tuning. Trained on extensive vision datasets, the model is scaled from 0.1B to 3.4B parameters, demonstrating substantial scalability and state-of-the-art performance across diverse vision tasks. This work introduces a novel pathway for large vision foundation models, underscoring the promising potential of diffusion transformers. The code and models will be open-sourced.

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.

Diffusion Models as Optimizers for Efficient Planning in Offline RL

Diffusion models have shown strong competitiveness in offline reinforcement learning tasks by formulating decision-making as sequential generation. However, the practicality of these methods is limited due to the lengthy inference processes they require. In this paper, we address this problem by decomposing the sampling process of diffusion models into two decoupled subprocesses: 1) generating a feasible trajectory, which is a time-consuming process, and 2) optimizing the trajectory. With this decomposition approach, we are able to partially separate efficiency and quality factors, enabling us to simultaneously gain efficiency advantages and ensure quality assurance. We propose the Trajectory Diffuser, which utilizes a faster autoregressive model to handle the generation of feasible trajectories while retaining the trajectory optimization process of diffusion models. This allows us to achieve more efficient planning without sacrificing capability. To evaluate the effectiveness and efficiency of the Trajectory Diffuser, we conduct experiments on the D4RL benchmarks. The results demonstrate that our method achieves it 3-it 10 times faster inference speed compared to previous sequence modeling methods, while also outperforming them in terms of overall performance. https://github.com/RenMing-Huang/TrajectoryDiffuser Keywords: Reinforcement Learning and Efficient Planning and Diffusion Model

DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization

Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling the target-ligand distribution can hardly fulfill one of the main goals in drug discovery -- designing novel ligands with desired properties, e.g., high binding affinity, easily synthesizable, etc. This challenge becomes particularly pronounced when the target-ligand pairs used for training do not align with these desired properties. Moreover, most existing methods aim at solving de novo design task, while many generative scenarios requiring flexible controllability, such as R-group optimization and scaffold hopping, have received little attention. In this work, we propose DecompOpt, a structure-based molecular optimization method based on a controllable and decomposed diffusion model. DecompOpt presents a new generation paradigm which combines optimization with conditional diffusion models to achieve desired properties while adhering to the molecular grammar. Additionally, DecompOpt offers a unified framework covering both de novo design and controllable generation. To achieve so, ligands are decomposed into substructures which allows fine-grained control and local optimization. Experiments show that DecompOpt can efficiently generate molecules with improved properties than strong de novo baselines, and demonstrate great potential in controllable generation tasks.

SADM: Sequence-Aware Diffusion Model for Longitudinal Medical Image Generation

Human organs constantly undergo anatomical changes due to a complex mix of short-term (e.g., heartbeat) and long-term (e.g., aging) factors. Evidently, prior knowledge of these factors will be beneficial when modeling their future state, i.e., via image generation. However, most of the medical image generation tasks only rely on the input from a single image, thus ignoring the sequential dependency even when longitudinal data is available. Sequence-aware deep generative models, where model input is a sequence of ordered and timestamped images, are still underexplored in the medical imaging domain that is featured by several unique challenges: 1) Sequences with various lengths; 2) Missing data or frame, and 3) High dimensionality. To this end, we propose a sequence-aware diffusion model (SADM) for the generation of longitudinal medical images. Recently, diffusion models have shown promising results in high-fidelity image generation. Our method extends this new technique by introducing a sequence-aware transformer as the conditional module in a diffusion model. The novel design enables learning longitudinal dependency even with missing data during training and allows autoregressive generation of a sequence of images during inference. Our extensive experiments on 3D longitudinal medical images demonstrate the effectiveness of SADM compared with baselines and alternative methods. The code is available at https://github.com/ubc-tea/SADM-Longitudinal-Medical-Image-Generation.

MIMO: Controllable Character Video Synthesis with Spatial Decomposed Modeling

Character video synthesis aims to produce realistic videos of animatable characters within lifelike scenes. As a fundamental problem in the computer vision and graphics community, 3D works typically require multi-view captures for per-case training, which severely limits their applicability of modeling arbitrary characters in a short time. Recent 2D methods break this limitation via pre-trained diffusion models, but they struggle for pose generality and scene interaction. To this end, we propose MIMO, a novel framework which can not only synthesize character videos with controllable attributes (i.e., character, motion and scene) provided by simple user inputs, but also simultaneously achieve advanced scalability to arbitrary characters, generality to novel 3D motions, and applicability to interactive real-world scenes in a unified framework. The core idea is to encode the 2D video to compact spatial codes, considering the inherent 3D nature of video occurrence. Concretely, we lift the 2D frame pixels into 3D using monocular depth estimators, and decompose the video clip to three spatial components (i.e., main human, underlying scene, and floating occlusion) in hierarchical layers based on the 3D depth. These components are further encoded to canonical identity code, structured motion code and full scene code, which are utilized as control signals of synthesis process. The design of spatial decomposed modeling enables flexible user control, complex motion expression, as well as 3D-aware synthesis for scene interactions. Experimental results demonstrate effectiveness and robustness of the proposed method.

Weak-to-Strong Diffusion with Reflection

The goal of diffusion generative models is to align the learned distribution with the real data distribution through gradient score matching. However, inherent limitations in training data quality, modeling strategies, and architectural design lead to inevitable gap between generated outputs and real data. To reduce this gap, we propose Weak-to-Strong Diffusion (W2SD), a novel framework that utilizes the estimated difference between existing weak and strong models (i.e., weak-to-strong difference) to approximate the gap between an ideal model and a strong model. By employing a reflective operation that alternates between denoising and inversion with weak-to-strong difference, we theoretically understand that W2SD steers latent variables along sampling trajectories toward regions of the real data distribution. W2SD is highly flexible and broadly applicable, enabling diverse improvements through the strategic selection of weak-to-strong model pairs (e.g., DreamShaper vs. SD1.5, good experts vs. bad experts in MoE). Extensive experiments demonstrate that W2SD significantly improves human preference, aesthetic quality, and prompt adherence, achieving SOTA performance across various modalities (e.g., image, video), architectures (e.g., UNet-based, DiT-based, MoE), and benchmarks. For example, Juggernaut-XL with W2SD can improve with the HPSv2 winning rate up to 90% over the original results. Moreover, the performance gains achieved by W2SD markedly outweigh its additional computational overhead, while the cumulative improvements from different weak-to-strong difference further solidify its practical utility and deployability.

4Diffusion: Multi-view Video Diffusion Model for 4D Generation

Current 4D generation methods have achieved noteworthy efficacy with the aid of advanced diffusion generative models. However, these methods lack multi-view spatial-temporal modeling and encounter challenges in integrating diverse prior knowledge from multiple diffusion models, resulting in inconsistent temporal appearance and flickers. In this paper, we propose a novel 4D generation pipeline, namely 4Diffusion aimed at generating spatial-temporally consistent 4D content from a monocular video. We first design a unified diffusion model tailored for multi-view video generation by incorporating a learnable motion module into a frozen 3D-aware diffusion model to capture multi-view spatial-temporal correlations. After training on a curated dataset, our diffusion model acquires reasonable temporal consistency and inherently preserves the generalizability and spatial consistency of the 3D-aware diffusion model. Subsequently, we propose 4D-aware Score Distillation Sampling loss, which is based on our multi-view video diffusion model, to optimize 4D representation parameterized by dynamic NeRF. This aims to eliminate discrepancies arising from multiple diffusion models, allowing for generating spatial-temporally consistent 4D content. Moreover, we devise an anchor loss to enhance the appearance details and facilitate the learning of dynamic NeRF. Extensive qualitative and quantitative experiments demonstrate that our method achieves superior performance compared to previous methods.

Ouroboros-Diffusion: Exploring Consistent Content Generation in Tuning-free Long Video Diffusion

The first-in-first-out (FIFO) video diffusion, built on a pre-trained text-to-video model, has recently emerged as an effective approach for tuning-free long video generation. This technique maintains a queue of video frames with progressively increasing noise, continuously producing clean frames at the queue's head while Gaussian noise is enqueued at the tail. However, FIFO-Diffusion often struggles to keep long-range temporal consistency in the generated videos due to the lack of correspondence modeling across frames. In this paper, we propose Ouroboros-Diffusion, a novel video denoising framework designed to enhance structural and content (subject) consistency, enabling the generation of consistent videos of arbitrary length. Specifically, we introduce a new latent sampling technique at the queue tail to improve structural consistency, ensuring perceptually smooth transitions among frames. To enhance subject consistency, we devise a Subject-Aware Cross-Frame Attention (SACFA) mechanism, which aligns subjects across frames within short segments to achieve better visual coherence. Furthermore, we introduce self-recurrent guidance. This technique leverages information from all previous cleaner frames at the front of the queue to guide the denoising of noisier frames at the end, fostering rich and contextual global information interaction. Extensive experiments of long video generation on the VBench benchmark demonstrate the superiority of our Ouroboros-Diffusion, particularly in terms of subject consistency, motion smoothness, and temporal consistency.

MagicProp: Diffusion-based Video Editing via Motion-aware Appearance Propagation

This paper addresses the issue of modifying the visual appearance of videos while preserving their motion. A novel framework, named MagicProp, is proposed, which disentangles the video editing process into two stages: appearance editing and motion-aware appearance propagation. In the first stage, MagicProp selects a single frame from the input video and applies image-editing techniques to modify the content and/or style of the frame. The flexibility of these techniques enables the editing of arbitrary regions within the frame. In the second stage, MagicProp employs the edited frame as an appearance reference and generates the remaining frames using an autoregressive rendering approach. To achieve this, a diffusion-based conditional generation model, called PropDPM, is developed, which synthesizes the target frame by conditioning on the reference appearance, the target motion, and its previous appearance. The autoregressive editing approach ensures temporal consistency in the resulting videos. Overall, MagicProp combines the flexibility of image-editing techniques with the superior temporal consistency of autoregressive modeling, enabling flexible editing of object types and aesthetic styles in arbitrary regions of input videos while maintaining good temporal consistency across frames. Extensive experiments in various video editing scenarios demonstrate the effectiveness of MagicProp.

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.

MotionAura: Generating High-Quality and Motion Consistent Videos using Discrete Diffusion

The spatio-temporal complexity of video data presents significant challenges in tasks such as compression, generation, and inpainting. We present four key contributions to address the challenges of spatiotemporal video processing. First, we introduce the 3D Mobile Inverted Vector-Quantization Variational Autoencoder (3D-MBQ-VAE), which combines Variational Autoencoders (VAEs) with masked token modeling to enhance spatiotemporal video compression. The model achieves superior temporal consistency and state-of-the-art (SOTA) reconstruction quality by employing a novel training strategy with full frame masking. Second, we present MotionAura, a text-to-video generation framework that utilizes vector-quantized diffusion models to discretize the latent space and capture complex motion dynamics, producing temporally coherent videos aligned with text prompts. Third, we propose a spectral transformer-based denoising network that processes video data in the frequency domain using the Fourier Transform. This method effectively captures global context and long-range dependencies for high-quality video generation and denoising. Lastly, we introduce a downstream task of Sketch Guided Video Inpainting. This task leverages Low-Rank Adaptation (LoRA) for parameter-efficient fine-tuning. Our models achieve SOTA performance on a range of benchmarks. Our work offers robust frameworks for spatiotemporal modeling and user-driven video content manipulation. We will release the code, datasets, and models in open-source.

MusicScore: A Dataset for Music Score Modeling and Generation

Music scores are written representations of music and contain rich information about musical components. The visual information on music scores includes notes, rests, staff lines, clefs, dynamics, and articulations. This visual information in music scores contains more semantic information than audio and symbolic representations of music. Previous music score datasets have limited sizes and are mainly designed for optical music recognition (OMR). There is a lack of research on creating a large-scale benchmark dataset for music modeling and generation. In this work, we propose MusicScore, a large-scale music score dataset collected and processed from the International Music Score Library Project (IMSLP). MusicScore consists of image-text pairs, where the image is a page of a music score and the text is the metadata of the music. The metadata of MusicScore is extracted from the general information section of the IMSLP pages. The metadata includes rich information about the composer, instrument, piece style, and genre of the music pieces. MusicScore is curated into small, medium, and large scales of 400, 14k, and 200k image-text pairs with varying diversity, respectively. We build a score generation system based on a UNet diffusion model to generate visually readable music scores conditioned on text descriptions to benchmark the MusicScore dataset for music score generation. MusicScore is released to the public at https://huggingface.co/datasets/ZheqiDAI/MusicScore.

Diffusion Model for Dense Matching

The objective for establishing dense correspondence between paired images consists of two terms: a data term and a prior term. While conventional techniques focused on defining hand-designed prior terms, which are difficult to formulate, recent approaches have focused on learning the data term with deep neural networks without explicitly modeling the prior, assuming that the model itself has the capacity to learn an optimal prior from a large-scale dataset. The performance improvement was obvious, however, they often fail to address inherent ambiguities of matching, such as textureless regions, repetitive patterns, and large displacements. To address this, we propose DiffMatch, a novel conditional diffusion-based framework designed to explicitly model both the data and prior terms. Unlike previous approaches, this is accomplished by leveraging a conditional denoising diffusion model. DiffMatch consists of two main components: conditional denoising diffusion module and cost injection module. We stabilize the training process and reduce memory usage with a stage-wise training strategy. Furthermore, to boost performance, we introduce an inference technique that finds a better path to the accurate matching field. Our experimental results demonstrate significant performance improvements of our method over existing approaches, and the ablation studies validate our design choices along with the effectiveness of each component. Project page is available at https://ku-cvlab.github.io/DiffMatch/.

Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations

Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or cannot sufficiently model the complex dependency between nodes and edges, which is crucial for generating real-world graphs such as molecules. To overcome such limitations, we propose a novel score-based generative model for graphs with a continuous-time framework. Specifically, we propose a new graph diffusion process that models the joint distribution of the nodes and edges through a system of stochastic differential equations (SDEs). Then, we derive novel score matching objectives tailored for the proposed diffusion process to estimate the gradient of the joint log-density with respect to each component, and introduce a new solver for the system of SDEs to efficiently sample from the reverse diffusion process. We validate our graph generation method on diverse datasets, on which it either achieves significantly superior or competitive performance to the baselines. Further analysis shows that our method is able to generate molecules that lie close to the training distribution yet do not violate the chemical valency rule, demonstrating the effectiveness of the system of SDEs in modeling the node-edge relationships. Our code is available at https://github.com/harryjo97/GDSS.

DiffKG: Knowledge Graph Diffusion Model for Recommendation

Knowledge Graphs (KGs) have emerged as invaluable resources for enriching recommendation systems by providing a wealth of factual information and capturing semantic relationships among items. Leveraging KGs can significantly enhance recommendation performance. However, not all relations within a KG are equally relevant or beneficial for the target recommendation task. In fact, certain item-entity connections may introduce noise or lack informative value, thus potentially misleading our understanding of user preferences. To bridge this research gap, we propose a novel knowledge graph diffusion model for recommendation, referred to as DiffKG. Our framework integrates a generative diffusion model with a data augmentation paradigm, enabling robust knowledge graph representation learning. This integration facilitates a better alignment between knowledge-aware item semantics and collaborative relation modeling. Moreover, we introduce a collaborative knowledge graph convolution mechanism that incorporates collaborative signals reflecting user-item interaction patterns, guiding the knowledge graph diffusion process. We conduct extensive experiments on three publicly available datasets, consistently demonstrating the superiority of our DiffKG compared to various competitive baselines. We provide the source code repository of our proposed DiffKG model at the following link: https://github.com/HKUDS/DiffKG.

Efficient Generative Modeling with Residual Vector Quantization-Based Tokens

We explore the use of Residual Vector Quantization (RVQ) for high-fidelity generation in vector-quantized generative models. This quantization technique maintains higher data fidelity by employing more in-depth tokens. However, increasing the token number in generative models leads to slower inference speeds. To this end, we introduce ResGen, an efficient RVQ-based discrete diffusion model that generates high-fidelity samples without compromising sampling speed. Our key idea is a direct prediction of vector embedding of collective tokens rather than individual ones. Moreover, we demonstrate that our proposed token masking and multi-token prediction method can be formulated within a principled probabilistic framework using a discrete diffusion process 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 256x256 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. The project page can be found at https://resgen-genai.github.io

Divot: Diffusion Powers Video Tokenizer for Comprehension and Generation

In recent years, there has been a significant surge of interest in unifying image comprehension and generation within Large Language Models (LLMs). This growing interest has prompted us to explore extending this unification to videos. The core challenge lies in developing a versatile video tokenizer that captures both the spatial characteristics and temporal dynamics of videos to obtain representations for LLMs, and the representations can be further decoded into realistic video clips to enable video generation. In this work, we introduce Divot, a Diffusion-Powered Video Tokenizer, which leverages the diffusion process for self-supervised video representation learning. We posit that if a video diffusion model can effectively de-noise video clips by taking the features of a video tokenizer as the condition, then the tokenizer has successfully captured robust spatial and temporal information. Additionally, the video diffusion model inherently functions as a de-tokenizer, decoding videos from their representations. Building upon the Divot tokenizer, we present Divot-Vicuna through video-to-text autoregression and text-to-video generation by modeling the distributions of continuous-valued Divot features with a Gaussian Mixture Model. Experimental results demonstrate that our diffusion-based video tokenizer, when integrated with a pre-trained LLM, achieves competitive performance across various video comprehension and generation benchmarks. The instruction tuned Divot-Vicuna also excels in video storytelling, generating interleaved narratives and corresponding videos.

Large Concept Models: Language Modeling in a Sentence Representation Space

LLMs have revolutionized the field of artificial intelligence and have emerged as the de-facto tool for many tasks. The current established technology of LLMs is to process input and generate output at the token level. This is in sharp contrast to humans who operate at multiple levels of abstraction, well beyond single words, to analyze information and to generate creative content. In this paper, we present an attempt at an architecture which operates on an explicit higher-level semantic representation, which we name a concept. Concepts are language- and modality-agnostic and represent a higher level idea or action in a flow. Hence, we build a "Large Concept Model". In this study, as proof of feasibility, we assume that a concept corresponds to a sentence, and use an existing sentence embedding space, SONAR, which supports up to 200 languages in both text and speech modalities. The Large Concept Model is trained to perform autoregressive sentence prediction in an embedding space. We explore multiple approaches, namely MSE regression, variants of diffusion-based generation, and models operating in a quantized SONAR space. These explorations are performed using 1.6B parameter models and training data in the order of 1.3T tokens. We then scale one architecture to a model size of 7B parameters and training data of about 2.7T tokens. We perform an experimental evaluation on several generative tasks, namely summarization and a new task of summary expansion. Finally, we show that our model exhibits impressive zero-shot generalization performance to many languages, outperforming existing LLMs of the same size. The training code of our models is freely available.

Stabilize the Latent Space for Image Autoregressive Modeling: A Unified Perspective

Latent-based image generative models, such as Latent Diffusion Models (LDMs) and Mask Image Models (MIMs), have achieved notable success in image generation tasks. These models typically leverage reconstructive autoencoders like VQGAN or VAE to encode pixels into a more compact latent space and learn the data distribution in the latent space instead of directly from pixels. However, this practice raises a pertinent question: Is it truly the optimal choice? In response, we begin with an intriguing observation: despite sharing the same latent space, autoregressive models significantly lag behind LDMs and MIMs in image generation. This finding contrasts sharply with the field of NLP, where the autoregressive model GPT has established a commanding presence. To address this discrepancy, we introduce a unified perspective on the relationship between latent space and generative models, emphasizing the stability of latent space in image generative modeling. Furthermore, we propose a simple but effective discrete image tokenizer to stabilize the latent space for image generative modeling. Experimental results show that image autoregressive modeling with our tokenizer (DiGIT) benefits both image understanding and image generation with the next token prediction principle, which is inherently straightforward for GPT models but challenging for other generative models. Remarkably, for the first time, a GPT-style autoregressive model for images outperforms LDMs, which also exhibits substantial improvement akin to GPT when scaling up model size. Our findings underscore the potential of an optimized latent space and the integration of discrete tokenization in advancing the capabilities of image generative models. The code is available at https://github.com/DAMO-NLP-SG/DiGIT.

Extrapolating and Decoupling Image-to-Video Generation Models: Motion Modeling is Easier Than You Think

Image-to-Video (I2V) generation aims to synthesize a video clip according to a given image and condition (e.g., text). The key challenge of this task lies in simultaneously generating natural motions while preserving the original appearance of the images. However, current I2V diffusion models (I2V-DMs) often produce videos with limited motion degrees or exhibit uncontrollable motion that conflicts with the textual condition. To address these limitations, we propose a novel Extrapolating and Decoupling framework, which introduces model merging techniques to the I2V domain for the first time. Specifically, our framework consists of three separate stages: (1) Starting with a base I2V-DM, we explicitly inject the textual condition into the temporal module using a lightweight, learnable adapter and fine-tune the integrated model to improve motion controllability. (2) We introduce a training-free extrapolation strategy to amplify the dynamic range of the motion, effectively reversing the fine-tuning process to enhance the motion degree significantly. (3) With the above two-stage models excelling in motion controllability and degree, we decouple the relevant parameters associated with each type of motion ability and inject them into the base I2V-DM. Since the I2V-DM handles different levels of motion controllability and dynamics at various denoising time steps, we adjust the motion-aware parameters accordingly over time. Extensive qualitative and quantitative experiments have been conducted to demonstrate the superiority of our framework over existing methods.

DiffDis: Empowering Generative Diffusion Model with Cross-Modal Discrimination Capability

Recently, large-scale diffusion models, e.g., Stable diffusion and DallE2, have shown remarkable results on image synthesis. On the other hand, large-scale cross-modal pre-trained models (e.g., CLIP, ALIGN, and FILIP) are competent for various downstream tasks by learning to align vision and language embeddings. In this paper, we explore the possibility of jointly modeling generation and discrimination. Specifically, we propose DiffDis to unify the cross-modal generative and discriminative pretraining into one single framework under the diffusion process. DiffDis first formulates the image-text discriminative problem as a generative diffusion process of the text embedding from the text encoder conditioned on the image. Then, we propose a novel dual-stream network architecture, which fuses the noisy text embedding with the knowledge of latent images from different scales for image-text discriminative learning. Moreover, the generative and discriminative tasks can efficiently share the image-branch network structure in the multi-modality model. Benefiting from diffusion-based unified training, DiffDis achieves both better generation ability and cross-modal semantic alignment in one architecture. Experimental results show that DiffDis outperforms single-task models on both the image generation and the image-text discriminative tasks, e.g., 1.65% improvement on average accuracy of zero-shot classification over 12 datasets and 2.42 improvement on FID of zero-shot image synthesis.

Modeling and design of heterogeneous hierarchical bioinspired spider web structures using generative deep learning and additive manufacturing

Spider webs are incredible biological structures, comprising thin but strong silk filament and arranged into complex hierarchical architectures with striking mechanical properties (e.g., lightweight but high strength, achieving diverse mechanical responses). While simple 2D orb webs can easily be mimicked, the modeling and synthesis of 3D-based web structures remain challenging, partly due to the rich set of design features. Here we provide a detailed analysis of the heterogenous graph structures of spider webs, and use deep learning as a way to model and then synthesize artificial, bio-inspired 3D web structures. The generative AI models are conditioned based on key geometric parameters (including average edge length, number of nodes, average node degree, and others). To identify graph construction principles, we use inductive representation sampling of large experimentally determined spider web graphs, to yield a dataset that is used to train three conditional generative models: 1) An analog diffusion model inspired by nonequilibrium thermodynamics, with sparse neighbor representation, 2) a discrete diffusion model with full neighbor representation, and 3) an autoregressive transformer architecture with full neighbor representation. All three models are scalable, produce complex, de novo bio-inspired spider web mimics, and successfully construct graphs that meet the design objectives. We further propose algorithm that assembles web samples produced by the generative models into larger-scale structures based on a series of geometric design targets, including helical and parametric shapes, mimicking, and extending natural design principles towards integration with diverging engineering objectives. Several webs are manufactured using 3D printing and tested to assess mechanical properties.

An Overview of Diffusion Models: Applications, Guided Generation, Statistical Rates and Optimization

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible high-dimensional data modeling, and act as a sampler for generating new samples under active guidance towards task-desired properties. Despite the significant empirical success, theory of diffusion models is very limited, potentially slowing down principled methodological innovations for further harnessing and improving diffusion models. In this paper, we review emerging applications of diffusion models, understanding their sample generation under various controls. Next, we overview the existing theories of diffusion models, covering their statistical properties and sampling capabilities. We adopt a progressive routine, beginning with unconditional diffusion models and connecting to conditional counterparts. Further, we review a new avenue in high-dimensional structured optimization through conditional diffusion models, where searching for solutions is reformulated as a conditional sampling problem and solved by diffusion models. Lastly, we discuss future directions about diffusion models. The purpose of this paper is to provide a well-rounded theoretical exposure for stimulating forward-looking theories and methods of diffusion models.

DiffDub: Person-generic Visual Dubbing Using Inpainting Renderer with Diffusion Auto-encoder

Generating high-quality and person-generic visual dubbing remains a challenge. Recent innovation has seen the advent of a two-stage paradigm, decoupling the rendering and lip synchronization process facilitated by intermediate representation as a conduit. Still, previous methodologies rely on rough landmarks or are confined to a single speaker, thus limiting their performance. In this paper, we propose DiffDub: Diffusion-based dubbing. We first craft the Diffusion auto-encoder by an inpainting renderer incorporating a mask to delineate editable zones and unaltered regions. This allows for seamless filling of the lower-face region while preserving the remaining parts. Throughout our experiments, we encountered several challenges. Primarily, the semantic encoder lacks robustness, constricting its ability to capture high-level features. Besides, the modeling ignored facial positioning, causing mouth or nose jitters across frames. To tackle these issues, we employ versatile strategies, including data augmentation and supplementary eye guidance. Moreover, we encapsulated a conformer-based reference encoder and motion generator fortified by a cross-attention mechanism. This enables our model to learn person-specific textures with varying references and reduces reliance on paired audio-visual data. Our rigorous experiments comprehensively highlight that our ground-breaking approach outpaces existing methods with considerable margins and delivers seamless, intelligible videos in person-generic and multilingual scenarios.

Fast Sampling of Diffusion Models with Exponential Integrator

The past few years have witnessed the great success of Diffusion models~(DMs) in generating high-fidelity samples in generative modeling tasks. A major limitation of the DM is its notoriously slow sampling procedure which normally requires hundreds to thousands of time discretization steps of the learned diffusion process to reach the desired accuracy. Our goal is to develop a fast sampling method for DMs with a much less number of steps while retaining high sample quality. To this end, we systematically analyze the sampling procedure in DMs and identify key factors that affect the sample quality, among which the method of discretization is most crucial. By carefully examining the learned diffusion process, we propose Diffusion Exponential Integrator Sampler~(DEIS). It is based on the Exponential Integrator designed for discretizing ordinary differential equations (ODEs) and leverages a semilinear structure of the learned diffusion process to reduce the discretization error. The proposed method can be applied to any DMs and can generate high-fidelity samples in as few as 10 steps. In our experiments, it takes about 3 minutes on one A6000 GPU to generate 50k images from CIFAR10. Moreover, by directly using pre-trained DMs, we achieve the state-of-art sampling performance when the number of score function evaluation~(NFE) is limited, e.g., 4.17 FID with 10 NFEs, 3.37 FID, and 9.74 IS with only 15 NFEs on CIFAR10. Code is available at https://github.com/qsh-zh/deis

Video Diffusion Models: A Survey

Diffusion generative models have recently become a powerful technique for creating and modifying high-quality, coherent video content. This survey provides a comprehensive overview of the critical components of diffusion models for video generation, including their applications, architectural design, and temporal dynamics modeling. The paper begins by discussing the core principles and mathematical formulations, then explores various architectural choices and methods for maintaining temporal consistency. A taxonomy of applications is presented, categorizing models based on input modalities such as text prompts, images, videos, and audio signals. Advancements in text-to-video generation are discussed to illustrate the state-of-the-art capabilities and limitations of current approaches. Additionally, the survey summarizes recent developments in training and evaluation practices, including the use of diverse video and image datasets and the adoption of various evaluation metrics to assess model performance. The survey concludes with an examination of ongoing challenges, such as generating longer videos and managing computational costs, and offers insights into potential future directions for the field. By consolidating the latest research and developments, this survey aims to serve as a valuable resource for researchers and practitioners working with video diffusion models. Website: https://github.com/ndrwmlnk/Awesome-Video-Diffusion-Models

Cross-Modal Contextualized Diffusion Models for Text-Guided Visual Generation and Editing

Conditional diffusion models have exhibited superior performance in high-fidelity text-guided visual generation and editing. Nevertheless, prevailing text-guided visual diffusion models primarily focus on incorporating text-visual relationships exclusively into the reverse process, often disregarding their relevance in the forward process. This inconsistency between forward and reverse processes may limit the precise conveyance of textual semantics in visual synthesis results. To address this issue, we propose a novel and general contextualized diffusion model (ContextDiff) by incorporating the cross-modal context encompassing interactions and alignments between text condition and visual sample into forward and reverse processes. We propagate this context to all timesteps in the two processes to adapt their trajectories, thereby facilitating cross-modal conditional modeling. We generalize our contextualized diffusion to both DDPMs and DDIMs with theoretical derivations, and demonstrate the effectiveness of our model in evaluations with two challenging tasks: text-to-image generation, and text-to-video editing. In each task, our ContextDiff achieves new state-of-the-art performance, significantly enhancing the semantic alignment between text condition and generated samples, as evidenced by quantitative and qualitative evaluations. Our code is available at https://github.com/YangLing0818/ContextDiff

Motion-I2V: Consistent and Controllable Image-to-Video Generation with Explicit Motion Modeling

We introduce Motion-I2V, a novel framework for consistent and controllable image-to-video generation (I2V). In contrast to previous methods that directly learn the complicated image-to-video mapping, Motion-I2V factorizes I2V into two stages with explicit motion modeling. For the first stage, we propose a diffusion-based motion field predictor, which focuses on deducing the trajectories of the reference image's pixels. For the second stage, we propose motion-augmented temporal attention to enhance the limited 1-D temporal attention in video latent diffusion models. This module can effectively propagate reference image's feature to synthesized frames with the guidance of predicted trajectories from the first stage. Compared with existing methods, Motion-I2V can generate more consistent videos even at the presence of large motion and viewpoint variation. By training a sparse trajectory ControlNet for the first stage, Motion-I2V can support users to precisely control motion trajectories and motion regions with sparse trajectory and region annotations. This offers more controllability of the I2V process than solely relying on textual instructions. Additionally, Motion-I2V's second stage naturally supports zero-shot video-to-video translation. Both qualitative and quantitative comparisons demonstrate the advantages of Motion-I2V over prior approaches in consistent and controllable image-to-video generation.

Qihoo-T2X: An Efficiency-Focused Diffusion Transformer via Proxy Tokens for Text-to-Any-Task

The global self-attention mechanism in diffusion transformers involves redundant computation due to the sparse and redundant nature of visual information, and the attention map of tokens within a spatial window shows significant similarity. To address this redundancy, we propose the Proxy Token Diffusion Transformer (PT-DiT), which employs sparse representative token attention (where the number of representative tokens is much smaller than the total number of tokens) to model global visual information efficiently. Specifically, in each transformer block, we randomly sample one token from each spatial-temporal window to serve as a proxy token for that region. The global semantics are captured through the self-attention of these proxy tokens and then injected into all latent tokens via cross-attention. Simultaneously, we introduce window and shift window attention to address the limitations in detail modeling caused by the sparse attention mechanism. Building on the well-designed PT-DiT, we further develop the Qihoo-T2X family, which includes a variety of models for T2I, T2V, and T2MV tasks. Experimental results show that PT-DiT achieves competitive performance while reducing the computational complexity in both image and video generation tasks (e.g., a 48% reduction compared to DiT and a 35% reduction compared to Pixart-alpha). Our source code is available at https://github.com/360CVGroup/Qihoo-T2X.

InstructVideo: Instructing Video Diffusion Models with Human Feedback

Diffusion models have emerged as the de facto paradigm for video generation. However, their reliance on web-scale data of varied quality often yields results that are visually unappealing and misaligned with the textual prompts. To tackle this problem, we propose InstructVideo to instruct text-to-video diffusion models with human feedback by reward fine-tuning. InstructVideo has two key ingredients: 1) To ameliorate the cost of reward fine-tuning induced by generating through the full DDIM sampling chain, we recast reward fine-tuning as editing. By leveraging the diffusion process to corrupt a sampled video, InstructVideo requires only partial inference of the DDIM sampling chain, reducing fine-tuning cost while improving fine-tuning efficiency. 2) To mitigate the absence of a dedicated video reward model for human preferences, we repurpose established image reward models, e.g., HPSv2. To this end, we propose Segmental Video Reward, a mechanism to provide reward signals based on segmental sparse sampling, and Temporally Attenuated Reward, a method that mitigates temporal modeling degradation during fine-tuning. Extensive experiments, both qualitative and quantitative, validate the practicality and efficacy of using image reward models in InstructVideo, significantly enhancing the visual quality of generated videos without compromising generalization capabilities. Code and models will be made publicly available.

DiffusionDrive: Truncated Diffusion Model for End-to-End Autonomous Driving

Recently, the diffusion model has emerged as a powerful generative technique for robotic policy learning, capable of modeling multi-mode action distributions. Leveraging its capability for end-to-end autonomous driving is a promising direction. However, the numerous denoising steps in the robotic diffusion policy and the more dynamic, open-world nature of traffic scenes pose substantial challenges for generating diverse driving actions at a real-time speed. To address these challenges, we propose a novel truncated diffusion policy that incorporates prior multi-mode anchors and truncates the diffusion schedule, enabling the model to learn denoising from anchored Gaussian distribution to the multi-mode driving action distribution. Additionally, we design an efficient cascade diffusion decoder for enhanced interaction with conditional scene context. The proposed model, DiffusionDrive, demonstrates 10times reduction in denoising steps compared to vanilla diffusion policy, delivering superior diversity and quality in just 2 steps. On the planning-oriented NAVSIM dataset, with the aligned ResNet-34 backbone, DiffusionDrive achieves 88.1 PDMS without bells and whistles, setting a new record, while running at a real-time speed of 45 FPS on an NVIDIA 4090. Qualitative results on challenging scenarios further confirm that DiffusionDrive can robustly generate diverse plausible driving actions. Code and model will be available at https://github.com/hustvl/DiffusionDrive.

SVGFusion: Scalable Text-to-SVG Generation via Vector Space Diffusion

The generation of Scalable Vector Graphics (SVG) assets from textual data remains a significant challenge, largely due to the scarcity of high-quality vector datasets and the limitations in scalable vector representations required for modeling intricate graphic distributions. This work introduces SVGFusion, a Text-to-SVG model capable of scaling to real-world SVG data without reliance on a text-based discrete language model or prolonged SDS optimization. The essence of SVGFusion is to learn a continuous latent space for vector graphics with a popular Text-to-Image framework. Specifically, SVGFusion consists of two modules: a Vector-Pixel Fusion Variational Autoencoder (VP-VAE) and a Vector Space Diffusion Transformer (VS-DiT). VP-VAE takes both the SVGs and corresponding rasterizations as inputs and learns a continuous latent space, whereas VS-DiT learns to generate a latent code within this space based on the text prompt. Based on VP-VAE, a novel rendering sequence modeling strategy is proposed to enable the latent space to embed the knowledge of construction logics in SVGs. This empowers the model to achieve human-like design capabilities in vector graphics, while systematically preventing occlusion in complex graphic compositions. Moreover, our SVGFusion's ability can be continuously improved by leveraging the scalability of the VS-DiT by adding more VS-DiT blocks. A large-scale SVG dataset is collected to evaluate the effectiveness of our proposed method. Extensive experimentation has confirmed the superiority of our SVGFusion over existing SVG generation methods, achieving enhanced quality and generalizability, thereby establishing a novel framework for SVG content creation. Code, model, and data will be released at: https://ximinng.github.io/SVGFusionProject/{https://ximinng.github.io/SVGFusionProject/}

FlexVAR: Flexible Visual Autoregressive Modeling without Residual Prediction

This work challenges the residual prediction paradigm in visual autoregressive modeling and presents FlexVAR, a new Flexible Visual AutoRegressive image generation paradigm. FlexVAR facilitates autoregressive learning with ground-truth prediction, enabling each step to independently produce plausible images. This simple, intuitive approach swiftly learns visual distributions and makes the generation process more flexible and adaptable. Trained solely on low-resolution images (leq 256px), FlexVAR can: (1) Generate images of various resolutions and aspect ratios, even exceeding the resolution of the training images. (2) Support various image-to-image tasks, including image refinement, in/out-painting, and image expansion. (3) Adapt to various autoregressive steps, allowing for faster inference with fewer steps or enhancing image quality with more steps. Our 1.0B model outperforms its VAR counterpart on the ImageNet 256times256 benchmark. Moreover, when zero-shot transfer the image generation process with 13 steps, the performance further improves to 2.08 FID, outperforming state-of-the-art autoregressive models AiM/VAR by 0.25/0.28 FID and popular diffusion models LDM/DiT by 1.52/0.19 FID, respectively. When transferring our 1.0B model to the ImageNet 512times512 benchmark in a zero-shot manner, FlexVAR achieves competitive results compared to the VAR 2.3B model, which is a fully supervised model trained at 512times512 resolution.

PrefPaint: Aligning Image Inpainting Diffusion Model with Human Preference

In this paper, we make the first attempt to align diffusion models for image inpainting with human aesthetic standards via a reinforcement learning framework, significantly improving the quality and visual appeal of inpainted images. Specifically, instead of directly measuring the divergence with paired images, we train a reward model with the dataset we construct, consisting of nearly 51,000 images annotated with human preferences. Then, we adopt a reinforcement learning process to fine-tune the distribution of a pre-trained diffusion model for image inpainting in the direction of higher reward. Moreover, we theoretically deduce the upper bound on the error of the reward model, which illustrates the potential confidence of reward estimation throughout the reinforcement alignment process, thereby facilitating accurate regularization. Extensive experiments on inpainting comparison and downstream tasks, such as image extension and 3D reconstruction, demonstrate the effectiveness of our approach, showing significant improvements in the alignment of inpainted images with human preference compared with state-of-the-art methods. This research not only advances the field of image inpainting but also provides a framework for incorporating human preference into the iterative refinement of generative models based on modeling reward accuracy, with broad implications for the design of visually driven AI applications. Our code and dataset are publicly available at https://prefpaint.github.io.

SpecMaskGIT: Masked Generative Modeling of Audio Spectrograms for Efficient Audio Synthesis and Beyond

Recent advances in generative models that iteratively synthesize audio clips sparked great success to text-to-audio synthesis (TTA), but with the cost of slow synthesis speed and heavy computation. Although there have been attempts to accelerate the iterative procedure, high-quality TTA systems remain inefficient due to hundreds of iterations required in the inference phase and large amount of model parameters. To address the challenges, we propose SpecMaskGIT, a light-weighted, efficient yet effective TTA model based on the masked generative modeling of spectrograms. First, SpecMaskGIT synthesizes a realistic 10s audio clip by less than 16 iterations, an order-of-magnitude less than previous iterative TTA methods.As a discrete model, SpecMaskGIT outperforms larger VQ-Diffusion and auto-regressive models in the TTA benchmark, while being real-time with only 4 CPU cores or even 30x faster with a GPU. Next, built upon a latent space of Mel-spectrogram, SpecMaskGIT has a wider range of applications (e.g., the zero-shot bandwidth extension) than similar methods built on the latent wave domain. Moreover, we interpret SpecMaskGIT as a generative extension to previous discriminative audio masked Transformers, and shed light on its audio representation learning potential. We hope our work inspires the exploration of masked audio modeling toward further diverse scenarios.

Generative Pre-Trained Diffusion Paradigm for Zero-Shot Time Series Forecasting

In recent years, generative pre-trained paradigms such as Large Language Models (LLMs) and Large Vision Models (LVMs) have achieved revolutionary advancements and widespread real-world applications. Particularly, the emergence of pre-trained LLMs-based temporal works, compared to previous deep model approaches, has demonstrated superior generalization and robustness, showcasing the potential of generative pre-trained paradigms as foundation models for time series. However, those LLMs-based works mainly focus on cross-modal research, i.e., leveraging the language capabilities of LLMs in time series contexts. Although they have achieved impressive performance, there still exist the issues of concept drift caused by differences in data distribution and inflexibility caused by misalignment of dimensions. To this end, inspired by recent work on LVMs, we reconsider the paradigm of time series modeling. In this paper, we comprehensively explore, for the first time, the effectiveness and superiority of the Generative Pre-trained Diffusion (GPD) paradigm in real-world multivariate time series forecasting (TSF). Specifically, to mitigate performance bias introduced by sophisticated networks, we propose a straightforward MLP diffusion network for unconditional modeling of time series. Then we employ a zero-shot and tuning-free method to predict (generate) future data using historical data as prompts. The GPD paradigm is established on the time series modality, effectively preventing the phenomenon of concept drift, and enabling flexible forecasting of arbitrary lengths. We demonstrate that the GPD paradigm achieves comprehensive performance and generalization comparable to current SOTA LLM-based and deep model paradigms on mainstream benchmarks and various TSF tasks. Extensive experiments validate the potential of the GPD paradigm and its assistance in future related research.

UniAnimate: Taming Unified Video Diffusion Models for Consistent Human Image Animation

Recent diffusion-based human image animation techniques have demonstrated impressive success in synthesizing videos that faithfully follow a given reference identity and a sequence of desired movement poses. Despite this, there are still two limitations: i) an extra reference model is required to align the identity image with the main video branch, which significantly increases the optimization burden and model parameters; ii) the generated video is usually short in time (e.g., 24 frames), hampering practical applications. To address these shortcomings, we present a UniAnimate framework to enable efficient and long-term human video generation. First, to reduce the optimization difficulty and ensure temporal coherence, we map the reference image along with the posture guidance and noise video into a common feature space by incorporating a unified video diffusion model. Second, we propose a unified noise input that supports random noised input as well as first frame conditioned input, which enhances the ability to generate long-term video. Finally, to further efficiently handle long sequences, we explore an alternative temporal modeling architecture based on state space model to replace the original computation-consuming temporal Transformer. Extensive experimental results indicate that UniAnimate achieves superior synthesis results over existing state-of-the-art counterparts in both quantitative and qualitative evaluations. Notably, UniAnimate can even generate highly consistent one-minute videos by iteratively employing the first frame conditioning strategy. Code and models will be publicly available. Project page: https://unianimate.github.io/.

LaDiC: Are Diffusion Models Really Inferior to Autoregressive Counterparts for Image-to-Text Generation?

Diffusion models have exhibited remarkable capabilities in text-to-image generation. However, their performance in image-to-text generation, specifically image captioning, has lagged behind Auto-Regressive (AR) models, casting doubt on their applicability for such tasks. In this work, we revisit diffusion models, highlighting their capacity for holistic context modeling and parallel decoding. With these benefits, diffusion models can alleviate the inherent limitations of AR methods, including their slow inference speed, error propagation, and unidirectional constraints. Furthermore, we identify the prior underperformance of diffusion models stemming from the absence of an effective latent space for image-text alignment, and the discrepancy between continuous diffusion processes and discrete textual data. In response, we introduce a novel architecture, LaDiC, which utilizes a split BERT to create a dedicated latent space for captions and integrates a regularization module to manage varying text lengths. Our framework also includes a diffuser for semantic image-to-text conversion and a Back&Refine technique to enhance token interactivity during inference. LaDiC achieves state-of-the-art performance for diffusion-based methods on the MS COCO dataset with 38.2 BLEU@4 and 126.2 CIDEr, demonstrating exceptional performance without pre-training or ancillary modules. This indicates strong competitiveness with AR models, revealing the previously untapped potential of diffusion models in image-to-text generation.

VaLID: Variable-Length Input Diffusion for Novel View Synthesis

Novel View Synthesis (NVS), which tries to produce a realistic image at the target view given source view images and their corresponding poses, is a fundamental problem in 3D Vision. As this task is heavily under-constrained, some recent work, like Zero123, tries to solve this problem with generative modeling, specifically using pre-trained diffusion models. Although this strategy generalizes well to new scenes, compared to neural radiance field-based methods, it offers low levels of flexibility. For example, it can only accept a single-view image as input, despite realistic applications often offering multiple input images. This is because the source-view images and corresponding poses are processed separately and injected into the model at different stages. Thus it is not trivial to generalize the model into multi-view source images, once they are available. To solve this issue, we try to process each pose image pair separately and then fuse them as a unified visual representation which will be injected into the model to guide image synthesis at the target-views. However, inconsistency and computation costs increase as the number of input source-view images increases. To solve these issues, the Multi-view Cross Former module is proposed which maps variable-length input data to fix-size output data. A two-stage training strategy is introduced to further improve the efficiency during training time. Qualitative and quantitative evaluation over multiple datasets demonstrates the effectiveness of the proposed method against previous approaches. The code will be released according to the acceptance.

Binary Latent Diffusion

In this paper, we show that a binary latent space can be explored for compact yet expressive image representations. We model the bi-directional mappings between an image and the corresponding latent binary representation by training an auto-encoder with a Bernoulli encoding distribution. On the one hand, the binary latent space provides a compact discrete image representation of which the distribution can be modeled more efficiently than pixels or continuous latent representations. On the other hand, we now represent each image patch as a binary vector instead of an index of a learned cookbook as in discrete image representations with vector quantization. In this way, we obtain binary latent representations that allow for better image quality and high-resolution image representations without any multi-stage hierarchy in the latent space. In this binary latent space, images can now be generated effectively using a binary latent diffusion model tailored specifically for modeling the prior over the binary image representations. We present both conditional and unconditional image generation experiments with multiple datasets, and show that the proposed method performs comparably to state-of-the-art methods while dramatically improving the sampling efficiency to as few as 16 steps without using any test-time acceleration. The proposed framework can also be seamlessly scaled to 1024 times 1024 high-resolution image generation without resorting to latent hierarchy or multi-stage refinements.

Compositional Visual Generation with Composable Diffusion Models

Large text-guided diffusion models, such as DALLE-2, are able to generate stunning photorealistic images given natural language descriptions. While such models are highly flexible, they struggle to understand the composition of certain concepts, such as confusing the attributes of different objects or relations between objects. In this paper, we propose an alternative structured approach for compositional generation using diffusion models. An image is generated by composing a set of diffusion models, with each of them modeling a certain component of the image. To do this, we interpret diffusion models as energy-based models in which the data distributions defined by the energy functions may be explicitly combined. The proposed method can generate scenes at test time that are substantially more complex than those seen in training, composing sentence descriptions, object relations, human facial attributes, and even generalizing to new combinations that are rarely seen in the real world. We further illustrate how our approach may be used to compose pre-trained text-guided diffusion models and generate photorealistic images containing all the details described in the input descriptions, including the binding of certain object attributes that have been shown difficult for DALLE-2. These results point to the effectiveness of the proposed method in promoting structured generalization for visual generation. Project page: https://energy-based-model.github.io/Compositional-Visual-Generation-with-Composable-Diffusion-Models/

DPM-OT: A New Diffusion Probabilistic Model Based on Optimal Transport

Sampling from diffusion probabilistic models (DPMs) can be viewed as a piecewise distribution transformation, which generally requires hundreds or thousands of steps of the inverse diffusion trajectory to get a high-quality image. Recent progress in designing fast samplers for DPMs achieves a trade-off between sampling speed and sample quality by knowledge distillation or adjusting the variance schedule or the denoising equation. However, it can't be optimal in both aspects and often suffer from mode mixture in short steps. To tackle this problem, we innovatively regard inverse diffusion as an optimal transport (OT) problem between latents at different stages and propose the DPM-OT, a unified learning framework for fast DPMs with a direct expressway represented by OT map, which can generate high-quality samples within around 10 function evaluations. By calculating the semi-discrete optimal transport map between the data latents and the white noise, we obtain an expressway from the prior distribution to the data distribution, while significantly alleviating the problem of mode mixture. In addition, we give the error bound of the proposed method, which theoretically guarantees the stability of the algorithm. Extensive experiments validate the effectiveness and advantages of DPM-OT in terms of speed and quality (FID and mode mixture), thus representing an efficient solution for generative modeling. Source codes are available at https://github.com/cognaclee/DPM-OT

CLEAR: Conv-Like Linearization Revs Pre-Trained Diffusion Transformers Up

Diffusion Transformers (DiT) have become a leading architecture in image generation. However, the quadratic complexity of attention mechanisms, which are responsible for modeling token-wise relationships, results in significant latency when generating high-resolution images. To address this issue, we aim at a linear attention mechanism in this paper that reduces the complexity of pre-trained DiTs to linear. We begin our exploration with a comprehensive summary of existing efficient attention mechanisms and identify four key factors crucial for successful linearization of pre-trained DiTs: locality, formulation consistency, high-rank attention maps, and feature integrity. Based on these insights, we introduce a convolution-like local attention strategy termed CLEAR, which limits feature interactions to a local window around each query token, and thus achieves linear complexity. Our experiments indicate that, by fine-tuning the attention layer on merely 10K self-generated samples for 10K iterations, we can effectively transfer knowledge from a pre-trained DiT to a student model with linear complexity, yielding results comparable to the teacher model. Simultaneously, it reduces attention computations by 99.5% and accelerates generation by 6.3 times for generating 8K-resolution images. Furthermore, we investigate favorable properties in the distilled attention layers, such as zero-shot generalization cross various models and plugins, and improved support for multi-GPU parallel inference. Models and codes are available here: https://github.com/Huage001/CLEAR.

RelaCtrl: Relevance-Guided Efficient Control for Diffusion Transformers

The Diffusion Transformer plays a pivotal role in advancing text-to-image and text-to-video generation, owing primarily to its inherent scalability. However, existing controlled diffusion transformer methods incur significant parameter and computational overheads and suffer from inefficient resource allocation due to their failure to account for the varying relevance of control information across different transformer layers. To address this, we propose the Relevance-Guided Efficient Controllable Generation framework, RelaCtrl, enabling efficient and resource-optimized integration of control signals into the Diffusion Transformer. First, we evaluate the relevance of each layer in the Diffusion Transformer to the control information by assessing the "ControlNet Relevance Score"-i.e., the impact of skipping each control layer on both the quality of generation and the control effectiveness during inference. Based on the strength of the relevance, we then tailor the positioning, parameter scale, and modeling capacity of the control layers to reduce unnecessary parameters and redundant computations. Additionally, to further improve efficiency, we replace the self-attention and FFN in the commonly used copy block with the carefully designed Two-Dimensional Shuffle Mixer (TDSM), enabling efficient implementation of both the token mixer and channel mixer. Both qualitative and quantitative experimental results demonstrate that our approach achieves superior performance with only 15% of the parameters and computational complexity compared to PixArt-delta. More examples are available at https://relactrl.github.io/RelaCtrl/.

UnlearnCanvas: A Stylized Image Dataset to Benchmark Machine Unlearning for Diffusion Models

The rapid advancement of diffusion models (DMs) has not only transformed various real-world industries but has also introduced negative societal concerns, including the generation of harmful content, copyright disputes, and the rise of stereotypes and biases. To mitigate these issues, machine unlearning (MU) has emerged as a potential solution, demonstrating its ability to remove undesired generative capabilities of DMs in various applications. However, by examining existing MU evaluation methods, we uncover several key challenges that can result in incomplete, inaccurate, or biased evaluations for MU in DMs. To address them, we enhance the evaluation metrics for MU, including the introduction of an often-overlooked retainability measurement for DMs post-unlearning. Additionally, we introduce UnlearnCanvas, a comprehensive high-resolution stylized image dataset that facilitates us to evaluate the unlearning of artistic painting styles in conjunction with associated image objects. We show that this dataset plays a pivotal role in establishing a standardized and automated evaluation framework for MU techniques on DMs, featuring 7 quantitative metrics to address various aspects of unlearning effectiveness. Through extensive experiments, we benchmark 5 state-of-the-art MU methods, revealing novel insights into their pros and cons, and the underlying unlearning mechanisms. Furthermore, we demonstrate the potential of UnlearnCanvas to benchmark other generative modeling tasks, such as style transfer. The UnlearnCanvas dataset, benchmark, and the codes to reproduce all the results in this work can be found at https://github.com/OPTML-Group/UnlearnCanvas.

TrackDiffusion: Tracklet-Conditioned Video Generation via Diffusion Models

Despite remarkable achievements in video synthesis, achieving granular control over complex dynamics, such as nuanced movement among multiple interacting objects, still presents a significant hurdle for dynamic world modeling, compounded by the necessity to manage appearance and disappearance, drastic scale changes, and ensure consistency for instances across frames. These challenges hinder the development of video generation that can faithfully mimic real-world complexity, limiting utility for applications requiring high-level realism and controllability, including advanced scene simulation and training of perception systems. To address that, we propose TrackDiffusion, a novel video generation framework affording fine-grained trajectory-conditioned motion control via diffusion models, which facilitates the precise manipulation of the object trajectories and interactions, overcoming the prevalent limitation of scale and continuity disruptions. A pivotal component of TrackDiffusion is the instance enhancer, which explicitly ensures inter-frame consistency of multiple objects, a critical factor overlooked in the current literature. Moreover, we demonstrate that generated video sequences by our TrackDiffusion can be used as training data for visual perception models. To the best of our knowledge, this is the first work to apply video diffusion models with tracklet conditions and demonstrate that generated frames can be beneficial for improving the performance of object trackers.

Realistic Speech-to-Face Generation with Speech-Conditioned Latent Diffusion Model with Face Prior

Speech-to-face generation is an intriguing area of research that focuses on generating realistic facial images based on a speaker's audio speech. However, state-of-the-art methods employing GAN-based architectures lack stability and cannot generate realistic face images. To fill this gap, we propose a novel speech-to-face generation framework, which leverages a Speech-Conditioned Latent Diffusion Model, called SCLDM. To the best of our knowledge, this is the first work to harness the exceptional modeling capabilities of diffusion models for speech-to-face generation. Preserving the shared identity information between speech and face is crucial in generating realistic results. Therefore, we employ contrastive pre-training for both the speech encoder and the face encoder. This pre-training strategy facilitates effective alignment between the attributes of speech, such as age and gender, and the corresponding facial characteristics in the face images. Furthermore, we tackle the challenge posed by excessive diversity in the synthesis process caused by the diffusion model. To overcome this challenge, we introduce the concept of residuals by integrating a statistical face prior to the diffusion process. This addition helps to eliminate the shared component across the faces and enhances the subtle variations captured by the speech condition. Extensive quantitative, qualitative, and user study experiments demonstrate that our method can produce more realistic face images while preserving the identity of the speaker better than state-of-the-art methods. Highlighting the notable enhancements, our method demonstrates significant gains in all metrics on the AVSpeech dataset and Voxceleb dataset, particularly noteworthy are the improvements of 32.17 and 32.72 on the cosine distance metric for the two datasets, respectively.

Empowering Dynamics-aware Text-to-Video Diffusion with Large Language Models

Text-to-video (T2V) synthesis has gained increasing attention in the community, in which the recently emerged diffusion models (DMs) have promisingly shown stronger performance than the past approaches. While existing state-of-the-art DMs are competent to achieve high-resolution video generation, they may largely suffer from key limitations (e.g., action occurrence disorders, crude video motions) with respect to the intricate temporal dynamics modeling, one of the crux of video synthesis. In this work, we investigate strengthening the awareness of video dynamics for DMs, for high-quality T2V generation. Inspired by human intuition, we design an innovative dynamic scene manager (dubbed as Dysen) module, which includes (step-1) extracting from input text the key actions with proper time-order arrangement, (step-2) transforming the action schedules into the dynamic scene graph (DSG) representations, and (step-3) enriching the scenes in the DSG with sufficient and reasonable details. Taking advantage of the existing powerful LLMs (e.g., ChatGPT) via in-context learning, Dysen realizes (nearly) human-level temporal dynamics understanding. Finally, the resulting video DSG with rich action scene details is encoded as fine-grained spatio-temporal features, integrated into the backbone T2V DM for video generating. Experiments on popular T2V datasets suggest that our framework consistently outperforms prior arts with significant margins, especially in the scenario with complex actions. Project page at https://haofei.vip/Dysen-VDM

M-VAR: Decoupled Scale-wise Autoregressive Modeling for High-Quality Image Generation

There exists recent work in computer vision, named VAR, that proposes a new autoregressive paradigm for image generation. Diverging from the vanilla next-token prediction, VAR structurally reformulates the image generation into a coarse to fine next-scale prediction. In this paper, we show that this scale-wise autoregressive framework can be effectively decoupled into intra-scale modeling, which captures local spatial dependencies within each scale, and inter-scale modeling, which models cross-scale relationships progressively from coarse-to-fine scales. This decoupling structure allows to rebuild VAR in a more computationally efficient manner. Specifically, for intra-scale modeling -- crucial for generating high-fidelity images -- we retain the original bidirectional self-attention design to ensure comprehensive modeling; for inter-scale modeling, which semantically connects different scales but is computationally intensive, we apply linear-complexity mechanisms like Mamba to substantially reduce computational overhead. We term this new framework M-VAR. Extensive experiments demonstrate that our method outperforms existing models in both image quality and generation speed. For example, our 1.5B model, with fewer parameters and faster inference speed, outperforms the largest VAR-d30-2B. Moreover, our largest model M-VAR-d32 impressively registers 1.78 FID on ImageNet 256times256 and outperforms the prior-art autoregressive models LlamaGen/VAR by 0.4/0.19 and popular diffusion models LDM/DiT by 1.82/0.49, respectively. Code is avaiable at https://github.com/OliverRensu/MVAR.

CoNo: Consistency Noise Injection for Tuning-free Long Video Diffusion

Tuning-free long video diffusion has been proposed to generate extended-duration videos with enriched content by reusing the knowledge from pre-trained short video diffusion model without retraining. However, most works overlook the fine-grained long-term video consistency modeling, resulting in limited scene consistency (i.e., unreasonable object or background transitions), especially with multiple text inputs. To mitigate this, we propose the Consistency Noise Injection, dubbed CoNo, which introduces the "look-back" mechanism to enhance the fine-grained scene transition between different video clips, and designs the long-term consistency regularization to eliminate the content shifts when extending video contents through noise prediction. In particular, the "look-back" mechanism breaks the noise scheduling process into three essential parts, where one internal noise prediction part is injected into two video-extending parts, intending to achieve a fine-grained transition between two video clips. The long-term consistency regularization focuses on explicitly minimizing the pixel-wise distance between the predicted noises of the extended video clip and the original one, thereby preventing abrupt scene transitions. Extensive experiments have shown the effectiveness of the above strategies by performing long-video generation under both single- and multi-text prompt conditions. The project has been available in https://wxrui182.github.io/CoNo.github.io/.

Enhancing Spatiotemporal Disease Progression Models via Latent Diffusion and Prior Knowledge

In this work, we introduce Brain Latent Progression (BrLP), a novel spatiotemporal disease progression model based on latent diffusion. BrLP is designed to predict the evolution of diseases at the individual level on 3D brain MRIs. Existing deep generative models developed for this task are primarily data-driven and face challenges in learning disease progressions. BrLP addresses these challenges by incorporating prior knowledge from disease models to enhance the accuracy of predictions. To implement this, we propose to integrate an auxiliary model that infers volumetric changes in various brain regions. Additionally, we introduce Latent Average Stabilization (LAS), a novel technique to improve spatiotemporal consistency of the predicted progression. BrLP is trained and evaluated on a large dataset comprising 11,730 T1-weighted brain MRIs from 2,805 subjects, collected from three publicly available, longitudinal Alzheimer's Disease (AD) studies. In our experiments, we compare the MRI scans generated by BrLP with the actual follow-up MRIs available from the subjects, in both cross-sectional and longitudinal settings. BrLP demonstrates significant improvements over existing methods, with an increase of 22% in volumetric accuracy across AD-related brain regions and 43% in image similarity to the ground-truth scans. The ability of BrLP to generate conditioned 3D scans at the subject level, along with the novelty of integrating prior knowledge to enhance accuracy, represents a significant advancement in disease progression modeling, opening new avenues for precision medicine. The code of BrLP is available at the following link: https://github.com/LemuelPuglisi/BrLP.

BOOT: Data-free Distillation of Denoising Diffusion Models with Bootstrapping

Diffusion models have demonstrated excellent potential for generating diverse images. However, their performance often suffers from slow generation due to iterative denoising. Knowledge distillation has been recently proposed as a remedy that can reduce the number of inference steps to one or a few without significant quality degradation. However, existing distillation methods either require significant amounts of offline computation for generating synthetic training data from the teacher model or need to perform expensive online learning with the help of real data. In this work, we present a novel technique called BOOT, that overcomes these limitations with an efficient data-free distillation algorithm. The core idea is to learn a time-conditioned model that predicts the output of a pre-trained diffusion model teacher given any time step. Such a model can be efficiently trained based on bootstrapping from two consecutive sampled steps. Furthermore, our method can be easily adapted to large-scale text-to-image diffusion models, which are challenging for conventional methods given the fact that the training sets are often large and difficult to access. We demonstrate the effectiveness of our approach on several benchmark datasets in the DDIM setting, achieving comparable generation quality while being orders of magnitude faster than the diffusion teacher. The text-to-image results show that the proposed approach is able to handle highly complex distributions, shedding light on more efficient generative modeling.

Align your Latents: High-Resolution Video Synthesis with Latent Diffusion Models

Latent Diffusion Models (LDMs) enable high-quality image synthesis while avoiding excessive compute demands by training a diffusion model in a compressed lower-dimensional latent space. Here, we apply the LDM paradigm to high-resolution video generation, a particularly resource-intensive task. We first pre-train an LDM on images only; then, we turn the image generator into a video generator by introducing a temporal dimension to the latent space diffusion model and fine-tuning on encoded image sequences, i.e., videos. Similarly, we temporally align diffusion model upsamplers, turning them into temporally consistent video super resolution models. We focus on two relevant real-world applications: Simulation of in-the-wild driving data and creative content creation with text-to-video modeling. In particular, we validate our Video LDM on real driving videos of resolution 512 x 1024, achieving state-of-the-art performance. Furthermore, our approach can easily leverage off-the-shelf pre-trained image LDMs, as we only need to train a temporal alignment model in that case. Doing so, we turn the publicly available, state-of-the-art text-to-image LDM Stable Diffusion into an efficient and expressive text-to-video model with resolution up to 1280 x 2048. We show that the temporal layers trained in this way generalize to different fine-tuned text-to-image LDMs. Utilizing this property, we show the first results for personalized text-to-video generation, opening exciting directions for future content creation. Project page: https://research.nvidia.com/labs/toronto-ai/VideoLDM/

LaMamba-Diff: Linear-Time High-Fidelity Diffusion Models Based on Local Attention and Mamba

Recent Transformer-based diffusion models have shown remarkable performance, largely attributed to the ability of the self-attention mechanism to accurately capture both global and local contexts by computing all-pair interactions among input tokens. However, their quadratic complexity poses significant computational challenges for long-sequence inputs. Conversely, a recent state space model called Mamba offers linear complexity by compressing a filtered global context into a hidden state. Despite its efficiency, compression inevitably leads to information loss of fine-grained local dependencies among tokens, which are crucial for effective visual generative modeling. Motivated by these observations, we introduce Local Attentional Mamba (LaMamba) blocks that combine the strengths of self-attention and Mamba, capturing both global contexts and local details with linear complexity. Leveraging the efficient U-Net architecture, our model exhibits exceptional scalability and surpasses the performance of DiT across various model scales on ImageNet at 256x256 resolution, all while utilizing substantially fewer GFLOPs and a comparable number of parameters. Compared to state-of-the-art diffusion models on ImageNet 256x256 and 512x512, our largest model presents notable advantages, such as a reduction of up to 62\% GFLOPs compared to DiT-XL/2, while achieving superior performance with comparable or fewer parameters.

TextureDreamer: Image-guided Texture Synthesis through Geometry-aware Diffusion

We present TextureDreamer, a novel image-guided texture synthesis method to transfer relightable textures from a small number of input images (3 to 5) to target 3D shapes across arbitrary categories. Texture creation is a pivotal challenge in vision and graphics. Industrial companies hire experienced artists to manually craft textures for 3D assets. Classical methods require densely sampled views and accurately aligned geometry, while learning-based methods are confined to category-specific shapes within the dataset. In contrast, TextureDreamer can transfer highly detailed, intricate textures from real-world environments to arbitrary objects with only a few casually captured images, potentially significantly democratizing texture creation. Our core idea, personalized geometry-aware score distillation (PGSD), draws inspiration from recent advancements in diffuse models, including personalized modeling for texture information extraction, variational score distillation for detailed appearance synthesis, and explicit geometry guidance with ControlNet. Our integration and several essential modifications substantially improve the texture quality. Experiments on real images spanning different categories show that TextureDreamer can successfully transfer highly realistic, semantic meaningful texture to arbitrary objects, surpassing the visual quality of previous state-of-the-art.

DiffuSIA: A Spiral Interaction Architecture for Encoder-Decoder Text Diffusion

Diffusion models have emerged as the new state-of-the-art family of deep generative models, and their promising potentials for text generation have recently attracted increasing attention. Existing studies mostly adopt a single encoder architecture with partially noising processes for conditional text generation, but its degree of flexibility for conditional modeling is limited. In fact, the encoder-decoder architecture is naturally more flexible for its detachable encoder and decoder modules, which is extensible to multilingual and multimodal generation tasks for conditions and target texts. However, the encoding process of conditional texts lacks the understanding of target texts. To this end, a spiral interaction architecture for encoder-decoder text diffusion (DiffuSIA) is proposed. Concretely, the conditional information from encoder is designed to be captured by the diffusion decoder, while the target information from decoder is designed to be captured by the conditional encoder. These two types of information flow run through multilayer interaction spirally for deep fusion and understanding. DiffuSIA is evaluated on four text generation tasks, including paraphrase, text simplification, question generation, and open-domain dialogue generation. Experimental results show that DiffuSIA achieves competitive performance among previous methods on all four tasks, demonstrating the effectiveness and generalization ability of the proposed method.

CHGNet: Pretrained universal neural network potential for charge-informed atomistic modeling

The simulation of large-scale systems with complex electron interactions remains one of the greatest challenges for the atomistic modeling of materials. Although classical force fields often fail to describe the coupling between electronic states and ionic rearrangements, the more accurate ab-initio molecular dynamics suffers from computational complexity that prevents long-time and large-scale simulations, which are essential to study many technologically relevant phenomena, such as reactions, ion migrations, phase transformations, and degradation. In this work, we present the Crystal Hamiltonian Graph neural Network (CHGNet) as a novel machine-learning interatomic potential (MLIP), using a graph-neural-network-based force field to model a universal potential energy surface. CHGNet is pretrained on the energies, forces, stresses, and magnetic moments from the Materials Project Trajectory Dataset, which consists of over 10 years of density functional theory static and relaxation trajectories of sim 1.5 million inorganic structures. The explicit inclusion of magnetic moments enables CHGNet to learn and accurately represent the orbital occupancy of electrons, enhancing its capability to describe both atomic and electronic degrees of freedom. We demonstrate several applications of CHGNet in solid-state materials, including charge-informed molecular dynamics in Li_xMnO_2, the finite temperature phase diagram for Li_xFePO_4 and Li diffusion in garnet conductors. We critically analyze the significance of including charge information for capturing appropriate chemistry, and we provide new insights into ionic systems with additional electronic degrees of freedom that can not be observed by previous MLIPs.