Recently, diffusion- and flow-based generative models of protein structures have emerged as a powerful tool for de novo protein design. Here, we develop *Proteina*, a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and relies on a tailored scalable transformer architecture with up to $5\times$ as many parameters as previous models. To meaningfully quantify performance, we introduce a new set of metrics that directly measure the distributional similarity of generated proteins with reference sets, complementing existing metrics. We further explore scaling training data to millions of synthetic protein structures and explore improved training and sampling recipes adapted to protein backbone generation. This includes fine-tuning strategies like LoRA for protein backbones, new guidance methods like classifier-free guidance and autoguidance for protein backbones, and new adjusted training objectives. Proteina achieves state-of-the-art performance on de novo protein backbone design and produces diverse and designable proteins at unprecedented length, up to 800 residues. The hierarchical conditioning offers novel control, enabling high-level secondary-structure guidance as well as low-level fold-specific generation.

Consistency models have recently been introduced to accelerate the generation speed of diffusion models by directly predicting the solution (data) of the probability flow ODE (PF ODE) from initial noise. However, the training of consistency models requires learning to map all intermediate points along PF ODE trajectories to their corresponding endpoints. This task is much more challenging than the ultimate objective of one-step generation, which only concerns the PF ODE's noise-to-data mapping. We empirically find that this training paradigm limits the one-step generation performance of consistency models. To address this issue, we generalize consistency training to the truncated time range, which allows the model to ignore denoising tasks at earlier time steps and focus its capacity on generation. We propose a new parameterization of the consistency function and a two-stage training procedure that prevent the truncated-time training from collapsing to a trivial solution. Experiments on CIFAR-10 and ImageNet $64\times64$ datasets show that our method achieves better one-step and two-step FIDs than the state-of-the-art consistency models such as iCT-deep, using more than 2$\times$ smaller networks.

We develop ProtComposer to generate protein structures conditioned on spatial protein layouts that are specified via a set of 3D ellipsoids capturing substructure shapes and semantics. At inference time, we condition on ellipsoids that are hand-constructed, extracted from existing proteins, or from a statistical model, with each option unlocking new capabilities. Hand-specifying ellipsoids enables users to control the location, size, orientation, secondary structure, and approximate shape of protein substructures. Conditioning on ellipsoids of existing proteins enables redesigning their substructure's connectivity or editing substructure properties. By conditioning on novel and diverse ellipsoid layouts from a simple statistical model, we improve protein generation with expanded Pareto frontiers between designability, novelty, and diversity. Further, this enables sampling designable proteins with a helix-fraction that matches PDB proteins, unlike existing generative models that commonly oversample conceptually simple helix bundles. Code is available at https://github.com/NVlabs/protcomposer.

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 1.3x sampling speedup over existing diffusion models. Reproduced code is available at https://github.com/MinkaiXu/Energy-Diffusion-LLM.

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

Drug discovery is a complex process that involves multiple stages and tasks. However, existing molecular generative models can only tackle some of these tasks. We present Generalist Molecular generative model (GenMol), a versatile framework that uses only a single discrete diffusion model to handle diverse drug discovery scenarios. GenMol generates Sequential Attachment-based Fragment Embedding (SAFE) sequences through non-autoregressive bidirectional parallel decoding, thereby allowing the utilization of a molecular context that does not rely on the specific token ordering while having better sampling efficiency. GenMol uses fragments as basic building blocks for molecules and introduces fragment remasking, a strategy that optimizes molecules by regenerating masked fragments, enabling effective exploration of chemical space. We further propose molecular context guidance (MCG), a guidance method tailored for masked discrete diffusion of GenMol. GenMol significantly outperforms the previous GPT-based model in de novo generation and fragment-constrained generation, and achieves state-of-the-art performance in goal-directed hit generation and lead optimization. These results demonstrate that GenMol can tackle a wide range of drug discovery tasks, providing a unified and versatile approach for molecular design.

Diffusion models are a powerful tool for probabilistic forecasting, yet most applications in high-dimensional complex systems predict future states individually. This approach struggles to model complex temporal dependencies and fails to explicitly account for the progressive growth of uncertainty inherent to the systems. While rolling diffusion frameworks, which apply increasing noise to forecasts at longer lead times, have been proposed to address this, their integration with state-of-the-art, high-fidelity diffusion techniques remains a significant challenge. We tackle this problem by introducing Elucidated Rolling Diffusion Models (ERDM), the first framework to successfully unify a rolling forecast structure with the principled, performant design of Elucidated Diffusion Models (EDM). To do this, we adapt the core EDM components--its noise schedule, network preconditioning, and Heun sampler--to the rolling forecast setting. The success of this integration is driven by three key contributions: $(i)$ a novel loss weighting scheme that focuses model capacity on the mid-range forecast horizons where determinism gives way to stochasticity; $(ii)$ an efficient initialization strategy using a pre-trained EDM for the initial window; and $(iii)$ a bespoke hybrid sequence architecture for robust spatiotemporal feature extraction under progressive denoising. On 2D Navier–Stokes simulations and ERA5 global weather forecasting at $1.5^\circ$ resolution, ERDM consistently outperforms key diffusion-based baselines, including conditional autoregressive EDM. ERDM offers a flexible and powerful general framework for tackling diffusion-based dynamics forecasting problems where modeling uncertainty propagation is paramount.

Diffusion- and flow-based models have emerged as state-of-the-art generative modeling approaches, but they require many sampling steps. Consistency models can distill these models into efficient one-step generators; however, unlike flow- and diffusion-based methods, their performance inevitably degrades when increasing the number of steps, which we show both analytically and empirically. Flow maps generalize these approaches by connecting any two noise levels in a single step and remain effective across all step counts. In this paper, we introduce two new continuous-time objectives for training flow maps, along with additional novel training techniques, generalizing existing consistency and flow matching objectives. We further demonstrate that autoguidance can improve performance, using a low-quality model for guidance during distillation, and an additional boost can be achieved by adversarial finetuning, with minimal loss in sample diversity. We extensively validate our flow map models, called *Align Your Flow*, on challenging image generation benchmarks and achieve state-of-the-art few-step generation performance on both ImageNet 64x64 and 512x512, using small and efficient neural networks. Finally, we show text-to-image flow map models that outperform all existing non-adversarially trained few-step samplers in text-conditioned synthesis.

Diffusion models have recently emerged as a powerful framework for generative modeling. They consist of a forward process that perturbs input data with Gaussian white noise and a reverse process that learns a score function to generate samples by denoising. Despite their tremendous success, they are mostly formulated on finite-dimensional spaces, e.g., Euclidean, limiting their applications to many domains where the data has a functional form, such as in scientific computing and 3D geometric data analysis. This work introduces a mathematically rigorous framework called Denoising Diffusion Operators (DDOs) for training diffusion models in function space. In DDOs, the forward process perturbs input functions gradually using a Gaussian process. The generative process is formulated by a function-valued annealed Langevin dynamic. Our approach requires an appropriate notion of the score for the perturbed data distribution, which we obtain by generalizing denoising score matching to function spaces that can be infinite-dimensional. We show that the corresponding discretized algorithm generates accurate samples at a fixed cost independent of the data resolution. We theoretically and numerically verify the applicability of our approach on a set of function-valued problems, including generating solutions to the Navier-Stokes equation viewed as the push-forward distribution of forcings from a Gaussian Random Field (GRF), as well as volcano InSAR and MNIST-SDF.

Text-guided diffusion models have revolutionized image and video generation and have also been successfully used for optimization-based 3D object synthesis. Here, we in-stead focus on the underexplored text-to-4D setting and syn-thesize dynamic, animated 3D objects using score distillation methods with an additional temporal dimension. compared to previous work, we pursue a novel compositional generation-based approach, and combine text-to-image, text-to-video, and 3D-aware multiview diffusion models to provide feedback during 4D object optimization, thereby si-multaneously enforcing temporal consistency, high-quality visual appearance and realistic geometry. Our method, called Align Your Gaussians (A YG), leverages dynamic 3D Gaussian Splatting with deformation fields as 4D represen-tation. Crucial to AYG is a novel method to regularize the distribution of the moving 3D Gaussians and thereby sta-bilize the optimization and induce motion. We also pro-pose a motion amplification mechanism as well as a new autoregressive synthesis scheme to generate and combine multiple 4D sequences for longer generation. These techniques allow us to synthesize vivid dynamic scenes, out-perform previous work qualitatively and quantitatively and achieve state-of-the-art text-to-4D performance. Due to the Gaussian 4D representation, different 4D animations can be seamlessly combined, as we demonstrate. AYG opens up promising avenues for animation, simulation and digital content creation as well as synthetic data generation.

We aim to generate fine-grained 3D geometry from large-scale sparse LiDAR scans, abundantly captured by autonomous vehicles (AV). Contrary to prior work on AV scene completion, we aim to extrapolate fine geometry from unlabeled and beyond spatial limits of LiDAR scans, taking a step towards generating realistic, high-resolution simulation-ready 3D street environments. We propose hierarchical Generative Cellular Automata (hGCA), a spatially scalable conditional 3D generative model, which grows geometry recursively with local kernels following [46, 47], in a coarse-to-fine manner, equipped with a light-weight planner to induce global consistency. Experiments on synthetic scenes show that hGCA generates plausible scene geometry with higher fidelity and completeness compared to state-of-the-art baselines. Our model generalizes strongly from sim-to-real, qualitatively outperforming baselines on the Waymo-open dataset. We also show anecdotal evidence of the ability to create novel objects from real-world geometric cues even when trained on limited synthetic content. More results and details can be found on our project page.

Modern learning-based approaches to 3D-aware image synthesis achieve high photorealism and 3D-consistent viewpoint changes for the generated images. Existing approaches represent instances in a shared canonical space. However, for in-the-wild datasets a shared canonical system can be difficult to define or might not even exist. In this work, we instead model instances in view space, alleviating the need for posed images and learned camera distributions. We find that in this setting, existing GAN-based methods are prone to generating flat geometry and struggle with distribution coverage. We hence propose WildFusion, a new approach to 3D-aware image synthesis based on latent diffusion models (LDMs). We first train an autoencoder that infers a compressed latent representation, which additionally captures the images’ underlying 3D structure and enables not only reconstruction but also novel view synthesis. To learn a faithful 3D representation, we leverage cues from monocular depth prediction. Then, we train a diffusion model in the 3D-aware latent space, thereby enabling synthesis of high-quality 3D-consistent image samples, outperforming recent state-of-the-art GAN-based methods. Importantly, our 3D-aware LDM is trained without any direct supervision from multiview images or 3D geometry and does not require posed images or learned pose or camera distributions. It directly learns a 3D representation without relying on canonical camera coordinates. This opens up promising research avenues for scalable 3D-aware image synthesis and 3D content creation from in-the-wild image data.

Diffusion models (DMs) have established themselves as the state-of-the-art generative modeling approach in the visual domain and beyond. A crucial drawback of DMs is their slow sampling speed, relying on many sequential function evaluations through large neural networks. Sampling from DMs can be seen as solving a differential equation through a discretized set of noise levels known as the sampling schedule. While past works primarily focused on deriving efficient solvers, little attention has been given to finding optimal sampling schedules, and the entire literature relies on hand-crafted heuristics. In this work, for the first time, we propose a general and principled approach to optimizing the sampling schedules of DMs for high-quality outputs, called Align Your Steps. We leverage methods from stochastic calculus and find optimal schedules specific to different solvers, trained DMs and datasets. We evaluate our novel approach on several image, video as well as 2D toy data synthesis benchmarks, using a variety of different samplers, and observe that our optimized schedules outperform previous hand-crafted schedules in almost all experiments. Our method demonstrates the untapped potential of sampling schedule optimization, especially in the few-step synthesis regime.

Diffusion models (DMs) have revolutionized generative learning. They utilize a diffusion process to encode data into a simple Gaussian distribution. However, encoding a complex, potentially multimodal data distribution into a single *continuous* Gaussian distribution arguably represents an unnecessarily challenging learning problem. We propose ***Dis**crete-**Co**ntinuous Latent Variable **Diff**usion Models (DisCo-Diff)* to simplify this task by introducing complementary *discrete* latent variables. We augment DMs with learnable discrete latents, inferred with an encoder, and train DM and encoder end-to-end. DisCo-Diff does not rely on pre-trained networks, making the framework universally applicable. The discrete latents significantly simplify learning the DM's complex noise-to-data mapping by reducing the curvature of the DM's generative ODE. An additional autoregressive transformer models the distribution of the discrete latents, a simple step because DisCo-Diff requires only few discrete variables with small codebooks. We validate DisCo-Diff on toy data, several image synthesis tasks as well as molecular docking, and find that introducing discrete latents consistently improves model performance. For example, DisCo-Diff achieves state-of-the-art FID scores on class-conditioned ImageNet-64/128 datasets with ODE sampler.

Using image models naively for solving inverse video problems often suffers from flickering, texture-sticking, and temporal inconsistency in generated videos. To tackle these problems, in this paper, we view frames as continuous functions in the 2D space, and videos as a sequence of continuous warping transformations between different frames. This perspective allows us to train function space diffusion models only on **images** and utilize them to solve temporally correlated inverse problems. The function space diffusion models need to be equivariant with respect to the underlying spatial transformations. To ensure temporal consistency, we introduce a simple post-hoc test-time guidance towards (self)-equivariant solutions. Our method allows us to deploy state-of-the-art latent diffusion models such as Stable Diffusion XL to solve video inverse problems. We demonstrate the effectiveness of our method for video inpainting and $8\times$ video super-resolution, outperforming existing techniques based on noise transformations. We provide generated video results in the following URL: https://giannisdaras.github.io/warped_diffusion.github.io/.

Generating ligand molecules for specific protein targets, known as structure-based drug design, is a fundamental problem in therapeutics development and biological discovery. Recently, target-aware generative models, especially diffusion models, have shown great promise in modeling protein-ligand interactions and generating candidate drugs. However, existing models primarily focus on learning the chemical distribution of all drug candidates, which lacks effective steerability on the chemical quality of model generations. In this paper, we propose a novel and general alignment framework to align pretrained target diffusion models with preferred functional properties, named AliDiff. AliDiff shifts the target-conditioned chemical distribution towards regions with higher binding affinity and structural rationality, specified by user-defined reward functions, via the preference optimization approach. To avoid the overfitting problem in common preference optimization objectives, we further develop an improved Exact Energy Preference Optimization method to yield an exact and efficient alignment of the diffusion models, and provide the closed-form expression for the converged distribution. Empirical studies on the CrossDocked2020 benchmark show that AliDiff can generate molecules with state-of-the-art binding energies with up to -7.07 Avg. Vina Score, while maintaining strong molecular properties. Code is available at https://github.com/MinkaiXu/AliDiff.

Fragment-based drug discovery, in which molecular fragments are assembled into new molecules with desirable biochemical properties, has achieved great success. However, many fragment-based molecule generation methods show limited exploration beyond the existing fragments in the database as they only reassemble or slightly modify the given ones. To tackle this problem, we propose a new fragment-based molecule generation framework with retrieval augmentation, namely *Fragment Retrieval-Augmented Generation* (*f*-RAG). *f*-RAG is based on a pre-trained molecular generative model that proposes additional fragments from input fragments to complete and generate a new molecule. Given a fragment vocabulary, *f*-RAG retrieves two types of fragments: (1) *hard fragments*, which serve as building blocks that will be explicitly included in the newly generated molecule, and (2) *soft fragments*, which serve as reference to guide the generation of new fragments through a trainable *fragment injection module*. To extrapolate beyond the existing fragments, *f*-RAG updates the fragment vocabulary with generated fragments via an iterative refinement process which is further enhanced with post-hoc genetic fragment modification. *f*-RAG can achieve an improved exploration-exploitation trade-off by maintaining a pool of fragments and expanding it with novel and high-quality fragments through a strong generative prior.

We present L4GM, the first 4D Large Reconstruction Model that produces animated objects from a single-view video input -- in a single feed-forward pass that takes only a second. Key to our success is a novel dataset of multiview videos containing curated, rendered animated objects from Objaverse. This dataset depicts 44K diverse objects with 110K animations rendered in 48 viewpoints, resulting in 12M videos with a total of 300M frames. We keep our L4GM simple for scalability and build directly on top of LGM, a pretrained 3D Large Reconstruction Model that outputs 3D Gaussian ellipsoids from multiview image input. L4GM outputs a per-frame 3D Gaussian splat representation from video frames sampled at a low fps and then upsamples the representation to a higher fps to achieve temporal smoothness. We add temporal self-attention layers to the base LGM to help it learn consistency across time, and utilize a per-timestep multiview rendering loss to train the model. The representation is upsampled to a higher framerate by training an interpolation model which produces intermediate 3D Gaussian representations. We showcase that L4GM that is only trained on synthetic data generalizes well on in-the-wild videos, producing high quality animated 3D assets.

Automatically generating high-quality real world 3D scenes is of enormous interest for applications such as virtual reality and robotics simulation. Towards this goal, we introduce NeuralField-LDM, a generative model capable of synthesizing complex 3D environments. We leverage Latent Diffusion Models that have been successfully utilized for efficient high-quality 2D content creation. We first train a scene auto-encoder to express a set of image and pose pairs as a neural field, represented as density and feature voxel grids that can be projected to produce novel views of the scene. To further compress this representation, we train a latent-autoencoder that maps the voxel grids to a set of latent representations. A hierarchical diffusion model is then fit to the latents to complete the scene generation pipeline. We achieve a substantial improvement over existing state-of-the-art scene generation models. Additionally, we show how NeuralField-LDM can be used for a variety of 3D content creation applications, including conditional scene generation, scene inpainting and scene style manipulation.

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 finetuning 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$512 \times 1024$, achieving state-of-the-art performance. Furthermore, our approach can easily leverage off-the-shelf pretrained 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$1280 \times 2048$. We show that the temporal layers trained in this way generalize to different finetuned 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://nv-tlabs.github.io/VideoLDM/

DreamFusion [31] has recently demonstrated the utility of a pretrained text-to-image diffusion model to optimize Neural Radiance Fields (NeRF) [23], achieving remarkable text-to-3D synthesis results. However, the method has two inherent limitations: (a) extremely slow optimization of NeRF and (b) low-resolution image space supervision on NeRF, leading to low-quality 3D models with a long processing time. In this paper, we address these limitations by utilizing a two-stage optimization framework. First, we obtain a coarse model using a low-resolution diffusion prior and accelerate with a sparse 3D hash grid structure. Using the coarse representation as the initialization, we further optimize a textured 3D mesh model with an efficient differentiable renderer interacting with a high-resolution latent diffusion model. Our method, dubbed Magic3D, can create high quality 3D mesh models in 40 minutes, which is 2× faster than DreamFusion (reportedly taking 1.5 hours on average), while also achieving higher resolution. User studies show 61.7% raters to prefer our approach over DreamFusion. Together with the image-conditioned generation capabilities, we provide users with new ways to control 3D synthesis, opening up new avenues to various creative applications.

We introduce a method for generating realistic pedestrian trajectories and full-body animations that can be controlled to meet user-defined goals. We draw on recent advances in guided diffusion modeling to achieve test-time controllability of trajectories, which is normally only associated with rule-based systems. Our guided diffusion model allows users to constrain trajectories through target waypoints, speed, and specified social groups while accounting for the surrounding environment context. This trajectory diffusion model is integrated with a novel physics-based humanoid controller to form a closed-loop, full-body pedestrian animation system capable of placing large crowds in a simulated environment with varying terrains. We further propose utilizing the value function learned during RL training of the animation controller to guide diffusion to produce trajectories better suited for particular scenarios such as collision avoidance and traversing uneven terrain. Video results are available on the project page.

We present TexFusion (Texture Diffusion), a new method to synthesize textures for given 3D geometries, using large-scale text-guided image diffusion models. In contrast to recent works that leverage 2D text-to-image diffusion models to distill 3D objects using a slow and fragile optimization process, TexFusion introduces a new 3D-consistent generation technique specifically designed for texture synthesis that employs regular diffusion model sampling on different 2D rendered views. Specifically, we leverage latent diffusion models, apply the diffusion model’s denoiser on a set of 2D renders of the 3D object, and aggregate the different denoising predictions on a shared latent texture map. Final output RGB textures are produced by optimizing an intermediate neural color field on the decodings of 2D renders of the latent texture. We thoroughly validate TexFusion and show that we can efficiently generate diverse, high quality and globally coherent textures. We achieve state-of-the-art text-guided texture synthesis performance using only image diffusion models, while avoiding the pitfalls of previous distillation-based methods. The text-conditioning offers detailed control and we also do not rely on any ground truth 3D textures for training. This makes our method versatile and applicable to a broad range of geometry and texture types. We hope that TexFusion will advance AI-based texturing of 3D assets for applications in virtual reality, game design, simulation, and more.

In this work, we introduce a self-supervised feature representation learning framework DreamTeacher that utilizes generative networks for pre-training downstream image backbones. We propose to distill knowledge from a trained generative model into standard image backbones that have been well engineered for specific perception tasks. We investigate two types of knowledge distillation: 1) distilling learned generative features onto target image backbones as an alternative to pretraining these backbones on large labeled datasets such as ImageNet, and 2) distilling labels obtained from generative networks with task heads onto logits of target backbones. We perform extensive analyses on multiple generative models, dense prediction benchmarks, and several pre-training regimes. We empirically find that our DreamTeacher significantly outperforms existing self-supervised representation learning approaches across the board. Unsupervised ImageNet pre-training with DreamTeacher leads to significant improvements over ImageNet classification pre-training on downstream datasets, showcasing generative models, and diffusion generative models specifically, as a promising approach to representation learning on large, diverse datasets without requiring manual annotation.

Modern image generative models show remarkable sample quality when trained on a single domain or class of objects. In this work, we introduce a generative adversarial network that can simultaneously generate aligned image samples from multiple related domains. We leverage the fact that a variety of object classes share common attributes, with certain geometric differences. We propose Polymorphic-GAN which learns shared features across all domains and a per-domain morph layer to morph shared features according to each domain. In contrast to previous works, our framework allows simultaneous modelling of images with highly varying geometries, such as images of human faces, painted and artistic faces, as well as multiple different animal faces. We demonstrate that our model produces aligned samples for all domains and show how it can be used for applications such as segmentation transfer and cross-domain image editing, as well as training in low-data regimes. Additionally, we apply our Polymorphic-GAN on image-to-image translation tasks and show that we can greatly surpass previous approaches in cases where the geometric differences between domains are large.

Annotating images with pixel-wise labels is a time consuming and costly process. Recently, DatasetGAN [78] showcased a promising alternative - to synthesize a large labeled dataset via a generative adversarial network (GAN) by exploiting a small set of manually labeled, GAN generated images. Here, we scale DatasetGAN to ImageNet scale of class diversity. We take image samples from the class-conditional generative model BigGAN [5] trained on ImageNet, and manually annotate only 5 images per class, for all 1k classes. By training an effective feature segmentation architecture on top of BigGAN, we turn Big GAN into a labeled dataset generator. We further show that VQGAN [18] can similarly serve as a dataset generator, leveraging the already annotated data. We create a new ImageNet benchmark by labeling an additional set of real images and evaluate segmentation performance in a variety of settings. Through an extensive ablation study, we show big gains in leveraging a large generated dataset to train different supervised and self-supervised backbone models on pixel-wise tasks. Furthermore, we demonstrate that using our synthesized datasets for pre-training leads to improvements over standard ImageNet pre-training on several downstream datasets, such as PASCAL-VOC, MS-COCO, Cityscapes and chest X-ray, as well as tasks (detection, segmentation). Our benchmark will be made public and maintain a leaderboard for this challenging task. Project Page: https://nv-tlabs.github.io/big-datasetgan/

Denoising diffusion models (DDMs) have emerged as a powerful class of generative models. A forward diffusion process slowly perturbs the data, while a deep model learns to gradually denoise. Synthesis amounts to solving a differential equation (DE) defined by the learnt model. Solving the DE requires slow iterative solvers for high-quality generation. In this work, we propose Higher-Order Denoising Diffusion Solvers (GENIE): Based on truncated Taylor methods, we derive a novel higher-order solver that significantly accelerates synthesis. Our solver relies on higher-order gradients of the perturbed data distribution, that is, higher-order score functions. In practice, only Jacobian-vector products (JVPs) are required and we propose to extract them from the first-order score network via automatic differentiation. We then distill the JVPs into a separate neural network that allows us to efficiently compute the necessary higher-order terms for our novel sampler during synthesis. We only need to train a small additional head on top of the first-order score network. We validate GENIE on multiple image generation benchmarks and demonstrate that GENIE outperforms all previous solvers. Unlike recent methods that fundamentally alter the generation process in DDMs, our GENIE solves the true generative DE and still enables applications such as encoding and guided sampling. Project page and code: https://nv-tlabs.github.io/GENIE.

Denoising diffusion models (DDMs) have shown promising results in 3D point cloud synthesis. To advance 3D DDMs and make them useful for digital artists, we require (i) high generation quality, (ii) flexibility for manipulation and applications such as conditional synthesis and shape interpolation, and (iii) the ability to output smooth surfaces or meshes. To this end, we introduce the hierarchical Latent Point Diffusion Model (LION) for 3D shape generation. LION is set up as a variational autoencoder (VAE) with a hierarchical latent space that combines a global shape latent representation with a point-structured latent space. For generation, we train two hierarchical DDMs in these latent spaces. The hierarchical VAE approach boosts performance compared to DDMs that operate on point clouds directly, while the point-structured latents are still ideally suited for DDM-based modeling. Experimentally, LION achieves state-of-the-art generation performance on multiple ShapeNet benchmarks. Furthermore, our VAE framework allows us to easily use LION for different relevant tasks: LION excels at multimodal shape denoising and voxel-conditioned synthesis, and it can be adapted for text- and image-driven 3D generation. We also demonstrate shape autoencoding and latent shape interpolation, and we augment LION with modern surface reconstruction techniques to generate smooth 3D meshes. We hope that LION provides a powerful tool for artists working with 3D shapes due to its high-quality generation, flexibility, and surface reconstruction. Project page and code: https://nv-tlabs.github.io/LION.

Training deep networks with limited labeled data while achieving a strong generalization ability is key in the quest to reduce human annotation efforts. This is the goal of semi-supervised learning, which exploits more widely available unlabeled data to complement small labeled data sets. In this paper, we propose a novel framework for discriminative pixel-level tasks using a generative model of both images and labels. Concretely, we learn a generative adversarial network that captures the joint image-label distribution and is trained efficiently using a large set of un-labeled images supplemented with only few labeled ones. We build our architecture on top of StyleGAN2 [45], augmented with a label synthesis branch. Image labeling at test time is achieved by first embedding the target image into the joint latent space via an encoder network and test-time optimization, and then generating the label from the inferred embedding. We evaluate our approach in two important domains: medical image segmentation and part-based face segmentation. We demonstrate strong in-domain performance compared to several baselines, and are the first to showcase extreme out-of-domain generalization, such as transferring from CT to MRI in medical imaging, and photographs of real faces to paintings, sculptures, and even cartoons and animal faces. Project Page: https://nv-tlabs.github.io/semanticGAN/

Neural signed distance functions (SDFs) are emerging as an effective representation for 3D shapes. State-of-the-art methods typically encode the SDF with a large, fixed-size neural network to approximate complex shapes with implicit surfaces. Rendering with these large networks is, however, computationally expensive since it requires many forward passes through the network for every pixel, making these representations impractical for real-time graphics. We introduce an efficient neural representation that, for the first time, enables real-time rendering of high-fidelity neural SDFs, while achieving state-of-the-art geometry reconstruction quality. We represent implicit surfaces using an octree-based feature volume which adaptively fits shapes with multiple discrete levels of detail (LODs), and enables continuous LOD with SDF interpolation. We further develop an efficient algorithm to directly render our novel neural SDF representation in real-time by querying only the necessary LODs with sparse octree traversal. We show that our representation is 2–3 orders of magnitude more efficient in terms of rendering speed compared to previous works. Furthermore, it produces state-of-the-art reconstruction quality for complex shapes under both 3D geometric and 2D image-space metrics.

Although machine learning models trained on massive data have led to breakthroughs in several areas, their deployment in privacy-sensitive domains remains limited due to restricted access to data. Generative models trained with privacy constraints on private data can sidestep this challenge, providing indirect access to private data instead. We propose DP-Sinkhorn, a novel optimal transport-based generative method for learning data distributions from private data with differential privacy. DP-Sinkhorn minimizes the Sinkhorn divergence, a computationally efficient approximation to the exact optimal transport distance, between the model and data in a differentially private manner and uses a novel technique for controlling the bias-variance trade-off of gradient estimates. Unlike existing approaches for training differentially private generative models, which are mostly based on generative adversarial networks, we do not rely on adversarial objectives, which are notoriously difficult to optimize, especially in the presence of noise imposed by privacy constraints. Hence, DP-Sinkhorn is easy to train and deploy. Experimentally, we improve upon the state-of-the-art on multiple image modeling benchmarks and show differentially private synthesis of informative RGB images.

Generative adversarial networks (GANs) have recently found applications in image editing. However, most GAN-based image editing methods often require large-scale datasets with semantic segmentation annotations for training, only provide high-level control, or merely interpolate between different images. Here, we propose EditGAN, a novel method for high-quality, high-precision semantic image editing, allowing users to edit images by modifying their highly detailed part segmentation masks, e.g., drawing a new mask for the headlight of a car. EditGAN builds on a GAN framework that jointly models images and their semantic segmentation, requiring only a handful of labeled examples – making it a scalable tool for editing. Specifically, we embed an image into the GAN’s latent space and perform conditional latent code optimization according to the segmentation edit, which effectively also modifies the image. To amortize optimization, we find “editing vectors” in latent space that realize the edits. The framework allows us to learn an arbitrary number of editing vectors, which can then be directly applied on other images at interactive rates. We experimentally show that EditGAN can manipulate images with an unprecedented level of detail and freedom while preserving full image quality. We can also easily combine multiple edits and perform plausible edits beyond EditGAN’s training data. We demonstrate EditGAN on a wide variety of image types and quantitatively outperform several previous editing methods on standard editing benchmark tasks.

The ability to synthesize realistic and diverse indoor furniture layouts automatically or based on partial input, unlocks many applications, from better interactive 3D tools to data synthesis for training and simulation. In this paper, we present ATISS, a novel autoregressive transformer architecture for creating diverse and plausible synthetic indoor environments, given only the room type and its floor plan. In contrast to prior work, which poses scene synthesis as sequence generation, our model generates rooms as unordered sets of objects. We argue that this formulation is more natural, as it makes ATISS generally useful beyond fully automatic room layout synthesis. For example, the same trained model can be used in interactive applications for general scene completion, partial room re-arrangement with any objects specified by the user, as well as object suggestions for any partial room. To enable this, our model leverages the permutation equivariance of the transformer when conditioning on the partial scene, and is trained to be permutation-invariant across object orderings. Our model is trained end-to-end as an autoregressive generative model using only labeled 3D bounding boxes as supervision. Evaluations on four room types in the 3D-FRONT dataset demonstrate that our model consistently generates plausible room layouts that are more realistic than existing methods.In addition, it has fewer parameters, is simpler to implement and train and runs up to 8 times faster than existing methods.

Score-based generative models (SGMs) have recently demonstrated impressive results in terms of both sample quality and distribution coverage. However, they are usually applied directly in data space and often require thousands of network evaluations for sampling. Here, we propose the Latent Score-based Generative Model (LSGM), a novel approach that trains SGMs in a latent space, relying on the variational autoencoder framework. Moving from data to latent space allows us to train more expressive generative models, apply SGMs to non-continuous data, and learn smoother SGMs in a smaller space, resulting in fewer network evaluations and faster sampling. To enable training LSGMs end-to-end in a scalable and stable manner, we (i) introduce a new score-matching objective suitable to the LSGM setting, (ii) propose a novel parameterization of the score function that allows SGM to focus on the mismatch of the target distribution with respect to a simple Normal one, and (iii) analytically derive multiple techniques for variance reduction of the training objective. LSGM obtains a state-of-the-art FID score of 2.10 on CIFAR-10, outperforming all existing generative results on this dataset. On CelebA-HQ-256, LSGM is on a par with previous SGMs in sample quality while outperforming them in sampling time by two orders of magnitude. In modeling binary images, LSGM achieves state-of-the-art likelihood on the binarized OMNIGLOT dataset.

In images of complex scenes, objects are often occluding each other which makes perception tasks such as object detection and tracking, or robotic control tasks such as planning, challenging. To facilitate downstream tasks, it is thus important to reason about the full extent of objects, i.e., seeing behind occlusion, typically referred to as amodal instance completion. In this paper, we propose a variational generative framework for amodal completion, referred to as AMODAL-VAE, which does not require any amodal labels at training time, as it is able to utilize widely available object instance masks. We showcase our approach on the downstream task of scene editing where the user is presented with interactive tools to complete and erase objects in photographs. Experiments on complex street scenes demonstrate state-of-the-art performance in amodal mask completion and showcase high-quality scene editing results. Interestingly, a user study shows that humans prefer object completions inferred by our model to the human-labeled ones.