40 accepted papers
A well-known pitfall of molecular generative models is that they are not guaranteed to generate synthesizable molecules. Existing solutions for this problem often struggle to effectively navigate exponentially large combinatorial space of synthesizable molecules and suffer from poor coverage. To add…
Recently, many generative models for de novo protein structure design have emerged. Yet, only few tackle the difficult task of directly generating fully atomistic structures jointly with the underlying amino acid sequence. This is challenging, for instance, because the model must reason over side ch…
Protein interaction modeling is central to protein design, which has been transformed by machine learning with broad applications in drug discovery and beyond. In this landscape, structure-based de novo binder design is most often cast as either conditional generative modeling or sequence optimizati…
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 deg…
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 bui…
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 i…
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, th…
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 han…
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…
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 t…
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 alo…
Text-guided diffusion models have revolutionized image and video generation and have also been successfully used for optimization-based 3D object synthesis. Here we instead focus on the underexplored text-to-4D setting and synthesize dynamic animated 3D objects using score distillation methods with…
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 see…
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 in…
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 unnecessa…
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. Th…
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…
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…
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 warpi…
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 de…
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 fi…
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 enginee…
Recently, DreamFusion demonstrated the utility of a pretrained text-to-image diffusion model to optimize Neural Radiance Fields (NeRF), achieving remarkable text-to-3D synthesis results. However, the method has two inherent limitations: 1) optimization of the NeRF representation is extremely slow, 2…
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 Model…
We present TexFusion(Texture Diffusion), a new method to synthesize textures for given 3D geometries, using only 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 pro…
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…
Annotating images with pixel-wise labels is a time-consuming and costly process. Recently, DatasetGAN 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 sca…
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 require…
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, a…
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…
Score-based generative models (SGMs) have demonstrated remarkable synthesis quality. SGMs rely on a diffusion process that gradually perturbs the data towards a tractable distribution, while the generative model learns to denoise. The complexity of this denoising task is, apart from the data distrib…
A wide variety of deep generative models has been developed in the past decade. Yet, these models often struggle with simultaneously addressing three key requirements including: high sample quality, mode coverage, and fast sampling. We call the challenge imposed by these requirements the generative…
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 architectur…
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, providi…
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 ima…
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, computat…
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-ba…
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 pa…
Energy-based models (EBMs) have recently been successful in representing complex distributions of small images. However, sampling from them requires expensive Markov chain Monte Carlo (MCMC) iterations that mix slowly in high dimensional pixel space. Unlike EBMs, variational autoencoders (VAEs) gene…
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., seein…