A2SB: Audio-to-Audio Schrodinger Bridges

Audio in the real world may be perturbed due to numerous factors, causing the audio quality to be degraded. The following work presents an audio restoration model tailored for high-res music at 44.1kHz. Our model, Audio-to-Audio Schrodinger Bridges (A2SB), is capable of both bandwidth extension (predicting high-frequency components) and inpainting (re-generating missing segments). Critically, A2SB is end-to-end without need of a vocoder to predict waveform outputs, able to restore hour-long audio inputs, and trained on permissively licensed music data. A2SB is capable of achieving state-of-the-art bandwidth extension and inpainting quality on several out-of-distribution music test sets. Our demo website is https: //research.nvidia.com/labs/adlr/A2SB/.

BlobGEN-Vid: Compositional Text-to-Video Generation with Blob Video Representations

Existing video generation models struggle to follow complex text prompts and synthesize multiple objects, raising the need for additional grounding input for improved controllability. In this work, we propose to decompose videos into visual primitives - blob video representation, a general representation for controllable video generation. Based on blob conditions, we develop a blob-grounded video diffusion model named BlobGEN-Vid that allows users to control object motions and fine-grained object appearance. In particular, we introduce a masked 3D attention module that effectively improves regional consistency across frames. In addition, we introduce a learnable module to interpolate text embeddings so that users can control semantics in specific frames and obtain smooth object transitions. We show that our framework is model-agnostic and build BlobGEN-Vid based on both U-Net and DiT-based video diffusion models. Extensive experimental results show that BlobGEN-Vid achieves superior zero-shot video generation ability and state-of-the-art layout controllability on multiple benchmarks. When combined with an LLM for layout planning, our framework even outperforms proprietary text-to-video generators in terms of compositional accuracy.

GenMol: A Drug Discovery Generalist with Discrete Diffusion

Drug discovery is a complex process that involves multiple scenarios and stages, such as fragment-constrained molecule generation, hit generation and lead optimization. However, existing molecular generative models can only tackle one or two of these scenarios and lack the flexibility to address various aspects of the drug discovery pipeline. In this paper, we present Generalist Molecular generative model (GenMol), a versatile framework that addresses these limitations by applying discrete diffusion to the Sequential Attachment-based Fragment Embedding (SAFE) molecular representation. GenMol generates SAFE sequences through non-autoregressive bidirectional parallel decoding, thereby allowing utilization of a molecular context that does not rely on the specific token ordering and enhanced computational efficiency. Moreover, under the discrete diffusion framework, we introduce fragment remasking, a strategy that optimizes molecules by replacing fragments with masked tokens and regenerating them, enabling effective exploration of chemical space. GenMol significantly outperforms the previous GPT-based model trained on SAFE representations in de novo generation and fragment-constrained generation, and achieves state-of-the-art performance in goal-directed hit generation and lead optimization. These experimental results demonstrate that GenMol can tackle a wide range of drug discovery tasks, providing a unified and versatile approach for molecular design.

Molecule Generation with Fragment Retrieval Augmentation

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.

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 1.3$\times$ sampling speedup over existing diffusion models.

Warped Diffusion: Solving Video Inverse Problems with Image Diffusion Models

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: https://giannisdaras.github.io/warped\_diffusion.github.io/.

Truncated Consistency Models

Consistency models have recently been introduced to accelerate sampling from diffusion models by directly predicting the solution (i.e., 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 prevents 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. Project page: https://truncated-cm.github.io/

Heavy-Tailed Diffusion Models

Diffusion models achieve state-of-the-art generation quality across many applications, but their ability to capture rare or extreme events in heavy-tailed distributions remains unclear. In this work, we show that traditional diffusion and flow-matching models with standard Gaussian priors fail to capture heavy-tailed behavior. We address this by repurposing the diffusion framework for heavy-tail estimation using multivariate Student-t distributions. We develop a tailored perturbation kernel and derive the denoising posterior based on the conditional Student-t distribution for the backward process. Inspired by $\gamma$-divergence for heavy-tailed distributions, we derive a training objective for heavy-tailed denoisers. The resulting framework introduces controllable tail generation using only a single scalar hyperparameter, making it easily tunable for diverse real-world distributions. As specific instantiations of our framework, we introduce t-EDM and t-Flow, extensions of existing diffusion and flow models that employ a Student-t prior. Remarkably, our approach is readily compatible with standard Gaussian diffusion models and requires only minimal code changes. Empirically, we show that our t-EDM and t-Flow outperform standard diffusion models in heavy-tail estimation on high-resolution weather datasets in which generating rare and extreme events is crucial.

Elucidating Optimal Reward-Diversity Tradeoffs in Text-to-Image Diffusion Models

Text-to-image (T2I) diffusion models have become prominent tools for generating high-fidelity images from text prompts. However, when trained on unfiltered internet data, these models can produce unsafe, incorrect, or stylistically undesirable images that are not aligned with human preferences. To address this, recent approaches have incorporated human preference datasets to fine-tune T2I models or to optimize reward functions that capture these preferences. Although effective, these methods are vulnerable to reward hacking, where the model overfits to the reward function, leading to a loss of diversity in the generated images. In this paper, we prove the inevitability of reward hacking and study natural regularization techniques like KL divergence and LoRA scaling, and their limitations for diffusion models. We also introduce Annealed Importance Guidance (AIG), an inference-time regularization inspired by Annealed Importance Sampling, which retains the diversity of the base model while achieving Pareto-Optimal reward-diversity tradeoffs. Our experiments demonstrate the benefits of AIG for Stable Diffusion models, striking the optimal balance between reward optimization and image diversity. Furthermore, a user study confirms that AIG improves diversity and quality of generated images across different model architectures and reward functions.

Kilometer-Scale Convection Allowing Model Emulation using Generative Diffusion Modeling

Storm-scale convection-allowing models (CAMs) are an important tool for predicting the evolution of thunderstorms and mesoscale convective systems that result in damaging extreme weather. By explicitly resolving convective dynamics within the atmosphere they afford meteorologists the nuance needed to provide outlook on hazard. Deep learning models have thus far not proven skilful at km-scale atmospheric simulation, despite being competitive at coarser resolution with state-of-the-art global, medium-range weather forecasting. We present a generative diffusion model called StormCast, which emulates the high-resolution rapid refresh (HRRR) model-NOAA's state-of-the-art 3km operational CAM. StormCast autoregressively predicts 99 state variables at km scale using a 1-hour time step, with dense vertical resolution in the atmospheric boundary layer, conditioned on 26 synoptic variables. We present evidence of successfully learnt km-scale dynamics including competitive 1-6 hour forecast skill for composite radar reflectivity alongside physically realistic convective cluster evolution, moist updrafts, and cold pool morphology. StormCast predictions maintain realistic power spectra for multiple predicted variables across multi-hour forecasts. Together, these results establish the potential for autoregressive ML to emulate CAMs -- opening up new km-scale frontiers for regional ML weather prediction and future climate hazard dynamical downscaling.