Related papers: VEDA: 3D Molecular Generation via Variance-Explodi…

The rare-event sampling problem has long been the central limiting factor in molecular dynamics (MD), especially in biomolecular simulation. Recently, diffusion models such as BioEmu have emerged as powerful equilibrium samplers that…

Although EDM aims to unify the design space of diffusion models, its reliance on fixed Gaussian noise prevents it from explaining emerging flow-based methods that diffuse arbitrary noise. Moreover, our study reveals that EDM's forcible…

Generative modeling and clustering are conventionally distinct tasks in machine learning. Variational Autoencoders (VAEs) have been widely explored for their ability to integrate both, providing a framework for generative clustering.…

With the rapid adoption of diffusion models, synthetic data generation has emerged as a promising approach for addressing the growing demand for large-scale image datasets. However, images generated purely by diffusion models often exhibit…

Scene flow estimation, which aims to predict per-point 3D displacements of dynamic scenes, is a fundamental task in the computer vision field. However, previous works commonly suffer from unreliable correlation caused by locally constrained…

Medical image segmentation is crucial for clinical diagnosis and treatment planning. Traditional methods typically produce a single segmentation mask, failing to capture inherent uncertainty. Recent generative models enable the creation of…

We present a data-driven generative framework for synthesizing blood vessel 3D geometry. This is a challenging task due to the complexity of vascular systems, which are highly variating in shape, size, and structure. Existing model-based…

We train a feed-forward text-to-3D diffusion generator for human characters using only single-view 2D data for supervision. Existing 3D generative models cannot yet match the fidelity of image or video generative models. State-of-the-art 3D…

Diffusion-based generative processes, formulated as differential equation solving, frequently balance computational speed with sample quality. Our theoretical investigation of ODE- and SDE-based solvers reveals complementary weaknesses: ODE…

Deep learning has proven to yield fast and accurate predictions of quantum-chemical properties to accelerate the discovery of novel molecules and materials. As an exhaustive exploration of the vast chemical space is still infeasible, we…

We propose SymDiff, a method for constructing equivariant diffusion models using the framework of stochastic symmetrisation. SymDiff resembles a learned data augmentation that is deployed at sampling time, and is lightweight,…

Using kinetic Monte-Carlo simulations of a Solid-on-Solid model we investigate the influence of step edge diffusion (SED) and evaporation on Molecular Beam Epitaxy (MBE). Based on these investigations we propose two strategies to optimize…

In data-driven drug discovery, designing molecular descriptors is a very important task. Deep generative models such as variational autoencoders (VAEs) offer a potential solution by designing descriptors as probabilistic latent vectors…

Joint-embedding predictive architectures (JEPAs) have shown substantial promise in self-supervised representation learning, yet their application in generative modeling remains underexplored. Conversely, diffusion models have demonstrated…

Latent diffusion models with Transformer architectures excel at generating high-fidelity images. However, recent studies reveal an optimization dilemma in this two-stage design: while increasing the per-token feature dimension in visual…

Diffusion-based generative models have exhibited powerful generative performance in recent years. However, as many attributes exist in the data distribution and owing to several limitations of sharing the model parameters across all levels…

Recent Diffusion Transformers (e.g., DiT) have demonstrated their powerful effectiveness in generating high-quality 2D images. However, it is still being determined whether the Transformer architecture performs equally well in 3D shape…

Collecting multi-view driving scenario videos to enhance the performance of 3D visual perception tasks presents significant challenges and incurs substantial costs, making generative models for realistic data an appealing alternative. Yet,…

Denoising diffusion probabilistic models (DDPMs) have pioneered new state-of-the-art results in disciplines such as computer vision and computational biology for diverse tasks ranging from text-guided image generation to structure-guided…

Conventional class-guided diffusion models generally succeed in generating images with correct semantic content, but often struggle with texture details. This limitation stems from the usage of class priors, which only provide coarse and…