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Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…

This work explores a simple yet powerful lightweight adapter design for feed-forward 3D Gaussian Splatting (3DGS). Existing methods typically apply complex, architecture-specific designs on top of the generic pipeline of image feature…

Equivariant diffusion models have achieved impressive performance in 3D molecule generation. These models incorporate Euclidean symmetries of 3D molecules by utilizing an SE(3)-equivariant denoising network. However, specialized equivariant…

We introduce the SE(3)-Transformer, a variant of the self-attention module for 3D point clouds and graphs, which is equivariant under continuous 3D roto-translations. Equivariance is important to ensure stable and predictable performance in…

Pretrained equivariant graph neural networks based on spherical harmonics offer efficient and accurate alternatives to computationally expensive ab-initio methods, yet adapting them to new tasks and chemical environments still requires…

With the advancement of generative AI, research on its application to 3D model generation has gained traction, particularly in automating the creation of Computer-Aided Design (CAD) files from images. GenCAD is a notable model in this…

Precise geometric control in image generation is essential for engineering \& product design and creative industries to control 3D object features accurately in image space. Traditional 3D editing approaches are time-consuming and demand…

Text-guided domain adaptation and generation of 3D-aware portraits find many applications in various fields. However, due to the lack of training data and the challenges in handling the high variety of geometry and appearance, the existing…

Diffusion models excel at generation, but their latent spaces are high dimensional and not explicitly organized for interpretation or control. We introduce ConDA (Contrastive Diffusion Alignment), a plug-and-play geometry layer that applies…

Understanding and predicting the diverse conformational states of molecules is crucial for advancing fields such as chemistry, material science, and drug development. Despite significant progress in generative models, accurately generating…

Urban wind flow reconstruction is essential for assessing air quality, heat dispersion, and pedestrian comfort, yet remains challenging when only sparse sensor data are available. We propose GenDA, a generative data assimilation framework…

Improving the quality of hyperspectral images (HSIs), such as through super-resolution, is a crucial research area. However, generative modeling for HSIs presents several challenges. Due to their high spectral dimensionality, HSIs are too…

Pre-trained 3D vision models have gained significant attention for their promising performance on point cloud data. However, fully fine-tuning these models for downstream tasks is computationally expensive and storage-intensive. Existing…

Molecular conformation generation plays key roles in computational drug design. Recently developed deep learning methods, particularly diffusion models have reached competitive performance over traditional cheminformatical approaches.…

Diffusion models have attracted significant attention due to the remarkable ability to create content and generate data for tasks like image classification. However, the usage of diffusion models to generate the high-quality object…

Current face reenactment and swapping methods mainly rely on GAN frameworks, but recent focus has shifted to pre-trained diffusion models for their superior generation capabilities. However, training these models is resource-intensive, and…

It is inherently ambiguous to lift 2D results from pre-trained diffusion models to a 3D world for text-to-3D generation. 2D diffusion models solely learn view-agnostic priors and thus lack 3D knowledge during the lifting, leading to the…

Text-to-3D generation by distilling pretrained large-scale text-to-image diffusion models has shown great promise but still suffers from inconsistent 3D geometric structures (Janus problems) and severe artifacts. The aforementioned problems…

Protein design with desirable properties has been a significant challenge for many decades. Generative artificial intelligence is a promising approach and has achieved great success in various protein generation tasks. Notably, diffusion…

This paper presents a novel framework combining group equivariant convolutional neural networks (G-CNNs) with equivariant-aware structured pruning to produce compact, transformation-invariant models for resource-constrained environments.…