相关论文: Accelerating 3D Molecule Generation via Jointly Ge…

3D Human motion generation is pivotal across film, animation, gaming, and embodied intelligence. Traditional 3D motion synthesis relies on costly motion capture, while recent work shows that 2D videos provide rich, temporally coherent…

3D multi-object tracking (MOT) is an essential component for many applications such as autonomous driving and assistive robotics. Recent work on 3D MOT focuses on developing accurate systems giving less attention to practical considerations…

Structure-based drug design, i.e., finding molecules with high affinities to the target protein pocket, is one of the most critical tasks in drug discovery. Traditional solutions, like virtual screening, require exhaustively searching on a…

Text-to-3D generation represents an exciting field that has seen rapid advancements, facilitating the transformation of textual descriptions into detailed 3D models. However, current progress often neglects the intricate high-order…

Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling the target-ligand distribution can hardly fulfill one of the…

Weakly-supervised image segmentation has recently attracted increasing research attentions, aiming to avoid the expensive pixel-wise labeling. In this paper, we present an effective method, namely Point2Mask, to achieve high-quality…

Optimal transport aligns samples across distributions by minimizing the transportation cost between them, e.g., the geometric distances. Yet, it ignores coherence structure in the data such as clusters, does not handle outliers well, and…

Deep generative models that produce novel molecular structures have the potential to facilitate chemical discovery. Flow matching is a recently proposed generative modeling framework that has achieved impressive performance on a variety of…

Rich data and powerful machine learning models allow us to design drugs for a specific protein target \textit{in silico}. Recently, the inclusion of 3D structures during targeted drug design shows superior performance to other target-free…

Designing metal-organic frameworks (MOFs) with novel chemistries is a longstanding challenge due to their large combinatorial space and complex 3D arrangements of the building blocks. While recent deep generative models have enabled…

This work proposes a jointly optimized trajectory generation and camera control approach, enabling an autonomous agent, such as an unmanned aerial vehicle (UAV) operating in 3D environments, to plan and execute coverage trajectories that…

3D Multi-Object Tracking (MOT) is an important part of the unmanned vehicle perception module. Most methods optimize object detection and data association independently. These methods make the network structure complicated and limit the…

Unified 2D and 3D radio map construction supports network planning, wireless digital twins, and unmanned aerial vehicle (UAV) applications. In urban environments, blockage, reflection, and diffraction make accurate construction expensive…

Achieving chemical accuracy in quantum simulations is often constrained by the measurement bottleneck: estimating operators requires a large number of shots, which remains costly even on fault-tolerant devices and is further exacerbated on…

This work introduces a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Our E(3) Equivariant Diffusion Model (EDM) learns to denoise a diffusion process with an equivariant network that jointly…

We introduce the Approximated Optimal Transport (AOT) technique, a novel training scheme for diffusion-based generative models. Our approach aims to approximate and integrate optimal transport into the training process, significantly…

Generating chemically valid 3D molecular conformations is critical for computational drug discovery. Classical diffusion-based models like GeoLDM perform well but require hundreds of steps, making large-scale in silico screening…

We present LOOM (Line-Ordering Optimized Maps), a fully automatic generator of geographically accurate transit maps. The input to LOOM is data about the lines of a given transit network, namely for each line, the sequence of stations it…

In recent years, 3D generation has made great strides in both academia and industry. However, generating 3D scenes from a single RGB image remains a significant challenge, as current approaches often struggle to ensure both object…

We introduce a new graph diffusion model for small molecule generation, DMol, which outperforms the state-of-the-art DiGress model in terms of validity by roughly 1.5% across all benchmarking datasets while reducing the number of diffusion…