相关论文: Compositional Flows for 3D Molecule and Synthesis …

Chip placement plays an important role in physical design. While generative models like diffusion models offer promising learning-based solutions, current methods have the following limitations: they use random synthetic data for…

In this work we present CppFlow - a novel and performant planner for the Cartesian Path Planning problem, which finds valid trajectories up to 129x faster than current methods, while also succeeding on more difficult problems where others…

Flow matching (FM) has shown promising results in data-driven planning. However, it inherently lacks formal guarantees for ensuring state and action constraints, whose satisfaction is a fundamental and crucial requirement for the safety and…

Flow models are effective at progressively generating realistic images, but they generally struggle to capture long-range dependencies during the generation process as they compress all the information from previous time steps into a single…

With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

Flow-matching models deliver state-of-the-art fidelity in image and video generation, but the inherent sequential denoising process renders them slower. Existing acceleration methods like distillation, trajectory truncation, and consistency…

The pedestrian trajectory prediction task is an essential component of intelligent systems. Its applications include but are not limited to autonomous driving, robot navigation, and anomaly detection of monitoring systems. Due to the…

Diffusion and flow-based generative models have achieved remarkable success in domains such as image synthesis, video generation, and natural language modeling. In this work, we extend these advances to weight space learning by leveraging…

Discovering new drug molecules is a pivotal yet challenging process due to the near-infinitely large chemical space and notorious demands on time and resources. Numerous generative models have recently been introduced to accelerate the drug…

The application of generative models for experimental drug discovery campaigns is severely limited by the difficulty of designing molecules de novo that can be synthesized in practice. Previous works have leveraged Generative Flow Networks…

We study a fundamental problem in structure-based drug design -- generating molecules that bind to specific protein binding sites. While we have witnessed the great success of deep generative models in drug design, the existing methods are…

Recent advances in generative models have produced strong results for static 3D shapes, whereas articulated 3D generation remains challenging due to action-dependent deformations and limited datasets. We introduce ArticFlow, a two-stage…

Human trajectory forecasting is important for intelligent multimedia systems operating in visually complex environments, such as autonomous driving and crowd surveillance. Although Conditional Flow Matching (CFM) has shown strong ability in…

Defect segmentation is central to computer vision based inspection of infrastructure assets during both construction and operation. However, deployment remains limited due to scarce pixel-level labels and domain shift across environments.…

Strong semantic representations improve the convergence and generation quality of diffusion and flow models. Existing approaches largely rely on external models, which require separate training, operate on misaligned objectives, and exhibit…

Generative art unlocks boundless creative possibilities, yet its full potential remains untapped due to the technical expertise required for advanced architectural concepts and computational workflows. To bridge this gap, we present…

Generative AI has the potential to revolutionize drug discovery. Yet, despite recent advances in deep learning, existing models cannot generate molecules that satisfy all desired physicochemical properties. Herein, we describe IDOLpro, a…

Finding drug-like compounds with high bioactivity is essential for drug discovery, but the task is complicated by the high cost of chemical synthesis and validation. With their outstanding performance in de novo drug design, deep generative…

Despite the great popularity of virtual screening of existing compound libraries, the search for new potential drug candidates also takes advantage of generative protocols, where new compound suggestions are enumerated using various…

Diffusion models approximate the denoising distribution as a Gaussian and predict its mean, whereas flow matching models reparameterize the Gaussian mean as flow velocity. However, they underperform in few-step sampling due to…