相关论文: MDDM: A Molecular Dynamics Diffusion Model to Pred…

Diffusion models have shown remarkable performance on many generative tasks. Despite recent success, most diffusion models are restricted in that they only allow linear transformation of the data distribution. In contrast, broader family of…

This paper introduces a Multi-modal Diffusion model for Motion Prediction (MDMP) that integrates and synchronizes skeletal data and textual descriptions of actions to generate refined long-term motion predictions with quantifiable…

Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…

Generative models of graphs based on discrete Denoising Diffusion Probabilistic Models (DDPMs) offer a principled approach to molecular generation by systematically removing structural noise through iterative atom and bond adjustments.…

We propose the Binary Diffusion Probabilistic Model (BDPM), a generative framework specifically designed for data representations in binary form. Conventional denoising diffusion probabilistic models (DDPMs) assume continuous inputs, use…

Motion prediction is a challenging problem in autonomous driving as it demands the system to comprehend stochastic dynamics and the multi-modal nature of real-world agent interactions. Diffusion models have recently risen to prominence, and…

Trajectory prediction is a fundamental task in Autonomous Vehicles (AVs) and Intelligent Transportation Systems (ITS), supporting efficient motion planning and real-time traffic safety management. Diffusion models have recently demonstrated…

Computational fluid dynamics (CFD) is a powerful tool for modeling turbulent flow and is commonly used for urban microclimate simulations. However, traditional CFD methods are computationally intensive, requiring substantial hardware…

Denoising diffusion models (DDMs) have recently attracted increasing attention by showing impressive synthesis quality. DDMs are built on a diffusion process that pushes data to the noise distribution and the models learn to denoise. In…

This paper develops a smooth model identification and self-learning strategy for dynamic systems taking into account possible parameter variations and uncertainties. We have tried to solve the problem such that the model follows the changes…

Generating molecular dynamics (MD) trajectories using deep generative models has attracted increasing attention, yet remains inherently challenging due to the limited availability of MD data and the complexities involved in modeling…

Despite their outstanding performance in a broad spectrum of real-world tasks, deep artificial neural networks are sensitive to input noises, particularly adversarial perturbations. On the contrary, human and animal brains are much less…

Diffusion-based generative models have recently emerged as powerful solutions for high-quality synthesis in multiple domains. Leveraging the bidirectional Markov chains, diffusion probabilistic models generate samples by inferring the…

In this paper, we propose the Adversarial Denoising Diffusion Model (ADDM). The ADDM is based on the Denoising Diffusion Probabilistic Model (DDPM) but complementarily trained by adversarial learning. The proposed adversarial learning is…

The diffusion model has recently emerged as a potent approach in computer vision, demonstrating remarkable performances in the field of generative artificial intelligence. Capable of producing high-quality synthetic images, diffusion models…

Generative AIBIM, a successful structural design pipeline, has proven its ability to intelligently generate high-quality, diverse, and creative shear wall designs that are tailored to specific physical conditions. However, the current…

This work introduces MiDi, a novel diffusion model for jointly generating molecular graphs and their corresponding 3D arrangement of atoms. Unlike existing methods that rely on predefined rules to determine molecular bonds based on the 3D…

Generative modeling of discrete data underlies important applications spanning text-based agents like ChatGPT to the design of the very building blocks of life in protein sequences. However, application domains need to exert control over…

Anomaly detection is a fundamental task in machine learning and data mining, with significant applications in cybersecurity, industrial fault diagnosis, and clinical disease monitoring. Traditional methods, such as statistical modeling and…

n this work, we propose a latent molecular diffusion model that can make the generated 3D molecules rich in diversity and maintain rich geometric features. The model captures the information of the forces and local constraints between atoms…