相关论文: A Reward-Directed Diffusion Framework for Generati…

Deep generative models have achieved tremendous success in structure-based drug design in recent years, especially for generating 3D ligand molecules that bind to specific protein pocket. Notably, diffusion models have transformed ligand…

Masked diffusion models (MDMs) offer a promising non-autoregressive alternative for large language modeling. Standard decoding methods for MDMs, such as confidence-based sampling, select tokens independently based on individual token…

Diffusion models generate samples through an iterative denoising process, guided by a neural network. While training the denoiser on real-world data is computationally demanding, the sampling procedure itself is more flexible. This…

Diffusion models are powerful tools for sampling from high-dimensional distributions by progressively transforming pure noise into structured data through a denoising process. When equipped with a guidance mechanism, these models can also…

Diffusion models have shown promising generative capabilities across diverse domains, yet aligning their outputs with desired reward functions remains a challenge, particularly in cases where reward functions are non-differentiable. Some…

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…

We argue that the theory and practice of diffusion-based generative models are currently unnecessarily convoluted and seek to remedy the situation by presenting a design space that clearly separates the concrete design choices. This lets us…

Recent advances in one-step text-to-image generation have enabled real-time synthesis with remarkable efficiency and quality. Previous reinforcement learning methods for one-step generators combine image-space reward optimization with…

Reinforcement Learning (RL) models have continually evolved to navigate the exploration - exploitation trade-off in uncertain Markov Decision Processes (MDPs). In this study, I leverage the principles of stochastic thermodynamics and system…

Diffusion Models have become a cornerstone of modern generative AI for their exceptional generation quality and controllability. However, their inherent \textit{multi-step iterations} and \textit{complex backbone networks} lead to…

Model-based reinforcement learning methods often use learning only for the purpose of estimating an approximate dynamics model, offloading the rest of the decision-making work to classical trajectory optimizers. While conceptually simple,…

Generative models have had a profound impact on vision and language, paving the way for a new era of multimodal generative applications. While these successes have inspired researchers to explore using generative models in science and…

We present a generative modeling framework for synthesizing physically feasible two-dimensional incompressible flows under arbitrary obstacle geometries and boundary conditions. Whereas existing diffusion-based flow generators either ignore…

Diffusion models have become a central paradigm for image and multimodal generation, yet their deployment raises persistent questions about alignment, safety, preference satisfaction, and robustness to misuse. This survey reviews recent…

While diffusion models can successfully generate data and make predictions, they are predominantly designed for static images. We propose an approach for efficiently training diffusion models for probabilistic spatiotemporal forecasting,…

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

The reconstruction of unsteady flow fields from limited measurements is a challenging and crucial task for many engineering applications. Machine learning models are gaining popularity for solving this problem due to their ability to learn…

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is…

Recent advances in generative models have shown promise in generating behavior plans for long-horizon, sparse reward tasks. While these approaches have achieved promising results, they often lack a principled framework for hierarchical…

In aerodynamic shape optimization, the convergence and computational cost are greatly affected by the representation capacity and compactness of the design space. Previous research has demonstrated that using a deep generative model to…