Related papers: Diffusion Models are Molecular Dynamics Simulators
Diffusion models, emerging as powerful deep generative tools, excel in various applications. They operate through a two-steps process: introducing noise into training samples and then employing a model to convert random noise into new…
Metastable condensed matter typically fluctuates about local energy minima at the femtosecond time scale before transitioning between local minima after nanoseconds or microseconds. This vast scale separation limits the applicability of…
We propose score dynamics (SD), a general framework for learning accelerated evolution operators with large timesteps from molecular-dynamics simulations. SD is centered around scores, or derivatives of the transition log-probability with…
Diffusion Models (DMs), also referred to as score-based diffusion models, utilize neural networks to specify score functions. Unlike most other probabilistic models, DMs directly model the score functions, which makes them more flexible to…
Deep generative models, particularly denoising diffusion models, have achieved remarkable success in high-fidelity generation of architected microstructures with desired properties and styles. Nevertheless, these recent methods typically…
Diffusion models have emerged as powerful generative frameworks by progressively adding noise to data through a forward process and then reversing this process to generate realistic samples. While these models have achieved strong…
Denoising diffusion models have become ubiquitous for generative modeling. The core idea is to transport the data distribution to a Gaussian by using a diffusion. Approximate samples from the data distribution are then obtained by…
Diffusion-based methods represented as stochastic differential equations on a continuous-time domain have recently proven successful as a non-adversarial generative model. Training such models relies on denoising score matching, which can…
Transformer-based diffusion models have demonstrated remarkable performance at generating high-quality samples. However, our theoretical understanding of the reasons for this success remains limited. For instance, existing models are…
Recent empirical studies have demonstrated that diffusion models can effectively learn the image distribution and generate new samples. Remarkably, these models can achieve this even with a small number of training samples despite a large…
Denoising diffusion models have recently emerged as the predominant paradigm for generative modelling on image domains. In addition, their extension to Riemannian manifolds has facilitated a range of applications across the natural…
Real-world datasets are inherently heterogeneous, yet how per-class structural differences and sampling imbalance shape the training dynamics of diffusion models-and potentially exacerbate disparities-remains poorly understood. While models…
Diffusion models are often introduced from multiple perspectives, such as VAEs, score matching, or flow matching, accompanied by dense and technically demanding mathematics that can be difficult for beginners to grasp. One classic question…
Diffusion models are typically trained using score matching, a learning objective agnostic to the underlying noising process that guides the model. This paper argues that Markov noising processes enjoy an advantage over alternatives, as the…
Score-based generative models have demonstrated significant practical success in data-generating tasks. The models establish a diffusion process that perturbs the ground truth data to Gaussian noise and then learn the reverse process to…
Score-based stochastic denoising models have recently been demonstrated as powerful machine learning tools for conditional and unconditional image generation. The existing methods are based on a forward stochastic process wherein the…
Denoising diffusion models are a powerful type of generative models used to capture complex distributions of real-world signals. However, their applicability is limited to scenarios where training samples are readily available, which is not…
Diffusion-based generative models are extremely effective in generating high-quality images, with generated samples often surpassing the quality of those produced by other models under several metrics. One distinguishing feature of these…
We propose a novel denoising diffusion generative model for predicting nonlinear fluid fields named FluidDiff. By performing a diffusion process, the model is able to learn a complex representation of the high-dimensional dynamic system,…
The iterative and stochastic nature of diffusion models enables test-time scaling, whereby spending additional compute during denoising generates higher-fidelity samples. Increasing the number of denoising steps is the primary scaling axis,…