Related papers: Accelerating Molecular Dynamics Simulations with F…

Following our previous work (J. Phys. Chem. Lett., 2026, 17, 5, 1288-1295), we propose the DMTS-NC approach, a distilled multi-time-step (DMTS) strategy using non-conservative (NC) forces to further accelerate atomistic molecular dynamics…

Neural network potentials (NNPs) offer a powerful alternative to traditional force fields for molecular dynamics (MD) simulations. Accurate and stable MD simulations, crucial for evaluating material properties, require training data…

Diffusion Models have emerged as a leading class of generative models, yet their iterative sampling process remains computationally expensive. Timestep distillation is a promising technique to accelerate generation, but it often requires…

The computational benefits of iterative non-autoregressive transformers decrease as the number of decoding steps increases. As a remedy, we introduce Distill Multiple Steps (DiMS), a simple yet effective distillation technique to decrease…

We present a new method for making diffusion models faster to sample. The method distills many-step diffusion models into few-step models by matching conditional expectations of the clean data given noisy data along the sampling trajectory.…

Distribution Matching Distillation (DMD) distills score-based generative models into efficient one-step generators, without requiring a one-to-one correspondence with the sampling trajectories of their teachers. Yet, the limited capacity of…

Machine-learned interatomic potentials have transformed computational research in the physical sciences. Recent atomistic `foundation' models have changed the field yet again: trained on many different chemical elements and domains, these…

Techniques such as ensembling and distillation promise model quality improvements when paired with almost any base model. However, due to increased test-time cost (for ensembles) and increased complexity of the training pipeline (for…

Distillation addresses the slow sampling problem in diffusion models by creating models with smaller size or fewer steps that approximate the behavior of high-step teachers. In this work, we propose a reinforcement learning based…

Diffusion models (DMs) have been adopted across diverse fields with its remarkable abilities in capturing intricate data distributions. In this paper, we propose a Fast Diffusion Model (FDM) to significantly speed up DMs from a stochastic…

In this paper, we present the Directly Denoising Diffusion Model (DDDM): a simple and generic approach for generating realistic images with few-step sampling, while multistep sampling is still preserved for better performance. DDDMs require…

We tackle the challenging issue of aggressive fine-tuning encountered during the process of transfer learning of pre-trained language models (PLMs) with limited labeled downstream data. This problem primarily results in a decline in…

Thermally coupled distillation is a new energy-saving method, but the traditional thermally coupled distillation simulation calculation process is complicated, and the optimization method based on the traditional simulation process is…

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…

Diffusion probabilistic models (DPMs) have achieved impressive success in visual generation. While, they suffer from slow inference speed due to iterative sampling. Employing fewer sampling steps is an intuitive solution, but this will also…

Flow-based 3D generation models typically require dozens of sampling steps during inference. Though few-step distillation methods, particularly Consistency Models (CMs), have achieved substantial advancements in accelerating 2D diffusion…

Distribution Matching Distillation (DMD) facilitates efficient inference by distilling multi-step diffusion models into few-step variants. Concurrently, Reinforcement Learning (RL) has emerged as a vital tool for aligning generative models…

Discrete diffusion models (DDMs) have shown powerful generation ability for discrete data modalities like text and molecules. However, their practical application is hindered by inefficient sampling, requiring a large number of sampling…

Diffusion Models (DMs) have achieved great success in image generation and other fields. By fine sampling through the trajectory defined by the SDE/ODE solver based on a well-trained score model, DMs can generate remarkable high-quality…

Distribution matching distillation (DMD) facilitates few-step image generation by aligning a distilled student with a reference multi-step teacher. In practice, however, optimizing DMD can reduce sample diversity in few-step synthesis, and…